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= -0.482 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.544 USER MOD Single : A 3 A O2' : rot -12:sc= -0.932 USER MOD Single : A 4 G O2' : rot -17:sc= -0.606 USER MOD Single : A 5 U O2' : rot -5:sc= 0.135 USER MOD Single : A 6 U O2' : rot -17:sc= -0.445 USER MOD Single : A 7 C O2' : rot -10:sc= -0.439 USER MOD Single : A 8 C O2' : rot -28:sc= 0.187 USER MOD Single : A 8 C O3' : rot 180:sc= 0.192 USER MOD Single : B 9 G O2' : rot 180:sc= -0.478 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00386 USER MOD Single : B 10 G O2' : rot 180:sc= -0.522 USER MOD Single : B 11 A O2' : rot -10:sc= -0.96 USER MOD Single : B 12 G O2' : rot -24:sc= -0.608 USER MOD Single : B 13 U O2' : rot -7:sc= 0.139 USER MOD Single : B 14 U O2' : rot -14:sc= -0.451 USER MOD Single : B 15 C O2' : rot -8:sc= -0.457 USER MOD Single : B 16 C O2' : rot -37:sc= 0.189 USER MOD Single : B 16 C O3' : rot 180:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.104 -8.049 3.763 1.00 0.00 O ATOM 2 C5' G A 1 6.476 -8.336 3.616 1.00 0.00 C ATOM 3 C4' G A 1 7.243 -7.061 3.257 1.00 0.00 C ATOM 4 O4' G A 1 6.783 -6.501 2.026 1.00 0.00 O ATOM 5 C3' G A 1 7.062 -5.957 4.280 1.00 0.00 C ATOM 6 O3' G A 1 7.836 -6.152 5.446 1.00 0.00 O ATOM 7 C2' G A 1 7.543 -4.777 3.475 1.00 0.00 C ATOM 8 O2' G A 1 8.952 -4.799 3.377 1.00 0.00 O ATOM 9 C1' G A 1 6.957 -5.074 2.103 1.00 0.00 C ATOM 10 N9 G A 1 5.656 -4.389 1.959 1.00 0.00 N ATOM 11 C8 G A 1 4.388 -4.895 2.096 1.00 0.00 C ATOM 12 N7 G A 1 3.444 -4.017 1.901 1.00 0.00 N ATOM 13 C5 G A 1 4.132 -2.843 1.615 1.00 0.00 C ATOM 14 C6 G A 1 3.637 -1.540 1.315 1.00 0.00 C ATOM 15 O6 G A 1 2.468 -1.166 1.243 1.00 0.00 O ATOM 16 N1 G A 1 4.671 -0.638 1.085 1.00 0.00 N ATOM 17 C2 G A 1 6.014 -0.945 1.141 1.00 0.00 C ATOM 18 N2 G A 1 6.870 0.054 0.903 1.00 0.00 N ATOM 19 N3 G A 1 6.482 -2.166 1.422 1.00 0.00 N ATOM 20 C4 G A 1 5.488 -3.062 1.647 1.00 0.00 C ATOM 0 H5' G A 1 6.617 -9.086 2.838 1.00 0.00 H new ATOM 0 H5'' G A 1 6.869 -8.758 4.541 1.00 0.00 H new ATOM 0 H4' G A 1 8.284 -7.378 3.204 1.00 0.00 H new ATOM 0 H3' G A 1 6.049 -5.871 4.674 1.00 0.00 H new ATOM 0 H2' G A 1 7.259 -3.814 3.899 1.00 0.00 H new ATOM 0 HO2' G A 1 9.255 -4.029 2.851 1.00 0.00 H new ATOM 0 HO5' G A 1 4.621 -8.870 3.991 1.00 0.00 H new ATOM 0 H1' G A 1 7.611 -4.721 1.306 1.00 0.00 H new ATOM 0 H8 G A 1 4.190 -5.927 2.343 1.00 0.00 H new ATOM 0 H1 G A 1 4.416 0.323 0.858 1.00 0.00 H new ATOM 0 H21 G A 1 7.875 -0.118 0.932 1.00 0.00 H new ATOM 0 H22 G A 1 6.518 0.988 0.693 1.00 0.00 H new ATOM 33 P G A 2 7.618 -5.213 6.745 1.00 0.00 P ATOM 34 OP1 G A 2 8.532 -5.683 7.809 1.00 0.00 O ATOM 35 OP2 G A 2 6.164 -5.136 7.008 1.00 0.00 O ATOM 36 O5' G A 2 8.116 -3.753 6.264 1.00 0.00 O ATOM 37 C5' G A 2 9.492 -3.464 6.130 1.00 0.00 C ATOM 38 C4' G A 2 9.688 -1.999 5.723 1.00 0.00 C ATOM 39 O4' G A 2 9.088 -1.690 4.463 1.00 0.00 O ATOM 40 C3' G A 2 9.071 -1.030 6.707 1.00 0.00 C ATOM 41 O3' G A 2 9.836 -0.871 7.886 1.00 0.00 O ATOM 42 C2' G A 2 9.076 0.214 5.865 1.00 0.00 C ATOM 43 O2' G A 2 10.395 0.699 5.723 1.00 0.00 O ATOM 44 C1' G A 2 8.613 -0.331 4.531 1.00 0.00 C ATOM 45 N9 G A 2 7.144 -0.331 4.443 1.00 0.00 N ATOM 46 C8 G A 2 6.288 -1.382 4.608 1.00 0.00 C ATOM 47 N7 G A 2 5.033 -1.082 4.412 1.00 0.00 N ATOM 48 C5 G A 2 5.061 0.272 4.088 1.00 0.00 C ATOM 49 C6 G A 2 3.993 1.157 3.750 1.00 0.00 C ATOM 50 O6 G A 2 2.791 0.912 3.680 1.00 0.00 O ATOM 51 N1 G A 2 4.458 2.439 3.477 1.00 0.00 N ATOM 52 C2 G A 2 5.781 2.825 3.512 1.00 0.00 C ATOM 53 N2 G A 2 6.042 4.103 3.219 1.00 0.00 N ATOM 54 N3 G A 2 6.786 1.997 3.823 1.00 0.00 N ATOM 55 C4 G A 2 6.353 0.740 4.100 1.00 0.00 C ATOM 0 H5' G A 2 9.938 -4.120 5.382 1.00 0.00 H new ATOM 0 H5'' G A 2 10.005 -3.659 7.071 1.00 0.00 H new ATOM 0 H4' G A 2 10.772 -1.887 5.684 1.00 0.00 H new ATOM 0 H3' G A 2 8.099 -1.336 7.093 1.00 0.00 H new ATOM 0 H2' G A 2 8.475 1.028 6.271 1.00 0.00 H new ATOM 0 HO2' G A 2 10.388 1.509 5.172 1.00 0.00 H new ATOM 0 H1' G A 2 8.995 0.283 3.715 1.00 0.00 H new ATOM 0 H8 G A 2 6.620 -2.374 4.877 1.00 0.00 H new ATOM 0 H1 G A 2 3.767 3.148 3.232 1.00 0.00 H new ATOM 0 H21 G A 2 7.004 4.443 3.230 1.00 0.00 H new ATOM 0 H22 G A 2 5.279 4.738 2.985 1.00 0.00 H new ATOM 67 P A A 3 9.216 -0.120 9.177 1.00 0.00 P ATOM 68 OP1 A A 3 10.275 -0.024 10.206 1.00 0.00 O ATOM 69 OP2 A A 3 7.931 -0.774 9.507 1.00 0.00 O ATOM 70 O5' A A 3 8.894 1.370 8.646 1.00 0.00 O ATOM 71 C5' A A 3 9.929 2.304 8.427 1.00 0.00 C ATOM 72 C4' A A 3 9.335 3.633 7.946 1.00 0.00 C ATOM 73 O4' A A 3 8.617 3.499 6.724 1.00 0.00 O ATOM 74 C3' A A 3 8.363 4.225 8.943 1.00 0.00 C ATOM 75 O3' A A 3 9.033 4.877 10.005 1.00 0.00 O ATOM 76 C2' A A 3 7.626 5.206 8.061 1.00 0.00 C ATOM 77 O2' A A 3 8.439 6.336 7.822 1.00 0.00 O ATOM 78 C1' A A 3 7.520 4.427 6.747 1.00 0.00 C ATOM 79 N9 A A 3 6.271 3.659 6.711 1.00 0.00 N ATOM 80 C8 A A 3 6.099 2.323 6.924 1.00 0.00 C ATOM 81 N7 A A 3 4.866 1.919 6.799 1.00 0.00 N ATOM 82 C5 A A 3 4.174 3.080 6.465 1.00 0.00 C ATOM 83 C6 A A 3 2.822 3.334 6.175 1.00 0.00 C ATOM 84 N6 A A 3 1.876 2.388 6.199 1.00 0.00 N ATOM 85 N1 A A 3 2.480 4.594 5.849 1.00 0.00 N ATOM 86 C2 A A 3 3.421 5.534 5.820 1.00 0.00 C ATOM 87 N3 A A 3 4.717 5.423 6.076 1.00 0.00 N ATOM 88 C4 A A 3 5.028 4.145 6.398 1.00 0.00 C ATOM 0 H5' A A 3 10.629 1.918 7.686 1.00 0.00 H new ATOM 0 H5'' A A 3 10.493 2.459 9.347 1.00 0.00 H new ATOM 0 H4' A A 3 10.201 4.282 7.816 1.00 0.00 H new ATOM 0 H3' A A 3 7.725 3.496 9.442 1.00 0.00 H new ATOM 0 H2' A A 3 6.680 5.546 8.483 1.00 0.00 H new ATOM 0 HO2' A A 3 9.210 6.318 8.427 1.00 0.00 H new ATOM 0 H1' A A 3 7.540 5.112 5.899 1.00 0.00 H new ATOM 0 H8 A A 3 6.913 1.658 7.174 1.00 0.00 H new ATOM 0 H61 A A 3 0.909 2.628 5.980 1.00 0.00 H new ATOM 0 H62 A A 3 2.122 1.427 6.436 1.00 0.00 H new ATOM 0 H2 A A 3 3.083 6.524 5.551 1.00 0.00 H new ATOM 100 P G A 4 8.256 5.251 11.366 1.00 0.00 P ATOM 101 OP1 G A 4 9.166 6.056 12.209 1.00 0.00 O ATOM 102 OP2 G A 4 7.663 4.008 11.906 1.00 0.00 O ATOM 103 O5' G A 4 7.054 6.200 10.875 1.00 0.00 O ATOM 104 C5' G A 4 7.287 7.535 10.474 1.00 0.00 C ATOM 105 C4' G A 4 5.968 8.180 10.118 1.00 0.00 C ATOM 106 O4' G A 4 5.376 7.541 9.001 1.00 0.00 O ATOM 107 C3' G A 4 4.964 8.041 11.214 1.00 0.00 C ATOM 108 O3' G A 4 5.228 8.919 12.295 1.00 0.00 O ATOM 109 C2' G A 4 3.743 8.444 10.439 1.00 0.00 C ATOM 110 O2' G A 4 3.768 9.836 10.197 1.00 0.00 O ATOM 111 C1' G A 4 3.971 7.727 9.119 1.00 0.00 C ATOM 112 N9 G A 4 3.274 6.427 9.094 1.00 0.00 N ATOM 113 C8 G A 4 3.789 5.166 9.246 1.00 0.00 C ATOM 114 N7 G A 4 2.902 4.214 9.130 1.00 0.00 N ATOM 115 C5 G A 4 1.710 4.895 8.886 1.00 0.00 C ATOM 116 C6 G A 4 0.387 4.396 8.674 1.00 0.00 C ATOM 117 O6 G A 4 -0.005 3.229 8.647 1.00 0.00 O ATOM 118 N1 G A 4 -0.519 5.429 8.485 1.00 0.00 N ATOM 119 C2 G A 4 -0.209 6.769 8.481 1.00 0.00 C ATOM 120 N2 G A 4 -1.223 7.616 8.276 1.00 0.00 N ATOM 121 N3 G A 4 1.025 7.241 8.669 1.00 0.00 N ATOM 122 C4 G A 4 1.932 6.251 8.868 1.00 0.00 C ATOM 0 H5' G A 4 7.961 7.558 9.617 1.00 0.00 H new ATOM 0 H5'' G A 4 7.773 8.090 11.277 1.00 0.00 H new ATOM 0 H4' G A 4 6.202 9.226 9.923 1.00 0.00 H new ATOM 0 H3' G A 4 4.919 7.066 11.699 1.00 0.00 H new ATOM 0 H2' G A 4 2.804 8.210 10.940 1.00 0.00 H new ATOM 0 HO2' G A 4 4.412 10.261 10.801 1.00 0.00 H new ATOM 0 H1' G A 4 3.576 8.311 8.288 1.00 0.00 H new ATOM 0 H8 G A 4 4.834 4.977 9.444 1.00 0.00 H new ATOM 0 H1 G A 4 -1.495 5.174 8.337 1.00 0.00 H new ATOM 0 H21 G A 4 -1.053 8.622 8.263 1.00 0.00 H new ATOM 0 H22 G A 4 -2.167 7.257 8.133 1.00 0.00 H new ATOM 134 P U A 5 4.514 8.714 13.725 1.00 0.00 P ATOM 135 OP1 U A 5 4.815 9.895 14.565 1.00 0.00 O ATOM 136 OP2 U A 5 4.854 7.360 14.213 1.00 0.00 O ATOM 137 O5' U A 5 2.945 8.734 13.375 1.00 0.00 O ATOM 138 C5' U A 5 2.278 9.930 13.034 1.00 0.00 C ATOM 139 C4' U A 5 0.814 9.602 12.729 1.00 0.00 C ATOM 140 O4' U A 5 0.693 8.686 11.645 1.00 0.00 O ATOM 141 C3' U A 5 0.152 8.934 13.920 1.00 0.00 C ATOM 142 O3' U A 5 -0.322 9.876 14.873 1.00 0.00 O ATOM 143 C2' U A 5 -0.964 8.182 13.272 1.00 0.00 C ATOM 144 O2' U A 5 -2.066 9.042 13.063 1.00 0.00 O ATOM 145 C1' U A 5 -0.385 7.784 11.930 1.00 0.00 C ATOM 146 N1 U A 5 0.105 6.387 11.937 1.00 0.00 N ATOM 147 C2 U A 5 -0.819 5.384 11.685 1.00 0.00 C ATOM 148 O2 U A 5 -2.009 5.628 11.500 1.00 0.00 O ATOM 149 N3 U A 5 -0.327 4.087 11.650 1.00 0.00 N ATOM 150 C4 U A 5 1.005 3.723 11.803 1.00 0.00 C ATOM 151 O4 U A 5 1.341 2.543 11.761 1.00 0.00 O ATOM 152 C5 U A 5 1.902 4.846 12.001 1.00 0.00 C ATOM 153 C6 U A 5 1.435 6.104 12.063 1.00 0.00 C ATOM 0 H5' U A 5 2.750 10.393 12.168 1.00 0.00 H new ATOM 0 H5'' U A 5 2.343 10.646 13.853 1.00 0.00 H new ATOM 0 H4' U A 5 0.338 10.552 12.485 1.00 0.00 H new ATOM 0 H3' U A 5 0.829 8.304 14.496 1.00 0.00 H new ATOM 0 H2' U A 5 -1.312 7.338 13.868 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.882 9.914 13.470 1.00 0.00 H new ATOM 0 H1' U A 5 -1.159 7.841 11.165 1.00 0.00 H new ATOM 0 H3 U A 5 -1.001 3.337 11.499 1.00 0.00 H new ATOM 0 H5 U A 5 2.963 4.668 12.100 1.00 0.00 H new ATOM 0 H6 U A 5 2.131 6.915 12.217 1.00 0.00 H new ATOM 164 P U A 6 -0.890 9.396 16.314 1.00 0.00 P ATOM 165 OP1 U A 6 -1.042 10.597 17.166 1.00 0.00 O ATOM 166 OP2 U A 6 -0.046 8.274 16.778 1.00 0.00 O ATOM 167 O5' U A 6 -2.372 8.812 16.010 1.00 0.00 O ATOM 168 C5' U A 6 -3.494 9.673 15.872 1.00 0.00 C ATOM 169 C4' U A 6 -4.784 8.836 15.764 1.00 0.00 C ATOM 170 O4' U A 6 -4.808 8.056 14.574 1.00 0.00 O ATOM 171 C3' U A 6 -4.924 7.845 16.907 1.00 0.00 C ATOM 172 O3' U A 6 -5.417 8.433 18.096 1.00 0.00 O ATOM 173 C2' U A 6 -5.928 6.903 16.310 1.00 0.00 C ATOM 174 O2' U A 6 -7.211 7.492 16.334 1.00 0.00 O ATOM 175 C1' U A 6 -5.468 6.817 14.874 1.00 0.00 C ATOM 176 N1 U A 6 -4.524 5.698 14.690 1.00 0.00 N ATOM 177 C2 U A 6 -5.038 4.423 14.512 1.00 0.00 C ATOM 178 O2 U A 6 -6.242 4.184 14.582 1.00 0.00 O ATOM 179 N3 U A 6 -4.112 3.427 14.245 1.00 0.00 N ATOM 180 C4 U A 6 -2.741 3.599 14.127 1.00 0.00 C ATOM 181 O4 U A 6 -2.008 2.645 13.884 1.00 0.00 O ATOM 182 C5 U A 6 -2.304 4.963 14.313 1.00 0.00 C ATOM 183 C6 U A 6 -3.193 5.940 14.588 1.00 0.00 C ATOM 0 H5' U A 6 -3.379 10.296 14.985 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.556 10.345 16.728 1.00 0.00 H new ATOM 0 H4' U A 6 -5.593 9.567 15.779 1.00 0.00 H new ATOM 0 H3' U A 6 -3.982 7.397 17.223 1.00 0.00 H new ATOM 0 H2' U A 6 -5.991 5.946 16.829 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.213 8.247 16.959 1.00 0.00 H new ATOM 0 H1' U A 6 -6.318 6.644 14.214 1.00 0.00 H new ATOM 0 H3 U A 6 -4.472 2.480 14.124 1.00 0.00 H new ATOM 0 H5 U A 6 -1.254 5.204 14.231 1.00 0.00 H new ATOM 0 H6 U A 6 -2.833 6.948 14.732 1.00 0.00 H new ATOM 194 P C A 7 -5.376 7.621 19.494 1.00 0.00 P ATOM 195 OP1 C A 7 -6.055 8.442 20.521 1.00 0.00 O ATOM 196 OP2 C A 7 -3.983 7.177 19.716 1.00 0.00 O ATOM 197 O5' C A 7 -6.279 6.305 19.225 1.00 0.00 O ATOM 198 C5' C A 7 -7.693 6.366 19.239 1.00 0.00 C ATOM 199 C4' C A 7 -8.273 4.956 19.049 1.00 0.00 C ATOM 200 O4' C A 7 -7.899 4.377 17.792 1.00 0.00 O ATOM 201 C3' C A 7 -7.761 3.991 20.099 1.00 0.00 C ATOM 202 O3' C A 7 -8.430 4.137 21.338 1.00 0.00 O ATOM 203 C2' C A 7 -8.090 2.678 19.435 1.00 0.00 C ATOM 204 O2' C A 7 -9.475 2.421 19.543 1.00 0.00 O ATOM 205 C1' C A 7 -7.767 2.951 17.979 1.00 0.00 C ATOM 206 N1 C A 7 -6.388 2.505 17.644 1.00 0.00 N ATOM 207 C2 C A 7 -6.204 1.162 17.323 1.00 0.00 C ATOM 208 O2 C A 7 -7.147 0.376 17.372 1.00 0.00 O ATOM 209 N3 C A 7 -4.957 0.752 16.955 1.00 0.00 N ATOM 210 C4 C A 7 -3.935 1.618 16.902 1.00 0.00 C ATOM 211 N4 C A 7 -2.731 1.175 16.526 1.00 0.00 N ATOM 212 C5 C A 7 -4.114 3.003 17.227 1.00 0.00 C ATOM 213 C6 C A 7 -5.353 3.392 17.587 1.00 0.00 C ATOM 0 H5' C A 7 -8.046 7.025 18.446 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.039 6.788 20.182 1.00 0.00 H new ATOM 0 H4' C A 7 -9.352 5.092 19.116 1.00 0.00 H new ATOM 0 H3' C A 7 -6.712 4.124 20.362 1.00 0.00 H new ATOM 0 H2' C A 7 -7.555 1.832 19.867 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.881 3.068 20.157 1.00 0.00 H new ATOM 0 H1' C A 7 -8.442 2.401 17.323 1.00 0.00 H new ATOM 0 H41 C A 7 -1.942 1.820 16.480 1.00 0.00 H new ATOM 0 H42 C A 7 -2.602 0.192 16.285 1.00 0.00 H new ATOM 0 H5 C A 7 -3.293 3.703 17.185 1.00 0.00 H new ATOM 0 H6 C A 7 -5.530 4.428 17.836 1.00 0.00 H new ATOM 225 P C A 8 -7.869 3.414 22.669 1.00 0.00 P ATOM 226 OP1 C A 8 -8.813 3.684 23.776 1.00 0.00 O ATOM 227 OP2 C A 8 -6.442 3.776 22.817 1.00 0.00 O ATOM 228 O5' C A 8 -7.948 1.845 22.315 1.00 0.00 O ATOM 229 C5' C A 8 -9.175 1.146 22.352 1.00 0.00 C ATOM 230 C4' C A 8 -8.935 -0.306 21.931 1.00 0.00 C ATOM 231 O4' C A 8 -8.400 -0.388 20.613 1.00 0.00 O ATOM 232 C3' C A 8 -7.906 -0.982 22.810 1.00 0.00 C ATOM 233 O3' C A 8 -8.443 -1.404 24.044 1.00 0.00 O ATOM 234 C2' C A 8 -7.521 -2.155 21.946 1.00 0.00 C ATOM 235 O2' C A 8 -8.470 -3.191 22.096 1.00 0.00 O ATOM 236 C1' C A 8 -7.609 -1.586 20.530 1.00 0.00 C ATOM 237 N1 C A 8 -6.235 -1.277 20.062 1.00 0.00 N ATOM 238 C2 C A 8 -5.495 -2.310 19.497 1.00 0.00 C ATOM 239 O2 C A 8 -6.000 -3.419 19.334 1.00 0.00 O ATOM 240 N3 C A 8 -4.204 -2.058 19.140 1.00 0.00 N ATOM 241 C4 C A 8 -3.660 -0.847 19.334 1.00 0.00 C ATOM 242 N4 C A 8 -2.392 -0.641 18.966 1.00 0.00 N ATOM 243 C5 C A 8 -4.408 0.218 19.931 1.00 0.00 C ATOM 244 C6 C A 8 -5.685 -0.050 20.274 1.00 0.00 C ATOM 0 H5' C A 8 -9.897 1.617 21.685 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.598 1.182 23.356 1.00 0.00 H new ATOM 0 H4' C A 8 -9.910 -0.788 22.006 1.00 0.00 H new ATOM 0 H3' C A 8 -7.078 -0.334 23.097 1.00 0.00 H new ATOM 0 H2' C A 8 -6.543 -2.570 22.191 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.880 -3.133 22.984 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.742 -1.836 24.575 1.00 0.00 H new ATOM 0 H1' C A 8 -8.063 -2.287 19.829 1.00 0.00 H new ATOM 0 H41 C A 8 -1.962 0.273 19.106 1.00 0.00 H new ATOM 0 H42 C A 8 -1.854 -1.398 18.545 1.00 0.00 H new ATOM 0 H5 C A 8 -3.970 1.191 20.099 1.00 0.00 H new ATOM 0 H6 C A 8 -6.284 0.726 20.727 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.450 -8.858 15.779 1.00 0.00 O ATOM 259 C5' G B 9 2.868 -10.134 15.919 1.00 0.00 C ATOM 260 C4' G B 9 1.392 -9.998 16.303 1.00 0.00 C ATOM 261 O4' G B 9 1.235 -9.312 17.545 1.00 0.00 O ATOM 262 C3' G B 9 0.596 -9.183 15.303 1.00 0.00 C ATOM 263 O3' G B 9 0.274 -9.906 14.132 1.00 0.00 O ATOM 264 C2' G B 9 -0.625 -8.879 16.131 1.00 0.00 C ATOM 265 O2' G B 9 -1.444 -10.027 16.228 1.00 0.00 O ATOM 266 C1' G B 9 -0.017 -8.601 17.497 1.00 0.00 C ATOM 267 N9 G B 9 0.210 -7.149 17.653 1.00 0.00 N ATOM 268 C8 G B 9 1.372 -6.432 17.519 1.00 0.00 C ATOM 269 N7 G B 9 1.231 -5.152 17.726 1.00 0.00 N ATOM 270 C5 G B 9 -0.122 -5.007 18.017 1.00 0.00 C ATOM 271 C6 G B 9 -0.872 -3.835 18.330 1.00 0.00 C ATOM 272 O6 G B 9 -0.475 -2.675 18.410 1.00 0.00 O ATOM 273 N1 G B 9 -2.212 -4.130 18.561 1.00 0.00 N ATOM 274 C2 G B 9 -2.766 -5.391 18.495 1.00 0.00 C ATOM 275 N2 G B 9 -4.077 -5.485 18.737 1.00 0.00 N ATOM 276 N3 G B 9 -2.066 -6.492 18.203 1.00 0.00 N ATOM 277 C4 G B 9 -0.754 -6.226 17.976 1.00 0.00 C ATOM 0 H5' G B 9 3.400 -10.703 16.682 1.00 0.00 H new ATOM 0 H5'' G B 9 2.960 -10.689 14.985 1.00 0.00 H new ATOM 0 H4' G B 9 1.029 -11.025 16.348 1.00 0.00 H new ATOM 0 H3' G B 9 1.123 -8.313 14.912 1.00 0.00 H new ATOM 0 H2' G B 9 -1.237 -8.073 15.726 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.235 -9.820 16.769 1.00 0.00 H new ATOM 0 HO5' G B 9 4.394 -8.954 15.535 1.00 0.00 H new ATOM 0 H1' G B 9 -0.677 -8.925 18.302 1.00 0.00 H new ATOM 0 H8 G B 9 2.318 -6.887 17.265 1.00 0.00 H new ATOM 0 H1 G B 9 -2.831 -3.355 18.797 1.00 0.00 H new ATOM 0 H21 G B 9 -4.538 -6.394 18.701 1.00 0.00 H new ATOM 0 H22 G B 9 -4.616 -4.648 18.957 1.00 0.00 H new ATOM 290 P G B 10 -0.370 -9.156 12.852 1.00 0.00 P ATOM 291 OP1 G B 10 -0.545 -10.155 11.775 1.00 0.00 O ATOM 292 OP2 G B 10 0.424 -7.934 12.597 1.00 0.00 O ATOM 293 O5' G B 10 -1.836 -8.702 13.357 1.00 0.00 O ATOM 294 C5' G B 10 -2.879 -9.644 13.494 1.00 0.00 C ATOM 295 C4' G B 10 -4.178 -8.943 13.913 1.00 0.00 C ATOM 296 O4' G B 10 -4.069 -8.282 15.176 1.00 0.00 O ATOM 297 C3' G B 10 -4.605 -7.870 12.934 1.00 0.00 C ATOM 298 O3' G B 10 -5.208 -8.394 11.768 1.00 0.00 O ATOM 299 C2' G B 10 -5.593 -7.122 13.787 1.00 0.00 C ATOM 300 O2' G B 10 -6.781 -7.873 13.937 1.00 0.00 O ATOM 301 C1' G B 10 -4.869 -7.084 15.115 1.00 0.00 C ATOM 302 N9 G B 10 -3.984 -5.910 15.201 1.00 0.00 N ATOM 303 C8 G B 10 -2.630 -5.858 15.034 1.00 0.00 C ATOM 304 N7 G B 10 -2.114 -4.677 15.234 1.00 0.00 N ATOM 305 C5 G B 10 -3.211 -3.886 15.564 1.00 0.00 C ATOM 306 C6 G B 10 -3.274 -2.502 15.908 1.00 0.00 C ATOM 307 O6 G B 10 -2.353 -1.691 15.981 1.00 0.00 O ATOM 308 N1 G B 10 -4.576 -2.102 16.185 1.00 0.00 N ATOM 309 C2 G B 10 -5.682 -2.925 16.148 1.00 0.00 C ATOM 310 N2 G B 10 -6.859 -2.365 16.446 1.00 0.00 N ATOM 311 N3 G B 10 -5.626 -4.225 15.833 1.00 0.00 N ATOM 312 C4 G B 10 -4.363 -4.635 15.551 1.00 0.00 C ATOM 0 H5' G B 10 -2.606 -10.393 14.237 1.00 0.00 H new ATOM 0 H5'' G B 10 -3.029 -10.170 12.551 1.00 0.00 H new ATOM 0 H4' G B 10 -4.905 -9.754 13.954 1.00 0.00 H new ATOM 0 H3' G B 10 -3.784 -7.274 12.536 1.00 0.00 H new ATOM 0 H2' G B 10 -5.878 -6.151 13.383 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.414 -7.375 14.495 1.00 0.00 H new ATOM 0 H1' G B 10 -5.584 -7.022 15.935 1.00 0.00 H new ATOM 0 H8 G B 10 -2.038 -6.719 14.760 1.00 0.00 H new ATOM 0 H1 G B 10 -4.725 -1.124 16.435 1.00 0.00 H new ATOM 0 H21 G B 10 -7.709 -2.928 16.434 1.00 0.00 H new ATOM 0 H22 G B 10 -6.906 -1.375 16.685 1.00 0.00 H new ATOM 324 P A B 11 -5.442 -7.460 10.470 1.00 0.00 P ATOM 325 OP1 A B 11 -6.181 -8.251 9.461 1.00 0.00 O ATOM 326 OP2 A B 11 -4.144 -6.846 10.114 1.00 0.00 O ATOM 327 O5' A B 11 -6.417 -6.288 11.001 1.00 0.00 O ATOM 328 C5' A B 11 -7.788 -6.529 11.233 1.00 0.00 C ATOM 329 C4' A B 11 -8.467 -5.239 11.707 1.00 0.00 C ATOM 330 O4' A B 11 -7.919 -4.752 12.925 1.00 0.00 O ATOM 331 C3' A B 11 -8.328 -4.114 10.705 1.00 0.00 C ATOM 332 O3' A B 11 -9.236 -4.250 9.629 1.00 0.00 O ATOM 333 C2' A B 11 -8.668 -2.932 11.582 1.00 0.00 C ATOM 334 O2' A B 11 -10.060 -2.899 11.813 1.00 0.00 O ATOM 335 C1' A B 11 -7.990 -3.318 12.901 1.00 0.00 C ATOM 336 N9 A B 11 -6.624 -2.793 12.944 1.00 0.00 N ATOM 337 C8 A B 11 -5.457 -3.468 12.736 1.00 0.00 C ATOM 338 N7 A B 11 -4.388 -2.733 12.863 1.00 0.00 N ATOM 339 C5 A B 11 -4.891 -1.478 13.196 1.00 0.00 C ATOM 340 C6 A B 11 -4.273 -0.250 13.488 1.00 0.00 C ATOM 341 N6 A B 11 -2.947 -0.072 13.467 1.00 0.00 N ATOM 342 N1 A B 11 -5.068 0.787 13.812 1.00 0.00 N ATOM 343 C2 A B 11 -6.386 0.609 13.838 1.00 0.00 C ATOM 344 N3 A B 11 -7.084 -0.488 13.578 1.00 0.00 N ATOM 345 C4 A B 11 -6.256 -1.511 13.259 1.00 0.00 C ATOM 0 H5' A B 11 -7.908 -7.311 11.983 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.264 -6.887 10.320 1.00 0.00 H new ATOM 0 H4' A B 11 -9.513 -5.517 11.837 1.00 0.00 H new ATOM 0 H3' A B 11 -7.356 -4.056 10.216 1.00 0.00 H new ATOM 0 H2' A B 11 -8.366 -1.973 11.161 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.504 -3.546 11.227 1.00 0.00 H new ATOM 0 H1' A B 11 -8.550 -2.916 13.745 1.00 0.00 H new ATOM 0 H8 A B 11 -5.422 -4.519 12.488 1.00 0.00 H new ATOM 0 H61 A B 11 -2.552 0.842 13.688 1.00 0.00 H new ATOM 0 H62 A B 11 -2.332 -0.850 13.230 1.00 0.00 H new ATOM 0 H2 A B 11 -6.968 1.478 14.108 1.00 0.00 H new ATOM 357 P G B 12 -9.048 -3.397 8.276 1.00 0.00 P ATOM 358 OP1 G B 12 -10.221 -3.644 7.408 1.00 0.00 O ATOM 359 OP2 G B 12 -7.686 -3.660 7.760 1.00 0.00 O ATOM 360 O5' G B 12 -9.104 -1.869 8.773 1.00 0.00 O ATOM 361 C5' G B 12 -10.321 -1.266 9.160 1.00 0.00 C ATOM 362 C4' G B 12 -10.059 0.174 9.535 1.00 0.00 C ATOM 363 O4' G B 12 -9.203 0.255 10.662 1.00 0.00 O ATOM 364 C3' G B 12 -9.341 0.911 8.454 1.00 0.00 C ATOM 365 O3' G B 12 -10.195 1.237 7.371 1.00 0.00 O ATOM 366 C2' G B 12 -8.945 2.123 9.249 1.00 0.00 C ATOM 367 O2' G B 12 -10.081 2.927 9.495 1.00 0.00 O ATOM 368 C1' G B 12 -8.512 1.494 10.562 1.00 0.00 C ATOM 369 N9 G B 12 -7.052 1.276 10.588 1.00 0.00 N ATOM 370 C8 G B 12 -6.348 0.112 10.420 1.00 0.00 C ATOM 371 N7 G B 12 -5.055 0.254 10.540 1.00 0.00 N ATOM 372 C5 G B 12 -4.889 1.613 10.803 1.00 0.00 C ATOM 373 C6 G B 12 -3.699 2.374 11.028 1.00 0.00 C ATOM 374 O6 G B 12 -2.530 1.990 11.050 1.00 0.00 O ATOM 375 N1 G B 12 -3.987 3.714 11.234 1.00 0.00 N ATOM 376 C2 G B 12 -5.247 4.265 11.244 1.00 0.00 C ATOM 377 N2 G B 12 -5.322 5.582 11.467 1.00 0.00 N ATOM 378 N3 G B 12 -6.363 3.560 11.046 1.00 0.00 N ATOM 379 C4 G B 12 -6.110 2.244 10.829 1.00 0.00 C ATOM 0 H5' G B 12 -10.755 -1.802 10.004 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.043 -1.317 8.345 1.00 0.00 H new ATOM 0 H4' G B 12 -11.041 0.607 9.726 1.00 0.00 H new ATOM 0 H3' G B 12 -8.527 0.372 7.969 1.00 0.00 H new ATOM 0 H2' G B 12 -8.196 2.747 8.761 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.761 2.749 8.812 1.00 0.00 H new ATOM 0 H1' G B 12 -8.748 2.148 11.402 1.00 0.00 H new ATOM 0 H8 G B 12 -6.819 -0.836 10.208 1.00 0.00 H new ATOM 0 H1 G B 12 -3.200 4.343 11.391 1.00 0.00 H new ATOM 0 H21 G B 12 -6.231 6.045 11.486 1.00 0.00 H new ATOM 0 H22 G B 12 -4.471 6.123 11.618 1.00 0.00 H new ATOM 391 P U B 13 -9.596 1.707 5.951 1.00 0.00 P ATOM 392 OP1 U B 13 -10.717 2.180 5.109 1.00 0.00 O ATOM 393 OP2 U B 13 -8.708 0.632 5.455 1.00 0.00 O ATOM 394 O5' U B 13 -8.678 2.973 6.323 1.00 0.00 O ATOM 395 C5' U B 13 -9.242 4.217 6.678 1.00 0.00 C ATOM 396 C4' U B 13 -8.109 5.194 7.004 1.00 0.00 C ATOM 397 O4' U B 13 -7.309 4.733 8.090 1.00 0.00 O ATOM 398 C3' U B 13 -7.168 5.344 5.822 1.00 0.00 C ATOM 399 O3' U B 13 -7.633 6.303 4.882 1.00 0.00 O ATOM 400 C2' U B 13 -5.903 5.780 6.487 1.00 0.00 C ATOM 401 O2' U B 13 -5.936 7.173 6.719 1.00 0.00 O ATOM 402 C1' U B 13 -5.939 5.056 7.816 1.00 0.00 C ATOM 403 N1 U B 13 -5.117 3.824 7.791 1.00 0.00 N ATOM 404 C2 U B 13 -3.760 3.956 8.048 1.00 0.00 C ATOM 405 O2 U B 13 -3.241 5.050 8.256 1.00 0.00 O ATOM 406 N3 U B 13 -3.019 2.783 8.062 1.00 0.00 N ATOM 407 C4 U B 13 -3.528 1.503 7.884 1.00 0.00 C ATOM 408 O4 U B 13 -2.786 0.524 7.910 1.00 0.00 O ATOM 409 C5 U B 13 -4.964 1.464 7.684 1.00 0.00 C ATOM 410 C6 U B 13 -5.689 2.594 7.641 1.00 0.00 C ATOM 0 H5' U B 13 -9.901 4.101 7.539 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.851 4.603 5.860 1.00 0.00 H new ATOM 0 H4' U B 13 -8.592 6.138 7.255 1.00 0.00 H new ATOM 0 H3' U B 13 -7.063 4.433 5.232 1.00 0.00 H new ATOM 0 H2' U B 13 -5.014 5.565 5.893 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.726 7.558 6.285 1.00 0.00 H new ATOM 0 H1' U B 13 -5.523 5.696 8.594 1.00 0.00 H new ATOM 0 H3 U B 13 -2.014 2.868 8.216 1.00 0.00 H new ATOM 0 H5 U B 13 -5.458 0.511 7.568 1.00 0.00 H new ATOM 0 H6 U B 13 -6.755 2.527 7.483 1.00 0.00 H new ATOM 421 P U B 14 -6.908 6.488 3.444 1.00 0.00 P ATOM 422 OP1 U B 14 -7.774 7.344 2.604 1.00 0.00 O ATOM 423 OP2 U B 14 -6.521 5.144 2.960 1.00 0.00 O ATOM 424 O5' U B 14 -5.547 7.314 3.758 1.00 0.00 O ATOM 425 C5' U B 14 -5.558 8.727 3.912 1.00 0.00 C ATOM 426 C4' U B 14 -4.113 9.253 4.012 1.00 0.00 C ATOM 427 O4' U B 14 -3.465 8.795 5.192 1.00 0.00 O ATOM 428 C3' U B 14 -3.247 8.781 2.855 1.00 0.00 C ATOM 429 O3' U B 14 -3.421 9.554 1.683 1.00 0.00 O ATOM 430 C2' U B 14 -1.881 8.990 3.443 1.00 0.00 C ATOM 431 O2' U B 14 -1.551 10.364 3.423 1.00 0.00 O ATOM 432 C1' U B 14 -2.083 8.566 4.879 1.00 0.00 C ATOM 433 N1 U B 14 -1.767 7.134 5.054 1.00 0.00 N ATOM 434 C2 U B 14 -0.441 6.765 5.211 1.00 0.00 C ATOM 435 O2 U B 14 0.481 7.574 5.135 1.00 0.00 O ATOM 436 N3 U B 14 -0.210 5.422 5.465 1.00 0.00 N ATOM 437 C4 U B 14 -1.179 4.438 5.588 1.00 0.00 C ATOM 438 O4 U B 14 -0.865 3.273 5.815 1.00 0.00 O ATOM 439 C5 U B 14 -2.530 4.923 5.426 1.00 0.00 C ATOM 440 C6 U B 14 -2.768 6.225 5.165 1.00 0.00 C ATOM 0 H5' U B 14 -6.117 9.000 4.807 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.066 9.190 3.066 1.00 0.00 H new ATOM 0 H4' U B 14 -4.211 10.339 4.008 1.00 0.00 H new ATOM 0 H3' U B 14 -3.468 7.766 2.525 1.00 0.00 H new ATOM 0 H2' U B 14 -1.094 8.453 2.914 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.172 10.841 2.834 1.00 0.00 H new ATOM 0 H1' U B 14 -1.424 9.133 5.537 1.00 0.00 H new ATOM 0 H3 U B 14 0.762 5.131 5.571 1.00 0.00 H new ATOM 0 H5 U B 14 -3.358 4.236 5.515 1.00 0.00 H new ATOM 0 H6 U B 14 -3.789 6.555 5.040 1.00 0.00 H new ATOM 451 P C B 15 -2.827 9.047 0.267 1.00 0.00 P ATOM 452 OP1 C B 15 -3.064 10.109 -0.736 1.00 0.00 O ATOM 453 OP2 C B 15 -3.346 7.683 0.024 1.00 0.00 O ATOM 454 O5' C B 15 -1.231 8.934 0.513 1.00 0.00 O ATOM 455 C5' C B 15 -0.400 10.080 0.497 1.00 0.00 C ATOM 456 C4' C B 15 1.068 9.653 0.648 1.00 0.00 C ATOM 457 O4' C B 15 1.317 8.995 1.896 1.00 0.00 O ATOM 458 C3' C B 15 1.474 8.653 -0.414 1.00 0.00 C ATOM 459 O3' C B 15 1.732 9.264 -1.665 1.00 0.00 O ATOM 460 C2' C B 15 2.728 8.104 0.214 1.00 0.00 C ATOM 461 O2' C B 15 3.776 9.040 0.077 1.00 0.00 O ATOM 462 C1' C B 15 2.357 8.018 1.682 1.00 0.00 C ATOM 463 N1 C B 15 1.874 6.656 2.031 1.00 0.00 N ATOM 464 C2 C B 15 2.830 5.687 2.322 1.00 0.00 C ATOM 465 O2 C B 15 4.028 5.951 2.239 1.00 0.00 O ATOM 466 N3 C B 15 2.401 4.449 2.699 1.00 0.00 N ATOM 467 C4 C B 15 1.093 4.172 2.788 1.00 0.00 C ATOM 468 N4 C B 15 0.717 2.947 3.169 1.00 0.00 N ATOM 469 C5 C B 15 0.099 5.164 2.495 1.00 0.00 C ATOM 470 C6 C B 15 0.541 6.382 2.127 1.00 0.00 C ATOM 0 H5' C B 15 -0.678 10.755 1.306 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.536 10.628 -0.436 1.00 0.00 H new ATOM 0 H4' C B 15 1.634 10.581 0.569 1.00 0.00 H new ATOM 0 H3' C B 15 0.712 7.911 -0.654 1.00 0.00 H new ATOM 0 H2' C B 15 3.053 7.162 -0.227 1.00 0.00 H new ATOM 0 HO2' C B 15 3.486 9.773 -0.505 1.00 0.00 H new ATOM 0 H1' C B 15 3.223 8.215 2.314 1.00 0.00 H new ATOM 0 H41 C B 15 -0.274 2.718 3.243 1.00 0.00 H new ATOM 0 H42 C B 15 1.421 2.242 3.386 1.00 0.00 H new ATOM 0 H5 C B 15 -0.956 4.944 2.566 1.00 0.00 H new ATOM 0 H6 C B 15 -0.175 7.159 1.903 1.00 0.00 H new ATOM 482 P C B 16 1.940 8.369 -2.994 1.00 0.00 P ATOM 483 OP1 C B 16 2.254 9.278 -4.119 1.00 0.00 O ATOM 484 OP2 C B 16 0.796 7.438 -3.100 1.00 0.00 O ATOM 485 O5' C B 16 3.257 7.501 -2.668 1.00 0.00 O ATOM 486 C5' C B 16 4.548 8.071 -2.743 1.00 0.00 C ATOM 487 C4' C B 16 5.581 7.020 -2.331 1.00 0.00 C ATOM 488 O4' C B 16 5.354 6.554 -1.003 1.00 0.00 O ATOM 489 C3' C B 16 5.496 5.782 -3.195 1.00 0.00 C ATOM 490 O3' C B 16 6.121 5.953 -4.449 1.00 0.00 O ATOM 491 C2' C B 16 6.236 4.790 -2.337 1.00 0.00 C ATOM 492 O2' C B 16 7.627 4.957 -2.511 1.00 0.00 O ATOM 493 C1' C B 16 5.849 5.206 -0.918 1.00 0.00 C ATOM 494 N1 C B 16 4.789 4.287 -0.432 1.00 0.00 N ATOM 495 C2 C B 16 5.186 3.087 0.149 1.00 0.00 C ATOM 496 O2 C B 16 6.379 2.839 0.310 1.00 0.00 O ATOM 497 N3 C B 16 4.219 2.203 0.526 1.00 0.00 N ATOM 498 C4 C B 16 2.920 2.480 0.335 1.00 0.00 C ATOM 499 N4 C B 16 2.004 1.588 0.723 1.00 0.00 N ATOM 500 C5 C B 16 2.503 3.703 -0.281 1.00 0.00 C ATOM 501 C6 C B 16 3.474 4.567 -0.643 1.00 0.00 C ATOM 0 H5' C B 16 4.614 8.941 -2.089 1.00 0.00 H new ATOM 0 H5'' C B 16 4.748 8.418 -3.757 1.00 0.00 H new ATOM 0 H4' C B 16 6.546 7.517 -2.430 1.00 0.00 H new ATOM 0 H3' C B 16 4.478 5.493 -3.455 1.00 0.00 H new ATOM 0 H2' C B 16 5.998 3.752 -2.570 1.00 0.00 H new ATOM 0 HO2' C B 16 7.816 5.175 -3.448 1.00 0.00 H new ATOM 0 HO3' C B 16 6.041 5.127 -4.970 1.00 0.00 H new ATOM 0 H1' C B 16 6.691 5.158 -0.227 1.00 0.00 H new ATOM 0 H41 C B 16 1.012 1.783 0.585 1.00 0.00 H new ATOM 0 H42 C B 16 2.297 0.712 1.157 1.00 0.00 H new ATOM 0 H5 C B 16 1.459 3.924 -0.448 1.00 0.00 H new ATOM 0 H6 C B 16 3.202 5.502 -1.111 1.00 0.00 H new TER 514 C B 16