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= -0.239 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -17:sc= 0.0469 USER MOD Single : A 3 A O2' : rot -30:sc= 0.153 USER MOD Single : A 4 U O2' : rot 180:sc= -0.253 USER MOD Single : A 5 G O2' : rot -8:sc= 0.119 USER MOD Single : A 6 U O2' : rot -15:sc= -0.431 USER MOD Single : A 7 C O2' : rot -9:sc= -0.189 USER MOD Single : A 8 C O2' : rot -21:sc= 0.123 USER MOD Single : A 8 C O3' : rot 180:sc= 0.164 USER MOD Single : B 9 G O2' : rot 180:sc= -0.223 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00692 USER MOD Single : B 10 G O2' : rot 180:sc= -0.368 USER MOD Single : B 11 A O2' : rot -23:sc= 0.15 USER MOD Single : B 12 U O2' : rot -170:sc= -0.252 USER MOD Single : B 13 G O2' : rot -10:sc= 0.144 USER MOD Single : B 14 U O2' : rot -15:sc= -0.429 USER MOD Single : B 15 C O2' : rot -11:sc= -0.182 USER MOD Single : B 16 C O2' : rot -28:sc= 0.146 USER MOD Single : B 16 C O3' : rot 180:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.133 -8.031 5.939 1.00 0.00 O ATOM 2 C5' G A 1 6.480 -8.451 5.990 1.00 0.00 C ATOM 3 C4' G A 1 7.400 -7.347 5.456 1.00 0.00 C ATOM 4 O4' G A 1 7.124 -7.054 4.088 1.00 0.00 O ATOM 5 C3' G A 1 7.229 -6.030 6.185 1.00 0.00 C ATOM 6 O3' G A 1 7.843 -6.028 7.460 1.00 0.00 O ATOM 7 C2' G A 1 7.920 -5.112 5.206 1.00 0.00 C ATOM 8 O2' G A 1 9.318 -5.291 5.284 1.00 0.00 O ATOM 9 C1' G A 1 7.426 -5.666 3.869 1.00 0.00 C ATOM 10 N9 G A 1 6.198 -4.947 3.465 1.00 0.00 N ATOM 11 C8 G A 1 4.894 -5.369 3.516 1.00 0.00 C ATOM 12 N7 G A 1 4.033 -4.483 3.099 1.00 0.00 N ATOM 13 C5 G A 1 4.821 -3.392 2.746 1.00 0.00 C ATOM 14 C6 G A 1 4.441 -2.119 2.225 1.00 0.00 C ATOM 15 O6 G A 1 3.312 -1.705 1.974 1.00 0.00 O ATOM 16 N1 G A 1 5.546 -1.306 2.002 1.00 0.00 N ATOM 17 C2 G A 1 6.854 -1.665 2.249 1.00 0.00 C ATOM 18 N2 G A 1 7.791 -0.750 1.978 1.00 0.00 N ATOM 19 N3 G A 1 7.215 -2.857 2.739 1.00 0.00 N ATOM 20 C4 G A 1 6.149 -3.668 2.963 1.00 0.00 C ATOM 0 H5' G A 1 6.608 -9.358 5.400 1.00 0.00 H new ATOM 0 H5'' G A 1 6.753 -8.697 7.016 1.00 0.00 H new ATOM 0 H4' G A 1 8.406 -7.741 5.600 1.00 0.00 H new ATOM 0 H3' G A 1 6.198 -5.764 6.420 1.00 0.00 H new ATOM 0 H2' G A 1 7.718 -4.054 5.370 1.00 0.00 H new ATOM 0 HO2' G A 1 9.760 -4.693 4.646 1.00 0.00 H new ATOM 0 HO5' G A 1 4.555 -8.745 6.281 1.00 0.00 H new ATOM 0 H1' G A 1 8.173 -5.544 3.084 1.00 0.00 H new ATOM 0 H8 G A 1 4.606 -6.348 3.870 1.00 0.00 H new ATOM 0 H1 G A 1 5.376 -0.373 1.627 1.00 0.00 H new ATOM 0 H21 G A 1 8.775 -0.963 2.142 1.00 0.00 H new ATOM 0 H22 G A 1 7.522 0.161 1.607 1.00 0.00 H new ATOM 33 P G A 2 7.521 -4.860 8.533 1.00 0.00 P ATOM 34 OP1 G A 2 8.281 -5.150 9.769 1.00 0.00 O ATOM 35 OP2 G A 2 6.052 -4.698 8.597 1.00 0.00 O ATOM 36 O5' G A 2 8.142 -3.532 7.864 1.00 0.00 O ATOM 37 C5' G A 2 9.538 -3.331 7.814 1.00 0.00 C ATOM 38 C4' G A 2 9.842 -2.011 7.101 1.00 0.00 C ATOM 39 O4' G A 2 9.302 -2.001 5.776 1.00 0.00 O ATOM 40 C3' G A 2 9.223 -0.808 7.786 1.00 0.00 C ATOM 41 O3' G A 2 9.936 -0.397 8.939 1.00 0.00 O ATOM 42 C2' G A 2 9.338 0.192 6.663 1.00 0.00 C ATOM 43 O2' G A 2 10.690 0.561 6.489 1.00 0.00 O ATOM 44 C1' G A 2 8.906 -0.652 5.471 1.00 0.00 C ATOM 45 N9 G A 2 7.433 -0.578 5.328 1.00 0.00 N ATOM 46 C8 G A 2 6.484 -1.507 5.673 1.00 0.00 C ATOM 47 N7 G A 2 5.261 -1.136 5.420 1.00 0.00 N ATOM 48 C5 G A 2 5.402 0.135 4.875 1.00 0.00 C ATOM 49 C6 G A 2 4.409 1.046 4.413 1.00 0.00 C ATOM 50 O6 G A 2 3.191 0.892 4.384 1.00 0.00 O ATOM 51 N1 G A 2 4.972 2.231 3.957 1.00 0.00 N ATOM 52 C2 G A 2 6.322 2.509 3.939 1.00 0.00 C ATOM 53 N2 G A 2 6.683 3.708 3.468 1.00 0.00 N ATOM 54 N3 G A 2 7.260 1.653 4.364 1.00 0.00 N ATOM 55 C4 G A 2 6.729 0.489 4.820 1.00 0.00 C ATOM 0 H5' G A 2 10.016 -4.158 7.289 1.00 0.00 H new ATOM 0 H5'' G A 2 9.949 -3.314 8.823 1.00 0.00 H new ATOM 0 H4' G A 2 10.930 -1.942 7.110 1.00 0.00 H new ATOM 0 H3' G A 2 8.218 -0.971 8.175 1.00 0.00 H new ATOM 0 H2' G A 2 8.766 1.107 6.817 1.00 0.00 H new ATOM 0 HO2' G A 2 11.203 0.306 7.284 1.00 0.00 H new ATOM 0 H1' G A 2 9.357 -0.306 4.541 1.00 0.00 H new ATOM 0 H8 G A 2 6.729 -2.461 6.115 1.00 0.00 H new ATOM 0 H1 G A 2 4.338 2.950 3.609 1.00 0.00 H new ATOM 0 H21 G A 2 7.669 3.966 3.432 1.00 0.00 H new ATOM 0 H22 G A 2 5.972 4.364 3.145 1.00 0.00 H new ATOM 67 P A A 3 9.243 0.563 10.051 1.00 0.00 P ATOM 68 OP1 A A 3 10.241 0.827 11.111 1.00 0.00 O ATOM 69 OP2 A A 3 7.935 -0.029 10.408 1.00 0.00 O ATOM 70 O5' A A 3 8.964 1.950 9.270 1.00 0.00 O ATOM 71 C5' A A 3 10.023 2.826 8.946 1.00 0.00 C ATOM 72 C4' A A 3 9.483 4.040 8.187 1.00 0.00 C ATOM 73 O4' A A 3 8.761 3.643 7.019 1.00 0.00 O ATOM 74 C3' A A 3 8.508 4.878 8.988 1.00 0.00 C ATOM 75 O3' A A 3 9.161 5.742 9.897 1.00 0.00 O ATOM 76 C2' A A 3 7.829 5.650 7.893 1.00 0.00 C ATOM 77 O2' A A 3 8.684 6.679 7.438 1.00 0.00 O ATOM 78 C1' A A 3 7.696 4.588 6.808 1.00 0.00 C ATOM 79 N9 A A 3 6.385 3.908 6.930 1.00 0.00 N ATOM 80 C8 A A 3 6.107 2.622 7.324 1.00 0.00 C ATOM 81 N7 A A 3 4.841 2.313 7.275 1.00 0.00 N ATOM 82 C5 A A 3 4.232 3.480 6.830 1.00 0.00 C ATOM 83 C6 A A 3 2.890 3.815 6.572 1.00 0.00 C ATOM 84 N6 A A 3 1.877 2.952 6.719 1.00 0.00 N ATOM 85 N1 A A 3 2.627 5.072 6.169 1.00 0.00 N ATOM 86 C2 A A 3 3.634 5.928 6.023 1.00 0.00 C ATOM 87 N3 A A 3 4.932 5.731 6.219 1.00 0.00 N ATOM 88 C4 A A 3 5.163 4.463 6.630 1.00 0.00 C ATOM 0 H5' A A 3 10.763 2.306 8.338 1.00 0.00 H new ATOM 0 H5'' A A 3 10.529 3.151 9.855 1.00 0.00 H new ATOM 0 H4' A A 3 10.376 4.621 7.954 1.00 0.00 H new ATOM 0 H3' A A 3 7.839 4.292 9.618 1.00 0.00 H new ATOM 0 H2' A A 3 6.890 6.117 8.188 1.00 0.00 H new ATOM 0 HO2' A A 3 9.257 6.978 8.175 1.00 0.00 H new ATOM 0 H1' A A 3 7.757 5.030 5.814 1.00 0.00 H new ATOM 0 H8 A A 3 6.869 1.928 7.646 1.00 0.00 H new ATOM 0 H61 A A 3 0.922 3.248 6.518 1.00 0.00 H new ATOM 0 H62 A A 3 2.061 1.999 7.032 1.00 0.00 H new ATOM 0 H2 A A 3 3.358 6.921 5.700 1.00 0.00 H new ATOM 100 P U A 4 8.777 5.733 11.455 1.00 0.00 P ATOM 101 OP1 U A 4 9.746 6.581 12.184 1.00 0.00 O ATOM 102 OP2 U A 4 8.548 4.335 11.878 1.00 0.00 O ATOM 103 O5' U A 4 7.364 6.497 11.409 1.00 0.00 O ATOM 104 C5' U A 4 7.309 7.875 11.098 1.00 0.00 C ATOM 105 C4' U A 4 5.865 8.297 10.829 1.00 0.00 C ATOM 106 O4' U A 4 5.339 7.615 9.693 1.00 0.00 O ATOM 107 C3' U A 4 4.928 7.963 11.971 1.00 0.00 C ATOM 108 O3' U A 4 5.032 8.893 13.033 1.00 0.00 O ATOM 109 C2' U A 4 3.598 8.047 11.259 1.00 0.00 C ATOM 110 O2' U A 4 3.235 9.401 11.081 1.00 0.00 O ATOM 111 C1' U A 4 3.927 7.451 9.888 1.00 0.00 C ATOM 112 N1 U A 4 3.564 6.013 9.856 1.00 0.00 N ATOM 113 C2 U A 4 2.231 5.708 9.638 1.00 0.00 C ATOM 114 O2 U A 4 1.385 6.583 9.473 1.00 0.00 O ATOM 115 N3 U A 4 1.901 4.362 9.615 1.00 0.00 N ATOM 116 C4 U A 4 2.782 3.308 9.798 1.00 0.00 C ATOM 117 O4 U A 4 2.381 2.147 9.771 1.00 0.00 O ATOM 118 C5 U A 4 4.157 3.715 10.003 1.00 0.00 C ATOM 119 C6 U A 4 4.502 5.025 10.023 1.00 0.00 C ATOM 0 H5' U A 4 7.925 8.083 10.223 1.00 0.00 H new ATOM 0 H5'' U A 4 7.719 8.458 11.923 1.00 0.00 H new ATOM 0 H4' U A 4 5.912 9.376 10.682 1.00 0.00 H new ATOM 0 H3' U A 4 5.121 7.007 12.458 1.00 0.00 H new ATOM 0 H2' U A 4 2.787 7.550 11.792 1.00 0.00 H new ATOM 0 HO2' U A 4 2.373 9.450 10.618 1.00 0.00 H new ATOM 0 H1' U A 4 3.366 7.950 9.098 1.00 0.00 H new ATOM 0 H3 U A 4 0.923 4.126 9.449 1.00 0.00 H new ATOM 0 H5 U A 4 4.919 2.962 10.142 1.00 0.00 H new ATOM 0 H6 U A 4 5.536 5.297 10.173 1.00 0.00 H new ATOM 130 P G A 5 4.275 8.635 14.434 1.00 0.00 P ATOM 131 OP1 G A 5 4.669 9.707 15.375 1.00 0.00 O ATOM 132 OP2 G A 5 4.478 7.219 14.809 1.00 0.00 O ATOM 133 O5' G A 5 2.720 8.838 14.068 1.00 0.00 O ATOM 134 C5' G A 5 2.179 10.131 13.877 1.00 0.00 C ATOM 135 C4' G A 5 0.690 10.010 13.548 1.00 0.00 C ATOM 136 O4' G A 5 0.483 9.245 12.366 1.00 0.00 O ATOM 137 C3' G A 5 -0.066 9.264 14.627 1.00 0.00 C ATOM 138 O3' G A 5 -0.349 10.081 15.752 1.00 0.00 O ATOM 139 C2' G A 5 -1.318 8.885 13.876 1.00 0.00 C ATOM 140 O2' G A 5 -2.231 9.962 13.888 1.00 0.00 O ATOM 141 C1' G A 5 -0.825 8.668 12.451 1.00 0.00 C ATOM 142 N9 G A 5 -0.780 7.221 12.170 1.00 0.00 N ATOM 143 C8 G A 5 0.280 6.364 12.247 1.00 0.00 C ATOM 144 N7 G A 5 -0.015 5.125 11.959 1.00 0.00 N ATOM 145 C5 G A 5 -1.378 5.165 11.676 1.00 0.00 C ATOM 146 C6 G A 5 -2.275 4.117 11.303 1.00 0.00 C ATOM 147 O6 G A 5 -2.035 2.924 11.125 1.00 0.00 O ATOM 148 N1 G A 5 -3.566 4.590 11.140 1.00 0.00 N ATOM 149 C2 G A 5 -3.961 5.898 11.296 1.00 0.00 C ATOM 150 N2 G A 5 -5.255 6.160 11.086 1.00 0.00 N ATOM 151 N3 G A 5 -3.128 6.885 11.637 1.00 0.00 N ATOM 152 C4 G A 5 -1.855 6.446 11.812 1.00 0.00 C ATOM 0 H5' G A 5 2.702 10.641 13.068 1.00 0.00 H new ATOM 0 H5'' G A 5 2.317 10.732 14.775 1.00 0.00 H new ATOM 0 H4' G A 5 0.336 11.035 13.443 1.00 0.00 H new ATOM 0 H3' G A 5 0.479 8.424 15.057 1.00 0.00 H new ATOM 0 H2' G A 5 -1.822 8.018 14.303 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.901 10.664 14.486 1.00 0.00 H new ATOM 0 H1' G A 5 -1.486 9.133 11.720 1.00 0.00 H new ATOM 0 H8 G A 5 1.275 6.683 12.522 1.00 0.00 H new ATOM 0 H1 G A 5 -4.284 3.912 10.883 1.00 0.00 H new ATOM 0 H21 G A 5 -5.605 7.113 11.187 1.00 0.00 H new ATOM 0 H22 G A 5 -5.892 5.407 10.825 1.00 0.00 H new ATOM 164 P U A 6 -0.849 9.432 17.149 1.00 0.00 P ATOM 165 OP1 U A 6 -0.985 10.525 18.137 1.00 0.00 O ATOM 166 OP2 U A 6 0.029 8.280 17.449 1.00 0.00 O ATOM 167 O5' U A 6 -2.328 8.859 16.833 1.00 0.00 O ATOM 168 C5' U A 6 -3.462 9.706 16.839 1.00 0.00 C ATOM 169 C4' U A 6 -4.736 8.874 16.609 1.00 0.00 C ATOM 170 O4' U A 6 -4.742 8.256 15.315 1.00 0.00 O ATOM 171 C3' U A 6 -4.873 7.724 17.594 1.00 0.00 C ATOM 172 O3' U A 6 -5.347 8.119 18.865 1.00 0.00 O ATOM 173 C2' U A 6 -5.891 6.889 16.868 1.00 0.00 C ATOM 174 O2' U A 6 -7.162 7.498 16.960 1.00 0.00 O ATOM 175 C1' U A 6 -5.416 6.986 15.431 1.00 0.00 C ATOM 176 N1 U A 6 -4.479 5.881 15.110 1.00 0.00 N ATOM 177 C2 U A 6 -5.013 4.720 14.570 1.00 0.00 C ATOM 178 O2 U A 6 -6.222 4.566 14.409 1.00 0.00 O ATOM 179 N3 U A 6 -4.106 3.735 14.219 1.00 0.00 N ATOM 180 C4 U A 6 -2.730 3.808 14.359 1.00 0.00 C ATOM 181 O4 U A 6 -2.018 2.862 14.032 1.00 0.00 O ATOM 182 C5 U A 6 -2.259 5.059 14.909 1.00 0.00 C ATOM 183 C6 U A 6 -3.129 6.030 15.267 1.00 0.00 C ATOM 0 H5' U A 6 -3.366 10.463 16.061 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.528 10.234 17.791 1.00 0.00 H new ATOM 0 H4' U A 6 -5.549 9.591 16.725 1.00 0.00 H new ATOM 0 H3' U A 6 -3.929 7.232 17.830 1.00 0.00 H new ATOM 0 H2' U A 6 -5.978 5.873 17.254 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.149 8.177 17.667 1.00 0.00 H new ATOM 0 H1' U A 6 -6.253 6.909 14.737 1.00 0.00 H new ATOM 0 H3 U A 6 -4.486 2.876 13.821 1.00 0.00 H new ATOM 0 H5 U A 6 -1.199 5.220 15.036 1.00 0.00 H new ATOM 0 H6 U A 6 -2.747 6.948 15.688 1.00 0.00 H new ATOM 194 P C A 7 -5.280 7.096 20.119 1.00 0.00 P ATOM 195 OP1 C A 7 -5.960 7.734 21.269 1.00 0.00 O ATOM 196 OP2 C A 7 -3.879 6.643 20.257 1.00 0.00 O ATOM 197 O5' C A 7 -6.169 5.826 19.651 1.00 0.00 O ATOM 198 C5' C A 7 -7.581 5.877 19.662 1.00 0.00 C ATOM 199 C4' C A 7 -8.162 4.527 19.214 1.00 0.00 C ATOM 200 O4' C A 7 -7.754 4.173 17.888 1.00 0.00 O ATOM 201 C3' C A 7 -7.689 3.380 20.082 1.00 0.00 C ATOM 202 O3' C A 7 -8.355 3.336 21.330 1.00 0.00 O ATOM 203 C2' C A 7 -8.058 2.209 19.200 1.00 0.00 C ATOM 204 O2' C A 7 -9.449 1.972 19.276 1.00 0.00 O ATOM 205 C1' C A 7 -7.727 2.731 17.801 1.00 0.00 C ATOM 206 N1 C A 7 -6.385 2.241 17.380 1.00 0.00 N ATOM 207 C2 C A 7 -6.287 0.909 16.988 1.00 0.00 C ATOM 208 O2 C A 7 -7.284 0.189 16.980 1.00 0.00 O ATOM 209 N3 C A 7 -5.066 0.431 16.618 1.00 0.00 N ATOM 210 C4 C A 7 -3.984 1.221 16.635 1.00 0.00 C ATOM 211 N4 C A 7 -2.806 0.714 16.261 1.00 0.00 N ATOM 212 C5 C A 7 -4.069 2.593 17.032 1.00 0.00 C ATOM 213 C6 C A 7 -5.286 3.057 17.388 1.00 0.00 C ATOM 0 H5' C A 7 -7.929 6.669 18.999 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.936 6.120 20.663 1.00 0.00 H new ATOM 0 H4' C A 7 -9.241 4.666 19.282 1.00 0.00 H new ATOM 0 H3' C A 7 -6.637 3.429 20.364 1.00 0.00 H new ATOM 0 H2' C A 7 -7.547 1.285 19.470 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.835 2.517 19.994 1.00 0.00 H new ATOM 0 H1' C A 7 -8.442 2.379 17.058 1.00 0.00 H new ATOM 0 H41 C A 7 -1.972 1.302 16.268 1.00 0.00 H new ATOM 0 H42 C A 7 -2.740 -0.261 15.968 1.00 0.00 H new ATOM 0 H5 C A 7 -3.197 3.230 17.046 1.00 0.00 H new ATOM 0 H6 C A 7 -5.394 4.090 17.684 1.00 0.00 H new ATOM 225 P C A 8 -7.800 2.408 22.529 1.00 0.00 P ATOM 226 OP1 C A 8 -8.706 2.562 23.688 1.00 0.00 O ATOM 227 OP2 C A 8 -6.355 2.685 22.686 1.00 0.00 O ATOM 228 O5' C A 8 -7.957 0.905 21.968 1.00 0.00 O ATOM 229 C5' C A 8 -9.213 0.258 21.952 1.00 0.00 C ATOM 230 C4' C A 8 -9.036 -1.171 21.429 1.00 0.00 C ATOM 231 O4' C A 8 -8.542 -1.184 20.097 1.00 0.00 O ATOM 232 C3' C A 8 -8.001 -1.939 22.217 1.00 0.00 C ATOM 233 O3' C A 8 -8.479 -2.376 23.471 1.00 0.00 O ATOM 234 C2' C A 8 -7.719 -3.081 21.289 1.00 0.00 C ATOM 235 O2' C A 8 -8.743 -4.049 21.387 1.00 0.00 O ATOM 236 C1' C A 8 -7.789 -2.397 19.929 1.00 0.00 C ATOM 237 N1 C A 8 -6.409 -2.099 19.483 1.00 0.00 N ATOM 238 C2 C A 8 -5.705 -3.117 18.847 1.00 0.00 C ATOM 239 O2 C A 8 -6.253 -4.189 18.598 1.00 0.00 O ATOM 240 N3 C A 8 -4.403 -2.893 18.517 1.00 0.00 N ATOM 241 C4 C A 8 -3.811 -1.727 18.812 1.00 0.00 C ATOM 242 N4 C A 8 -2.532 -1.545 18.469 1.00 0.00 N ATOM 243 C5 C A 8 -4.519 -0.683 19.491 1.00 0.00 C ATOM 244 C6 C A 8 -5.809 -0.915 19.798 1.00 0.00 C ATOM 0 H5' C A 8 -9.910 0.806 21.318 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.640 0.241 22.955 1.00 0.00 H new ATOM 0 H4' C A 8 -10.026 -1.619 21.509 1.00 0.00 H new ATOM 0 H3' C A 8 -7.124 -1.348 22.482 1.00 0.00 H new ATOM 0 H2' C A 8 -6.779 -3.596 21.489 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.210 -3.946 22.242 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.771 -2.868 23.938 1.00 0.00 H new ATOM 0 H1' C A 8 -8.269 -3.027 19.180 1.00 0.00 H new ATOM 0 H41 C A 8 -2.066 -0.664 18.686 1.00 0.00 H new ATOM 0 H42 C A 8 -2.022 -2.287 17.990 1.00 0.00 H new ATOM 0 H5 C A 8 -4.038 0.250 19.746 1.00 0.00 H new ATOM 0 H6 C A 8 -6.380 -0.150 20.303 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.449 -9.406 13.788 1.00 0.00 O ATOM 259 C5' G B 9 1.873 -10.692 13.707 1.00 0.00 C ATOM 260 C4' G B 9 0.422 -10.658 14.201 1.00 0.00 C ATOM 261 O4' G B 9 0.347 -10.274 15.573 1.00 0.00 O ATOM 262 C3' G B 9 -0.432 -9.650 13.457 1.00 0.00 C ATOM 263 O3' G B 9 -0.824 -10.110 12.178 1.00 0.00 O ATOM 264 C2' G B 9 -1.595 -9.537 14.414 1.00 0.00 C ATOM 265 O2' G B 9 -2.417 -10.683 14.317 1.00 0.00 O ATOM 266 C1' G B 9 -0.880 -9.552 15.765 1.00 0.00 C ATOM 267 N9 G B 9 -0.580 -8.163 16.175 1.00 0.00 N ATOM 268 C8 G B 9 0.619 -7.496 16.155 1.00 0.00 C ATOM 269 N7 G B 9 0.547 -6.263 16.570 1.00 0.00 N ATOM 270 C5 G B 9 -0.796 -6.094 16.890 1.00 0.00 C ATOM 271 C6 G B 9 -1.481 -4.949 17.393 1.00 0.00 C ATOM 272 O6 G B 9 -1.020 -3.841 17.655 1.00 0.00 O ATOM 273 N1 G B 9 -2.834 -5.203 17.583 1.00 0.00 N ATOM 274 C2 G B 9 -3.457 -6.405 17.321 1.00 0.00 C ATOM 275 N2 G B 9 -4.772 -6.465 17.558 1.00 0.00 N ATOM 276 N3 G B 9 -2.819 -7.481 16.846 1.00 0.00 N ATOM 277 C4 G B 9 -1.495 -7.254 16.655 1.00 0.00 C ATOM 0 H5' G B 9 2.452 -11.395 14.306 1.00 0.00 H new ATOM 0 H5'' G B 9 1.905 -11.048 12.677 1.00 0.00 H new ATOM 0 H4' G B 9 0.055 -11.671 14.036 1.00 0.00 H new ATOM 0 H3' G B 9 0.066 -8.707 13.230 1.00 0.00 H new ATOM 0 H2' G B 9 -2.231 -8.669 14.238 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.167 -10.601 14.942 1.00 0.00 H new ATOM 0 HO5' G B 9 3.376 -9.442 13.471 1.00 0.00 H new ATOM 0 H1' G B 9 -1.494 -10.017 16.536 1.00 0.00 H new ATOM 0 H8 G B 9 1.540 -7.952 15.825 1.00 0.00 H new ATOM 0 H1 G B 9 -3.410 -4.442 17.944 1.00 0.00 H new ATOM 0 H21 G B 9 -5.283 -7.330 17.382 1.00 0.00 H new ATOM 0 H22 G B 9 -5.264 -5.646 17.915 1.00 0.00 H new ATOM 290 P G B 10 -1.428 -9.088 11.080 1.00 0.00 P ATOM 291 OP1 G B 10 -1.720 -9.857 9.850 1.00 0.00 O ATOM 292 OP2 G B 10 -0.531 -7.913 11.015 1.00 0.00 O ATOM 293 O5' G B 10 -2.830 -8.612 11.716 1.00 0.00 O ATOM 294 C5' G B 10 -3.945 -9.478 11.745 1.00 0.00 C ATOM 295 C4' G B 10 -5.125 -8.772 12.417 1.00 0.00 C ATOM 296 O4' G B 10 -4.797 -8.371 13.750 1.00 0.00 O ATOM 297 C3' G B 10 -5.529 -7.493 11.710 1.00 0.00 C ATOM 298 O3' G B 10 -6.281 -7.727 10.532 1.00 0.00 O ATOM 299 C2' G B 10 -6.359 -6.863 12.803 1.00 0.00 C ATOM 300 O2' G B 10 -7.587 -7.546 12.935 1.00 0.00 O ATOM 301 C1' G B 10 -5.501 -7.150 14.029 1.00 0.00 C ATOM 302 N9 G B 10 -4.538 -6.040 14.215 1.00 0.00 N ATOM 303 C8 G B 10 -3.200 -5.997 13.912 1.00 0.00 C ATOM 304 N7 G B 10 -2.632 -4.856 14.184 1.00 0.00 N ATOM 305 C5 G B 10 -3.665 -4.081 14.698 1.00 0.00 C ATOM 306 C6 G B 10 -3.653 -2.733 15.162 1.00 0.00 C ATOM 307 O6 G B 10 -2.703 -1.956 15.219 1.00 0.00 O ATOM 308 N1 G B 10 -4.912 -2.324 15.583 1.00 0.00 N ATOM 309 C2 G B 10 -6.044 -3.111 15.570 1.00 0.00 C ATOM 310 N2 G B 10 -7.173 -2.548 16.013 1.00 0.00 N ATOM 311 N3 G B 10 -6.059 -4.378 15.140 1.00 0.00 N ATOM 312 C4 G B 10 -4.838 -4.796 14.718 1.00 0.00 C ATOM 0 H5' G B 10 -3.696 -10.390 12.288 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.215 -9.774 10.731 1.00 0.00 H new ATOM 0 H4' G B 10 -5.934 -9.502 12.388 1.00 0.00 H new ATOM 0 H3' G B 10 -4.698 -6.889 11.344 1.00 0.00 H new ATOM 0 H2' G B 10 -6.593 -5.812 12.635 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.117 -7.131 13.647 1.00 0.00 H new ATOM 0 H1' G B 10 -6.100 -7.241 14.935 1.00 0.00 H new ATOM 0 H8 G B 10 -2.666 -6.834 13.486 1.00 0.00 H new ATOM 0 H1 G B 10 -5.006 -1.369 15.928 1.00 0.00 H new ATOM 0 H21 G B 10 -8.040 -3.085 16.025 1.00 0.00 H new ATOM 0 H22 G B 10 -7.167 -1.581 16.339 1.00 0.00 H new ATOM 324 P A B 11 -6.498 -6.551 9.435 1.00 0.00 P ATOM 325 OP1 A B 11 -7.341 -7.093 8.347 1.00 0.00 O ATOM 326 OP2 A B 11 -5.172 -5.977 9.118 1.00 0.00 O ATOM 327 O5' A B 11 -7.352 -5.428 10.218 1.00 0.00 O ATOM 328 C5' A B 11 -8.704 -5.649 10.554 1.00 0.00 C ATOM 329 C4' A B 11 -9.252 -4.446 11.326 1.00 0.00 C ATOM 330 O4' A B 11 -8.466 -4.175 12.489 1.00 0.00 O ATOM 331 C3' A B 11 -9.238 -3.153 10.534 1.00 0.00 C ATOM 332 O3' A B 11 -10.319 -3.063 9.629 1.00 0.00 O ATOM 333 C2' A B 11 -9.356 -2.139 11.636 1.00 0.00 C ATOM 334 O2' A B 11 -10.689 -2.091 12.102 1.00 0.00 O ATOM 335 C1' A B 11 -8.470 -2.753 12.714 1.00 0.00 C ATOM 336 N9 A B 11 -7.093 -2.216 12.597 1.00 0.00 N ATOM 337 C8 A B 11 -5.946 -2.846 12.184 1.00 0.00 C ATOM 338 N7 A B 11 -4.878 -2.101 12.250 1.00 0.00 N ATOM 339 C5 A B 11 -5.351 -0.884 12.725 1.00 0.00 C ATOM 340 C6 A B 11 -4.716 0.339 13.009 1.00 0.00 C ATOM 341 N6 A B 11 -3.400 0.533 12.863 1.00 0.00 N ATOM 342 N1 A B 11 -5.486 1.357 13.436 1.00 0.00 N ATOM 343 C2 A B 11 -6.794 1.162 13.580 1.00 0.00 C ATOM 344 N3 A B 11 -7.503 0.062 13.362 1.00 0.00 N ATOM 345 C4 A B 11 -6.703 -0.939 12.926 1.00 0.00 C ATOM 0 H5' A B 11 -8.795 -6.552 11.158 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.291 -5.810 9.650 1.00 0.00 H new ATOM 0 H4' A B 11 -10.276 -4.732 11.564 1.00 0.00 H new ATOM 0 H3' A B 11 -8.359 -3.036 9.900 1.00 0.00 H new ATOM 0 H2' A B 11 -9.081 -1.126 11.342 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.292 -2.422 11.404 1.00 0.00 H new ATOM 0 H1' A B 11 -8.841 -2.517 13.711 1.00 0.00 H new ATOM 0 H8 A B 11 -5.929 -3.868 11.835 1.00 0.00 H new ATOM 0 H61 A B 11 -2.991 1.441 13.084 1.00 0.00 H new ATOM 0 H62 A B 11 -2.806 -0.227 12.531 1.00 0.00 H new ATOM 0 H2 A B 11 -7.357 2.018 13.922 1.00 0.00 H new ATOM 357 P U B 12 -10.064 -2.750 8.076 1.00 0.00 P ATOM 358 OP1 U B 12 -11.344 -2.896 7.348 1.00 0.00 O ATOM 359 OP2 U B 12 -8.868 -3.498 7.634 1.00 0.00 O ATOM 360 O5' U B 12 -9.696 -1.186 8.152 1.00 0.00 O ATOM 361 C5' U B 12 -10.687 -0.236 8.490 1.00 0.00 C ATOM 362 C4' U B 12 -10.038 1.118 8.778 1.00 0.00 C ATOM 363 O4' U B 12 -9.171 1.038 9.907 1.00 0.00 O ATOM 364 C3' U B 12 -9.170 1.612 7.642 1.00 0.00 C ATOM 365 O3' U B 12 -9.936 2.161 6.584 1.00 0.00 O ATOM 366 C2' U B 12 -8.357 2.658 8.366 1.00 0.00 C ATOM 367 O2' U B 12 -9.140 3.815 8.564 1.00 0.00 O ATOM 368 C1' U B 12 -8.120 1.996 9.726 1.00 0.00 C ATOM 369 N1 U B 12 -6.798 1.322 9.743 1.00 0.00 N ATOM 370 C2 U B 12 -5.690 2.118 9.979 1.00 0.00 C ATOM 371 O2 U B 12 -5.790 3.328 10.172 1.00 0.00 O ATOM 372 N3 U B 12 -4.460 1.478 9.989 1.00 0.00 N ATOM 373 C4 U B 12 -4.249 0.125 9.776 1.00 0.00 C ATOM 374 O4 U B 12 -3.113 -0.341 9.794 1.00 0.00 O ATOM 375 C5 U B 12 -5.463 -0.635 9.552 1.00 0.00 C ATOM 376 C6 U B 12 -6.674 -0.030 9.544 1.00 0.00 C ATOM 0 H5' U B 12 -11.244 -0.575 9.364 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.403 -0.139 7.674 1.00 0.00 H new ATOM 0 H4' U B 12 -10.875 1.797 8.941 1.00 0.00 H new ATOM 0 H3' U B 12 -8.580 0.840 7.147 1.00 0.00 H new ATOM 0 H2' U B 12 -7.451 2.953 7.836 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.571 4.544 8.888 1.00 0.00 H new ATOM 0 H1' U B 12 -8.123 2.734 10.528 1.00 0.00 H new ATOM 0 H3 U B 12 -3.638 2.054 10.169 1.00 0.00 H new ATOM 0 H5 U B 12 -5.400 -1.701 9.389 1.00 0.00 H new ATOM 0 H6 U B 12 -7.561 -0.624 9.378 1.00 0.00 H new ATOM 387 P G B 13 -9.237 2.590 5.194 1.00 0.00 P ATOM 388 OP1 G B 13 -10.300 3.001 4.251 1.00 0.00 O ATOM 389 OP2 G B 13 -8.289 1.520 4.811 1.00 0.00 O ATOM 390 O5' G B 13 -8.384 3.898 5.588 1.00 0.00 O ATOM 391 C5' G B 13 -9.019 5.144 5.802 1.00 0.00 C ATOM 392 C4' G B 13 -7.964 6.191 6.167 1.00 0.00 C ATOM 393 O4' G B 13 -7.254 5.820 7.344 1.00 0.00 O ATOM 394 C3' G B 13 -6.900 6.315 5.096 1.00 0.00 C ATOM 395 O3' G B 13 -7.332 7.094 3.993 1.00 0.00 O ATOM 396 C2' G B 13 -5.804 7.000 5.874 1.00 0.00 C ATOM 397 O2' G B 13 -6.034 8.393 5.904 1.00 0.00 O ATOM 398 C1' G B 13 -5.963 6.438 7.281 1.00 0.00 C ATOM 399 N9 G B 13 -4.896 5.453 7.533 1.00 0.00 N ATOM 400 C8 G B 13 -4.934 4.094 7.407 1.00 0.00 C ATOM 401 N7 G B 13 -3.803 3.501 7.677 1.00 0.00 N ATOM 402 C5 G B 13 -2.946 4.550 7.999 1.00 0.00 C ATOM 403 C6 G B 13 -1.568 4.535 8.372 1.00 0.00 C ATOM 404 O6 G B 13 -0.819 3.570 8.515 1.00 0.00 O ATOM 405 N1 G B 13 -1.086 5.817 8.582 1.00 0.00 N ATOM 406 C2 G B 13 -1.821 6.973 8.465 1.00 0.00 C ATOM 407 N2 G B 13 -1.178 8.118 8.717 1.00 0.00 N ATOM 408 N3 G B 13 -3.112 6.996 8.124 1.00 0.00 N ATOM 409 C4 G B 13 -3.609 5.751 7.904 1.00 0.00 C ATOM 0 H5' G B 13 -9.755 5.058 6.601 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.557 5.450 4.905 1.00 0.00 H new ATOM 0 H4' G B 13 -8.516 7.122 6.295 1.00 0.00 H new ATOM 0 H3' G B 13 -6.612 5.368 4.639 1.00 0.00 H new ATOM 0 H2' G B 13 -4.815 6.837 5.447 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.759 8.618 5.284 1.00 0.00 H new ATOM 0 H1' G B 13 -5.885 7.219 8.038 1.00 0.00 H new ATOM 0 H8 G B 13 -5.822 3.557 7.110 1.00 0.00 H new ATOM 0 H1 G B 13 -0.105 5.911 8.845 1.00 0.00 H new ATOM 0 H21 G B 13 -1.673 9.007 8.646 1.00 0.00 H new ATOM 0 H22 G B 13 -0.193 8.102 8.980 1.00 0.00 H new ATOM 421 P U B 14 -6.520 7.075 2.591 1.00 0.00 P ATOM 422 OP1 U B 14 -7.246 7.935 1.631 1.00 0.00 O ATOM 423 OP2 U B 14 -6.251 5.661 2.247 1.00 0.00 O ATOM 424 O5' U B 14 -5.104 7.782 2.923 1.00 0.00 O ATOM 425 C5' U B 14 -4.973 9.190 2.951 1.00 0.00 C ATOM 426 C4' U B 14 -3.500 9.573 3.178 1.00 0.00 C ATOM 427 O4' U B 14 -3.029 9.139 4.460 1.00 0.00 O ATOM 428 C3' U B 14 -2.563 8.923 2.174 1.00 0.00 C ATOM 429 O3' U B 14 -2.546 9.564 0.914 1.00 0.00 O ATOM 430 C2' U B 14 -1.255 9.104 2.894 1.00 0.00 C ATOM 431 O2' U B 14 -0.854 10.456 2.823 1.00 0.00 O ATOM 432 C1' U B 14 -1.636 8.791 4.327 1.00 0.00 C ATOM 433 N1 U B 14 -1.441 7.349 4.620 1.00 0.00 N ATOM 434 C2 U B 14 -0.213 6.957 5.135 1.00 0.00 C ATOM 435 O2 U B 14 0.714 7.747 5.297 1.00 0.00 O ATOM 436 N3 U B 14 -0.087 5.617 5.460 1.00 0.00 N ATOM 437 C4 U B 14 -1.066 4.648 5.317 1.00 0.00 C ATOM 438 O4 U B 14 -0.837 3.480 5.619 1.00 0.00 O ATOM 439 C5 U B 14 -2.318 5.149 4.793 1.00 0.00 C ATOM 440 C6 U B 14 -2.459 6.451 4.461 1.00 0.00 C ATOM 0 H5' U B 14 -5.593 9.606 3.745 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.328 9.616 2.013 1.00 0.00 H new ATOM 0 H4' U B 14 -3.487 10.659 3.082 1.00 0.00 H new ATOM 0 H3' U B 14 -2.834 7.898 1.920 1.00 0.00 H new ATOM 0 H2' U B 14 -0.446 8.495 2.491 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.371 10.914 2.128 1.00 0.00 H new ATOM 0 H1' U B 14 -1.014 9.349 5.027 1.00 0.00 H new ATOM 0 H3 U B 14 0.810 5.316 5.840 1.00 0.00 H new ATOM 0 H5 U B 14 -3.151 4.473 4.666 1.00 0.00 H new ATOM 0 H6 U B 14 -3.402 6.791 4.059 1.00 0.00 H new ATOM 451 P C B 15 -1.845 8.851 -0.360 1.00 0.00 P ATOM 452 OP1 C B 15 -1.865 9.806 -1.489 1.00 0.00 O ATOM 453 OP2 C B 15 -2.458 7.514 -0.521 1.00 0.00 O ATOM 454 O5' C B 15 -0.304 8.639 0.094 1.00 0.00 O ATOM 455 C5' C B 15 0.612 9.716 0.097 1.00 0.00 C ATOM 456 C4' C B 15 2.003 9.223 0.522 1.00 0.00 C ATOM 457 O4' C B 15 2.000 8.655 1.837 1.00 0.00 O ATOM 458 C3' C B 15 2.522 8.117 -0.373 1.00 0.00 C ATOM 459 O3' C B 15 2.994 8.604 -1.615 1.00 0.00 O ATOM 460 C2' C B 15 3.642 7.579 0.488 1.00 0.00 C ATOM 461 O2' C B 15 4.755 8.446 0.423 1.00 0.00 O ATOM 462 C1' C B 15 3.043 7.657 1.893 1.00 0.00 C ATOM 463 N1 C B 15 2.497 6.329 2.287 1.00 0.00 N ATOM 464 C2 C B 15 3.413 5.343 2.643 1.00 0.00 C ATOM 465 O2 C B 15 4.617 5.586 2.647 1.00 0.00 O ATOM 466 N3 C B 15 2.939 4.112 2.983 1.00 0.00 N ATOM 467 C4 C B 15 1.624 3.853 2.970 1.00 0.00 C ATOM 468 N4 C B 15 1.201 2.634 3.314 1.00 0.00 N ATOM 469 C5 C B 15 0.670 4.857 2.610 1.00 0.00 C ATOM 470 C6 C B 15 1.151 6.076 2.285 1.00 0.00 C ATOM 0 H5' C B 15 0.269 10.494 0.779 1.00 0.00 H new ATOM 0 H5'' C B 15 0.663 10.163 -0.896 1.00 0.00 H new ATOM 0 H4' C B 15 2.628 10.114 0.466 1.00 0.00 H new ATOM 0 H3' C B 15 1.772 7.381 -0.663 1.00 0.00 H new ATOM 0 H2' C B 15 3.978 6.585 0.193 1.00 0.00 H new ATOM 0 HO2' C B 15 4.616 9.104 -0.290 1.00 0.00 H new ATOM 0 H1' C B 15 3.792 7.928 2.637 1.00 0.00 H new ATOM 0 H41 C B 15 0.204 2.420 3.310 1.00 0.00 H new ATOM 0 H42 C B 15 1.875 1.917 3.581 1.00 0.00 H new ATOM 0 H5 C B 15 -0.390 4.649 2.599 1.00 0.00 H new ATOM 0 H6 C B 15 0.463 6.865 2.019 1.00 0.00 H new ATOM 482 P C B 16 3.290 7.593 -2.839 1.00 0.00 P ATOM 483 OP1 C B 16 3.788 8.389 -3.983 1.00 0.00 O ATOM 484 OP2 C B 16 2.101 6.729 -3.010 1.00 0.00 O ATOM 485 O5' C B 16 4.499 6.672 -2.306 1.00 0.00 O ATOM 486 C5' C B 16 5.829 7.150 -2.285 1.00 0.00 C ATOM 487 C4' C B 16 6.758 6.035 -1.796 1.00 0.00 C ATOM 488 O4' C B 16 6.440 5.629 -0.473 1.00 0.00 O ATOM 489 C3' C B 16 6.612 4.775 -2.618 1.00 0.00 C ATOM 490 O3' C B 16 7.258 4.860 -3.869 1.00 0.00 O ATOM 491 C2' C B 16 7.259 3.767 -1.722 1.00 0.00 C ATOM 492 O2' C B 16 8.664 3.859 -1.834 1.00 0.00 O ATOM 493 C1' C B 16 6.820 4.249 -0.344 1.00 0.00 C ATOM 494 N1 C B 16 5.667 3.429 0.094 1.00 0.00 N ATOM 495 C2 C B 16 5.940 2.204 0.697 1.00 0.00 C ATOM 496 O2 C B 16 7.100 1.869 0.925 1.00 0.00 O ATOM 497 N3 C B 16 4.892 1.395 1.016 1.00 0.00 N ATOM 498 C4 C B 16 3.633 1.762 0.743 1.00 0.00 C ATOM 499 N4 C B 16 2.633 0.940 1.074 1.00 0.00 N ATOM 500 C5 C B 16 3.343 3.009 0.100 1.00 0.00 C ATOM 501 C6 C B 16 4.388 3.804 -0.198 1.00 0.00 C ATOM 0 H5' C B 16 5.906 8.017 -1.629 1.00 0.00 H new ATOM 0 H5'' C B 16 6.126 7.476 -3.282 1.00 0.00 H new ATOM 0 H4' C B 16 7.760 6.458 -1.870 1.00 0.00 H new ATOM 0 H3' C B 16 5.581 4.545 -2.885 1.00 0.00 H new ATOM 0 H2' C B 16 6.991 2.734 -1.943 1.00 0.00 H new ATOM 0 HO2' C B 16 8.900 4.191 -2.725 1.00 0.00 H new ATOM 0 HO3' C B 16 7.134 4.020 -4.359 1.00 0.00 H new ATOM 0 H1' C B 16 7.617 4.154 0.393 1.00 0.00 H new ATOM 0 H41 C B 16 1.668 1.204 0.873 1.00 0.00 H new ATOM 0 H42 C B 16 2.834 0.049 1.527 1.00 0.00 H new ATOM 0 H5 C B 16 2.330 3.299 -0.136 1.00 0.00 H new ATOM 0 H6 C B 16 4.211 4.756 -0.677 1.00 0.00 H new TER 514 C B 16