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= -0.385 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= -0.248 USER MOD Single : A 3 G O2' : rot 180:sc= -0.416 USER MOD Single : A 4 G O2' : rot -31:sc= 0.0102 USER MOD Single : A 5 U O2' : rot 180:sc= -0.311 USER MOD Single : A 6 C O2' : rot 180:sc= -0.383 USER MOD Single : A 7 U O2' : rot 180:sc= -0.423 USER MOD Single : A 8 C O2' : rot -17:sc= 0.117 USER MOD Single : A 8 C O3' : rot 180:sc= 0.14 USER MOD Single : B 9 G O2' : rot 180:sc= -0.388 USER MOD Single : B 9 G O5' : rot 31:sc= 0.0869 USER MOD Single : B 10 A O2' : rot 180:sc= -0.213 USER MOD Single : B 11 G O2' : rot 180:sc= -0.381 USER MOD Single : B 12 G O2' : rot -21:sc= -0.249 USER MOD Single : B 13 U O2' : rot -16:sc= -0.229 USER MOD Single : B 14 C O2' : rot 180:sc= -0.357 USER MOD Single : B 15 U O2' : rot 180:sc= -0.438 USER MOD Single : B 16 C O2' : rot -20:sc= 0.109 USER MOD Single : B 16 C O3' : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.437 -8.865 4.283 1.00 0.00 O ATOM 2 C5' G A 1 6.804 -9.184 4.129 1.00 0.00 C ATOM 3 C4' G A 1 7.604 -7.931 3.757 1.00 0.00 C ATOM 4 O4' G A 1 7.182 -7.395 2.506 1.00 0.00 O ATOM 5 C3' G A 1 7.429 -6.800 4.752 1.00 0.00 C ATOM 6 O3' G A 1 8.188 -6.992 5.929 1.00 0.00 O ATOM 7 C2' G A 1 7.940 -5.645 3.927 1.00 0.00 C ATOM 8 O2' G A 1 9.351 -5.677 3.868 1.00 0.00 O ATOM 9 C1' G A 1 7.384 -5.973 2.546 1.00 0.00 C ATOM 10 N9 G A 1 6.095 -5.280 2.360 1.00 0.00 N ATOM 11 C8 G A 1 4.827 -5.744 2.587 1.00 0.00 C ATOM 12 N7 G A 1 3.889 -4.879 2.319 1.00 0.00 N ATOM 13 C5 G A 1 4.585 -3.754 1.890 1.00 0.00 C ATOM 14 C6 G A 1 4.100 -2.482 1.468 1.00 0.00 C ATOM 15 O6 G A 1 2.935 -2.103 1.374 1.00 0.00 O ATOM 16 N1 G A 1 5.142 -1.619 1.142 1.00 0.00 N ATOM 17 C2 G A 1 6.481 -1.938 1.207 1.00 0.00 C ATOM 18 N2 G A 1 7.346 -0.979 0.862 1.00 0.00 N ATOM 19 N3 G A 1 6.939 -3.133 1.594 1.00 0.00 N ATOM 20 C4 G A 1 5.939 -3.988 1.921 1.00 0.00 C ATOM 0 H5' G A 1 6.922 -9.942 3.355 1.00 0.00 H new ATOM 0 H5'' G A 1 7.192 -9.610 5.055 1.00 0.00 H new ATOM 0 H4' G A 1 8.640 -8.269 3.734 1.00 0.00 H new ATOM 0 H3' G A 1 6.414 -6.681 5.131 1.00 0.00 H new ATOM 0 H2' G A 1 7.653 -4.669 4.317 1.00 0.00 H new ATOM 0 HO2' G A 1 9.673 -4.924 3.330 1.00 0.00 H new ATOM 0 HO5' G A 1 4.937 -9.674 4.519 1.00 0.00 H new ATOM 0 H1' G A 1 8.065 -5.653 1.757 1.00 0.00 H new ATOM 0 H8 G A 1 4.622 -6.738 2.955 1.00 0.00 H new ATOM 0 H1 G A 1 4.896 -0.679 0.831 1.00 0.00 H new ATOM 0 H21 G A 1 8.349 -1.162 0.892 1.00 0.00 H new ATOM 0 H22 G A 1 7.003 -0.064 0.569 1.00 0.00 H new ATOM 33 P A A 2 7.894 -6.113 7.251 1.00 0.00 P ATOM 34 OP1 A A 2 8.878 -6.497 8.287 1.00 0.00 O ATOM 35 OP2 A A 2 6.446 -6.208 7.543 1.00 0.00 O ATOM 36 O5' A A 2 8.212 -4.603 6.791 1.00 0.00 O ATOM 37 C5' A A 2 9.542 -4.147 6.648 1.00 0.00 C ATOM 38 C4' A A 2 9.527 -2.688 6.189 1.00 0.00 C ATOM 39 O4' A A 2 8.827 -2.540 4.960 1.00 0.00 O ATOM 40 C3' A A 2 8.790 -1.794 7.160 1.00 0.00 C ATOM 41 O3' A A 2 9.560 -1.505 8.315 1.00 0.00 O ATOM 42 C2' A A 2 8.563 -0.583 6.295 1.00 0.00 C ATOM 43 O2' A A 2 9.758 0.163 6.196 1.00 0.00 O ATOM 44 C1' A A 2 8.269 -1.219 4.935 1.00 0.00 C ATOM 45 N9 A A 2 6.808 -1.281 4.706 1.00 0.00 N ATOM 46 C8 A A 2 5.950 -2.343 4.858 1.00 0.00 C ATOM 47 N7 A A 2 4.707 -2.062 4.575 1.00 0.00 N ATOM 48 C5 A A 2 4.743 -0.720 4.207 1.00 0.00 C ATOM 49 C6 A A 2 3.746 0.185 3.790 1.00 0.00 C ATOM 50 N6 A A 2 2.454 -0.146 3.671 1.00 0.00 N ATOM 51 N1 A A 2 4.126 1.443 3.497 1.00 0.00 N ATOM 52 C2 A A 2 5.410 1.772 3.614 1.00 0.00 C ATOM 53 N3 A A 2 6.434 1.020 3.995 1.00 0.00 N ATOM 54 C4 A A 2 6.021 -0.237 4.281 1.00 0.00 C ATOM 0 H5' A A 2 10.074 -4.763 5.923 1.00 0.00 H new ATOM 0 H5'' A A 2 10.074 -4.237 7.595 1.00 0.00 H new ATOM 0 H4' A A 2 10.577 -2.408 6.104 1.00 0.00 H new ATOM 0 H3' A A 2 7.880 -2.225 7.576 1.00 0.00 H new ATOM 0 H2' A A 2 7.786 0.085 6.666 1.00 0.00 H new ATOM 0 HO2' A A 2 9.607 0.950 5.631 1.00 0.00 H new ATOM 0 H1' A A 2 8.705 -0.631 4.127 1.00 0.00 H new ATOM 0 H8 A A 2 6.274 -3.321 5.182 1.00 0.00 H new ATOM 0 H61 A A 2 1.775 0.551 3.364 1.00 0.00 H new ATOM 0 H62 A A 2 2.149 -1.095 3.887 1.00 0.00 H new ATOM 0 H2 A A 2 5.652 2.794 3.364 1.00 0.00 H new ATOM 66 P G A 3 8.879 -0.862 9.632 1.00 0.00 P ATOM 67 OP1 G A 3 9.937 -0.666 10.648 1.00 0.00 O ATOM 68 OP2 G A 3 7.684 -1.668 9.964 1.00 0.00 O ATOM 69 O5' G A 3 8.381 0.588 9.144 1.00 0.00 O ATOM 70 C5' G A 3 9.291 1.654 8.962 1.00 0.00 C ATOM 71 C4' G A 3 8.519 2.868 8.447 1.00 0.00 C ATOM 72 O4' G A 3 7.850 2.556 7.232 1.00 0.00 O ATOM 73 C3' G A 3 7.430 3.300 9.391 1.00 0.00 C ATOM 74 O3' G A 3 7.939 4.028 10.498 1.00 0.00 O ATOM 75 C2' G A 3 6.630 4.177 8.457 1.00 0.00 C ATOM 76 O2' G A 3 7.262 5.430 8.315 1.00 0.00 O ATOM 77 C1' G A 3 6.730 3.433 7.127 1.00 0.00 C ATOM 78 N9 G A 3 5.484 2.678 6.908 1.00 0.00 N ATOM 79 C8 G A 3 5.220 1.348 7.111 1.00 0.00 C ATOM 80 N7 G A 3 3.983 1.013 6.864 1.00 0.00 N ATOM 81 C5 G A 3 3.384 2.209 6.474 1.00 0.00 C ATOM 82 C6 G A 3 2.039 2.482 6.087 1.00 0.00 C ATOM 83 O6 G A 3 1.095 1.700 6.000 1.00 0.00 O ATOM 84 N1 G A 3 1.858 3.829 5.787 1.00 0.00 N ATOM 85 C2 G A 3 2.845 4.791 5.841 1.00 0.00 C ATOM 86 N2 G A 3 2.496 6.036 5.509 1.00 0.00 N ATOM 87 N3 G A 3 4.104 4.536 6.197 1.00 0.00 N ATOM 88 C4 G A 3 4.300 3.230 6.500 1.00 0.00 C ATOM 0 H5' G A 3 10.069 1.371 8.253 1.00 0.00 H new ATOM 0 H5'' G A 3 9.788 1.892 9.902 1.00 0.00 H new ATOM 0 H4' G A 3 9.265 3.654 8.328 1.00 0.00 H new ATOM 0 H3' G A 3 6.874 2.488 9.860 1.00 0.00 H new ATOM 0 H2' G A 3 5.611 4.352 8.802 1.00 0.00 H new ATOM 0 HO2' G A 3 6.739 5.993 7.708 1.00 0.00 H new ATOM 0 H1' G A 3 6.863 4.111 6.284 1.00 0.00 H new ATOM 0 H8 G A 3 5.967 0.643 7.445 1.00 0.00 H new ATOM 0 H1 G A 3 0.924 4.128 5.506 1.00 0.00 H new ATOM 0 H21 G A 3 3.190 6.784 5.533 1.00 0.00 H new ATOM 0 H22 G A 3 1.536 6.240 5.232 1.00 0.00 H new ATOM 100 P G A 4 6.958 4.571 11.665 1.00 0.00 P ATOM 101 OP1 G A 4 7.800 5.053 12.782 1.00 0.00 O ATOM 102 OP2 G A 4 5.934 3.532 11.916 1.00 0.00 O ATOM 103 O5' G A 4 6.218 5.853 11.010 1.00 0.00 O ATOM 104 C5' G A 4 6.910 7.074 10.809 1.00 0.00 C ATOM 105 C4' G A 4 5.935 8.144 10.297 1.00 0.00 C ATOM 106 O4' G A 4 5.323 7.753 9.065 1.00 0.00 O ATOM 107 C3' G A 4 4.795 8.381 11.269 1.00 0.00 C ATOM 108 O3' G A 4 5.157 9.266 12.312 1.00 0.00 O ATOM 109 C2' G A 4 3.783 9.017 10.350 1.00 0.00 C ATOM 110 O2' G A 4 4.165 10.352 10.087 1.00 0.00 O ATOM 111 C1' G A 4 3.958 8.209 9.076 1.00 0.00 C ATOM 112 N9 G A 4 3.053 7.044 9.062 1.00 0.00 N ATOM 113 C8 G A 4 3.366 5.725 9.226 1.00 0.00 C ATOM 114 N7 G A 4 2.353 4.915 9.097 1.00 0.00 N ATOM 115 C5 G A 4 1.282 5.762 8.828 1.00 0.00 C ATOM 116 C6 G A 4 -0.091 5.455 8.590 1.00 0.00 C ATOM 117 O6 G A 4 -0.631 4.353 8.561 1.00 0.00 O ATOM 118 N1 G A 4 -0.844 6.605 8.379 1.00 0.00 N ATOM 119 C2 G A 4 -0.342 7.889 8.376 1.00 0.00 C ATOM 120 N2 G A 4 -1.219 8.874 8.155 1.00 0.00 N ATOM 121 N3 G A 4 0.948 8.180 8.586 1.00 0.00 N ATOM 122 C4 G A 4 1.700 7.071 8.809 1.00 0.00 C ATOM 0 H5' G A 4 7.718 6.931 10.091 1.00 0.00 H new ATOM 0 H5'' G A 4 7.367 7.402 11.743 1.00 0.00 H new ATOM 0 H4' G A 4 6.537 9.044 10.172 1.00 0.00 H new ATOM 0 H3' G A 4 4.456 7.483 11.786 1.00 0.00 H new ATOM 0 H2' G A 4 2.769 9.026 10.749 1.00 0.00 H new ATOM 0 HO2' G A 4 4.636 10.717 10.865 1.00 0.00 H new ATOM 0 H1' G A 4 3.725 8.819 8.203 1.00 0.00 H new ATOM 0 H8 G A 4 4.367 5.382 9.444 1.00 0.00 H new ATOM 0 H1 G A 4 -1.844 6.490 8.214 1.00 0.00 H new ATOM 0 H21 G A 4 -0.904 9.844 8.142 1.00 0.00 H new ATOM 0 H22 G A 4 -2.203 8.655 8.000 1.00 0.00 H new ATOM 134 P U A 5 4.344 9.279 13.704 1.00 0.00 P ATOM 135 OP1 U A 5 4.752 10.481 14.464 1.00 0.00 O ATOM 136 OP2 U A 5 4.480 7.941 14.319 1.00 0.00 O ATOM 137 O5' U A 5 2.806 9.463 13.258 1.00 0.00 O ATOM 138 C5' U A 5 2.287 10.720 12.877 1.00 0.00 C ATOM 139 C4' U A 5 0.784 10.587 12.591 1.00 0.00 C ATOM 140 O4' U A 5 0.490 9.818 11.417 1.00 0.00 O ATOM 141 C3' U A 5 0.045 9.924 13.719 1.00 0.00 C ATOM 142 O3' U A 5 -0.161 10.795 14.815 1.00 0.00 O ATOM 143 C2' U A 5 -1.234 9.606 12.995 1.00 0.00 C ATOM 144 O2' U A 5 -1.988 10.783 12.789 1.00 0.00 O ATOM 145 C1' U A 5 -0.734 9.101 11.665 1.00 0.00 C ATOM 146 N1 U A 5 -0.443 7.651 11.735 1.00 0.00 N ATOM 147 C2 U A 5 -1.473 6.751 11.483 1.00 0.00 C ATOM 148 O2 U A 5 -2.624 7.113 11.238 1.00 0.00 O ATOM 149 N3 U A 5 -1.130 5.408 11.523 1.00 0.00 N ATOM 150 C4 U A 5 0.130 4.896 11.794 1.00 0.00 C ATOM 151 O4 U A 5 0.323 3.684 11.809 1.00 0.00 O ATOM 152 C5 U A 5 1.135 5.907 12.040 1.00 0.00 C ATOM 153 C6 U A 5 0.819 7.222 12.000 1.00 0.00 C ATOM 0 H5' U A 5 2.806 11.086 11.991 1.00 0.00 H new ATOM 0 H5'' U A 5 2.454 11.450 13.669 1.00 0.00 H new ATOM 0 H4' U A 5 0.458 11.618 12.454 1.00 0.00 H new ATOM 0 H3' U A 5 0.551 9.075 14.178 1.00 0.00 H new ATOM 0 H2' U A 5 -1.873 8.906 13.534 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.817 10.562 12.316 1.00 0.00 H new ATOM 0 H1' U A 5 -1.475 9.253 10.880 1.00 0.00 H new ATOM 0 H3 U A 5 -1.873 4.735 11.336 1.00 0.00 H new ATOM 0 H5 U A 5 2.150 5.609 12.258 1.00 0.00 H new ATOM 0 H6 U A 5 1.593 7.953 12.184 1.00 0.00 H new ATOM 164 P C A 6 -0.611 10.217 16.253 1.00 0.00 P ATOM 165 OP1 C A 6 -0.859 11.363 17.155 1.00 0.00 O ATOM 166 OP2 C A 6 0.355 9.168 16.645 1.00 0.00 O ATOM 167 O5' C A 6 -2.019 9.506 15.945 1.00 0.00 O ATOM 168 C5' C A 6 -3.186 10.266 15.729 1.00 0.00 C ATOM 169 C4' C A 6 -4.338 9.326 15.373 1.00 0.00 C ATOM 170 O4' C A 6 -4.066 8.584 14.183 1.00 0.00 O ATOM 171 C3' C A 6 -4.586 8.285 16.443 1.00 0.00 C ATOM 172 O3' C A 6 -5.283 8.801 17.560 1.00 0.00 O ATOM 173 C2' C A 6 -5.422 7.311 15.655 1.00 0.00 C ATOM 174 O2' C A 6 -6.720 7.835 15.467 1.00 0.00 O ATOM 175 C1' C A 6 -4.702 7.302 14.311 1.00 0.00 C ATOM 176 N1 C A 6 -3.695 6.212 14.294 1.00 0.00 N ATOM 177 C2 C A 6 -4.168 4.924 14.093 1.00 0.00 C ATOM 178 O2 C A 6 -5.366 4.731 13.901 1.00 0.00 O ATOM 179 N3 C A 6 -3.278 3.895 14.117 1.00 0.00 N ATOM 180 C4 C A 6 -1.975 4.118 14.340 1.00 0.00 C ATOM 181 N4 C A 6 -1.137 3.077 14.361 1.00 0.00 N ATOM 182 C5 C A 6 -1.470 5.443 14.545 1.00 0.00 C ATOM 183 C6 C A 6 -2.365 6.454 14.507 1.00 0.00 C ATOM 0 H5' C A 6 -3.024 10.983 14.924 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.432 10.840 16.623 1.00 0.00 H new ATOM 0 H4' C A 6 -5.201 9.981 15.255 1.00 0.00 H new ATOM 0 H3' C A 6 -3.684 7.870 16.892 1.00 0.00 H new ATOM 0 H2' C A 6 -5.526 6.335 16.129 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.259 7.198 14.953 1.00 0.00 H new ATOM 0 H1' C A 6 -5.390 7.129 13.483 1.00 0.00 H new ATOM 0 H41 C A 6 -0.142 3.226 14.529 1.00 0.00 H new ATOM 0 H42 C A 6 -1.492 2.133 14.209 1.00 0.00 H new ATOM 0 H5 C A 6 -0.420 5.625 14.722 1.00 0.00 H new ATOM 0 H6 C A 6 -2.026 7.470 14.647 1.00 0.00 H new ATOM 195 P U A 7 -5.348 7.971 18.945 1.00 0.00 P ATOM 196 OP1 U A 7 -6.183 8.735 19.899 1.00 0.00 O ATOM 197 OP2 U A 7 -3.965 7.600 19.316 1.00 0.00 O ATOM 198 O5' U A 7 -6.139 6.620 18.558 1.00 0.00 O ATOM 199 C5' U A 7 -7.534 6.627 18.345 1.00 0.00 C ATOM 200 C4' U A 7 -8.020 5.201 18.074 1.00 0.00 C ATOM 201 O4' U A 7 -7.393 4.630 16.920 1.00 0.00 O ATOM 202 C3' U A 7 -7.680 4.257 19.209 1.00 0.00 C ATOM 203 O3' U A 7 -8.543 4.395 20.322 1.00 0.00 O ATOM 204 C2' U A 7 -7.875 2.938 18.511 1.00 0.00 C ATOM 205 O2' U A 7 -9.255 2.671 18.364 1.00 0.00 O ATOM 206 C1' U A 7 -7.286 3.208 17.135 1.00 0.00 C ATOM 207 N1 U A 7 -5.866 2.762 17.075 1.00 0.00 N ATOM 208 C2 U A 7 -5.637 1.399 16.931 1.00 0.00 C ATOM 209 O2 U A 7 -6.555 0.583 16.877 1.00 0.00 O ATOM 210 N3 U A 7 -4.314 1.004 16.847 1.00 0.00 N ATOM 211 C4 U A 7 -3.210 1.837 16.897 1.00 0.00 C ATOM 212 O4 U A 7 -2.075 1.372 16.824 1.00 0.00 O ATOM 213 C5 U A 7 -3.535 3.241 17.033 1.00 0.00 C ATOM 214 C6 U A 7 -4.823 3.655 17.114 1.00 0.00 C ATOM 0 H5' U A 7 -7.780 7.272 17.501 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.043 7.036 19.218 1.00 0.00 H new ATOM 0 H4' U A 7 -9.097 5.300 17.942 1.00 0.00 H new ATOM 0 H3' U A 7 -6.694 4.416 19.645 1.00 0.00 H new ATOM 0 H2' U A 7 -7.428 2.097 19.041 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.375 1.812 17.908 1.00 0.00 H new ATOM 0 H1' U A 7 -7.819 2.657 16.360 1.00 0.00 H new ATOM 0 H3 U A 7 -4.135 0.006 16.738 1.00 0.00 H new ATOM 0 H5 U A 7 -2.739 3.970 17.071 1.00 0.00 H new ATOM 0 H6 U A 7 -5.034 4.710 17.211 1.00 0.00 H new ATOM 225 P C A 8 -8.194 3.675 21.729 1.00 0.00 P ATOM 226 OP1 C A 8 -9.284 3.978 22.683 1.00 0.00 O ATOM 227 OP2 C A 8 -6.798 4.017 22.080 1.00 0.00 O ATOM 228 O5' C A 8 -8.248 2.097 21.391 1.00 0.00 O ATOM 229 C5' C A 8 -9.483 1.425 21.241 1.00 0.00 C ATOM 230 C4' C A 8 -9.230 -0.058 20.952 1.00 0.00 C ATOM 231 O4' C A 8 -8.462 -0.247 19.769 1.00 0.00 O ATOM 232 C3' C A 8 -8.420 -0.729 22.037 1.00 0.00 C ATOM 233 O3' C A 8 -9.175 -0.992 23.200 1.00 0.00 O ATOM 234 C2' C A 8 -8.011 -1.991 21.332 1.00 0.00 C ATOM 235 O2' C A 8 -9.098 -2.891 21.293 1.00 0.00 O ATOM 236 C1' C A 8 -7.727 -1.476 19.920 1.00 0.00 C ATOM 237 N1 C A 8 -6.267 -1.242 19.762 1.00 0.00 N ATOM 238 C2 C A 8 -5.457 -2.355 19.567 1.00 0.00 C ATOM 239 O2 C A 8 -5.954 -3.477 19.503 1.00 0.00 O ATOM 240 N3 C A 8 -4.112 -2.164 19.453 1.00 0.00 N ATOM 241 C4 C A 8 -3.582 -0.935 19.530 1.00 0.00 C ATOM 242 N4 C A 8 -2.259 -0.791 19.403 1.00 0.00 N ATOM 243 C5 C A 8 -4.403 0.219 19.740 1.00 0.00 C ATOM 244 C6 C A 8 -5.733 0.013 19.846 1.00 0.00 C ATOM 0 H5' C A 8 -10.055 1.872 20.428 1.00 0.00 H new ATOM 0 H5'' C A 8 -10.079 1.533 22.147 1.00 0.00 H new ATOM 0 H4' C A 8 -10.229 -0.487 20.869 1.00 0.00 H new ATOM 0 H3' C A 8 -7.593 -0.126 22.413 1.00 0.00 H new ATOM 0 H2' C A 8 -7.178 -2.515 21.800 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.772 -2.619 21.950 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.605 -1.427 23.868 1.00 0.00 H new ATOM 0 H1' C A 8 -8.032 -2.196 19.160 1.00 0.00 H new ATOM 0 H41 C A 8 -1.839 0.137 19.459 1.00 0.00 H new ATOM 0 H42 C A 8 -1.669 -1.609 19.250 1.00 0.00 H new ATOM 0 H5 C A 8 -3.978 1.209 19.810 1.00 0.00 H new ATOM 0 H6 C A 8 -6.388 0.857 20.000 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.055 -11.168 15.572 1.00 0.00 O ATOM 259 C5' G B 9 2.825 -10.447 16.762 1.00 0.00 C ATOM 260 C4' G B 9 1.322 -10.364 17.034 1.00 0.00 C ATOM 261 O4' G B 9 1.060 -9.640 18.236 1.00 0.00 O ATOM 262 C3' G B 9 0.582 -9.610 15.945 1.00 0.00 C ATOM 263 O3' G B 9 0.332 -10.407 14.803 1.00 0.00 O ATOM 264 C2' G B 9 -0.689 -9.262 16.677 1.00 0.00 C ATOM 265 O2' G B 9 -1.521 -10.400 16.772 1.00 0.00 O ATOM 266 C1' G B 9 -0.169 -8.919 18.064 1.00 0.00 C ATOM 267 N9 G B 9 0.089 -7.468 18.141 1.00 0.00 N ATOM 268 C8 G B 9 1.252 -6.786 17.906 1.00 0.00 C ATOM 269 N7 G B 9 1.152 -5.495 18.061 1.00 0.00 N ATOM 270 C5 G B 9 -0.180 -5.305 18.417 1.00 0.00 C ATOM 271 C6 G B 9 -0.889 -4.102 18.706 1.00 0.00 C ATOM 272 O6 G B 9 -0.462 -2.950 18.721 1.00 0.00 O ATOM 273 N1 G B 9 -2.226 -4.353 18.994 1.00 0.00 N ATOM 274 C2 G B 9 -2.810 -5.602 19.010 1.00 0.00 C ATOM 275 N2 G B 9 -4.113 -5.653 19.303 1.00 0.00 N ATOM 276 N3 G B 9 -2.147 -6.732 18.748 1.00 0.00 N ATOM 277 C4 G B 9 -0.840 -6.509 18.459 1.00 0.00 C ATOM 0 H5' G B 9 3.245 -9.445 16.678 1.00 0.00 H new ATOM 0 H5'' G B 9 3.329 -10.934 17.597 1.00 0.00 H new ATOM 0 H4' G B 9 0.983 -11.398 17.092 1.00 0.00 H new ATOM 0 H3' G B 9 1.128 -8.759 15.538 1.00 0.00 H new ATOM 0 H2' G B 9 -1.269 -8.474 16.197 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.344 -10.165 17.250 1.00 0.00 H new ATOM 0 HO5' G B 9 2.303 -11.034 14.958 1.00 0.00 H new ATOM 0 H1' G B 9 -0.889 -9.186 18.838 1.00 0.00 H new ATOM 0 H8 G B 9 2.171 -7.274 17.618 1.00 0.00 H new ATOM 0 H1 G B 9 -2.820 -3.552 19.210 1.00 0.00 H new ATOM 0 H21 G B 9 -4.595 -6.551 19.329 1.00 0.00 H new ATOM 0 H22 G B 9 -4.625 -4.793 19.501 1.00 0.00 H new ATOM 290 P A B 10 -0.116 -9.730 13.406 1.00 0.00 P ATOM 291 OP1 A B 10 -0.363 -10.813 12.428 1.00 0.00 O ATOM 292 OP2 A B 10 0.859 -8.663 13.088 1.00 0.00 O ATOM 293 O5' A B 10 -1.526 -9.030 13.747 1.00 0.00 O ATOM 294 C5' A B 10 -2.709 -9.793 13.880 1.00 0.00 C ATOM 295 C4' A B 10 -3.877 -8.858 14.205 1.00 0.00 C ATOM 296 O4' A B 10 -3.635 -8.124 15.400 1.00 0.00 O ATOM 297 C3' A B 10 -4.074 -7.804 13.140 1.00 0.00 C ATOM 298 O3' A B 10 -4.713 -8.321 11.983 1.00 0.00 O ATOM 299 C2' A B 10 -4.936 -6.822 13.887 1.00 0.00 C ATOM 300 O2' A B 10 -6.262 -7.304 13.952 1.00 0.00 O ATOM 301 C1' A B 10 -4.327 -6.872 15.288 1.00 0.00 C ATOM 302 N9 A B 10 -3.383 -5.746 15.473 1.00 0.00 N ATOM 303 C8 A B 10 -2.013 -5.740 15.391 1.00 0.00 C ATOM 304 N7 A B 10 -1.475 -4.570 15.605 1.00 0.00 N ATOM 305 C5 A B 10 -2.566 -3.741 15.849 1.00 0.00 C ATOM 306 C6 A B 10 -2.676 -2.368 16.147 1.00 0.00 C ATOM 307 N6 A B 10 -1.621 -1.552 16.253 1.00 0.00 N ATOM 308 N1 A B 10 -3.912 -1.866 16.333 1.00 0.00 N ATOM 309 C2 A B 10 -4.961 -2.677 16.228 1.00 0.00 C ATOM 310 N3 A B 10 -4.989 -3.975 15.954 1.00 0.00 N ATOM 311 C4 A B 10 -3.733 -4.451 15.772 1.00 0.00 C ATOM 0 H5' A B 10 -2.591 -10.535 14.670 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.910 -10.338 12.958 1.00 0.00 H new ATOM 0 H4' A B 10 -4.746 -9.510 14.289 1.00 0.00 H new ATOM 0 H3' A B 10 -3.152 -7.381 12.741 1.00 0.00 H new ATOM 0 H2' A B 10 -4.967 -5.830 13.436 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.820 -6.663 14.440 1.00 0.00 H new ATOM 0 H1' A B 10 -5.099 -6.787 16.052 1.00 0.00 H new ATOM 0 H8 A B 10 -1.433 -6.623 15.169 1.00 0.00 H new ATOM 0 H61 A B 10 -1.759 -0.565 16.471 1.00 0.00 H new ATOM 0 H62 A B 10 -0.678 -1.917 16.116 1.00 0.00 H new ATOM 0 H2 A B 10 -5.924 -2.215 16.388 1.00 0.00 H new ATOM 323 P G B 11 -4.723 -7.492 10.596 1.00 0.00 P ATOM 324 OP1 G B 11 -5.482 -8.275 9.597 1.00 0.00 O ATOM 325 OP2 G B 11 -3.332 -7.081 10.303 1.00 0.00 O ATOM 326 O5' G B 11 -5.569 -6.168 10.940 1.00 0.00 O ATOM 327 C5' G B 11 -6.978 -6.204 11.047 1.00 0.00 C ATOM 328 C4' G B 11 -7.471 -4.809 11.429 1.00 0.00 C ATOM 329 O4' G B 11 -6.883 -4.389 12.655 1.00 0.00 O ATOM 330 C3' G B 11 -7.073 -3.762 10.424 1.00 0.00 C ATOM 331 O3' G B 11 -7.895 -3.792 9.267 1.00 0.00 O ATOM 332 C2' G B 11 -7.308 -2.524 11.255 1.00 0.00 C ATOM 333 O2' G B 11 -8.688 -2.236 11.311 1.00 0.00 O ATOM 334 C1' G B 11 -6.850 -2.962 12.643 1.00 0.00 C ATOM 335 N9 G B 11 -5.481 -2.465 12.870 1.00 0.00 N ATOM 336 C8 G B 11 -4.282 -3.122 12.759 1.00 0.00 C ATOM 337 N7 G B 11 -3.243 -2.364 12.980 1.00 0.00 N ATOM 338 C5 G B 11 -3.794 -1.114 13.254 1.00 0.00 C ATOM 339 C6 G B 11 -3.159 0.125 13.563 1.00 0.00 C ATOM 340 O6 G B 11 -1.958 0.362 13.670 1.00 0.00 O ATOM 341 N1 G B 11 -4.089 1.142 13.752 1.00 0.00 N ATOM 342 C2 G B 11 -5.456 0.989 13.666 1.00 0.00 C ATOM 343 N2 G B 11 -6.201 2.075 13.886 1.00 0.00 N ATOM 344 N3 G B 11 -6.053 -0.169 13.382 1.00 0.00 N ATOM 345 C4 G B 11 -5.164 -1.172 13.187 1.00 0.00 C ATOM 0 H5' G B 11 -7.282 -6.932 11.799 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.422 -6.517 10.102 1.00 0.00 H new ATOM 0 H4' G B 11 -8.556 -4.894 11.490 1.00 0.00 H new ATOM 0 H3' G B 11 -6.067 -3.866 10.018 1.00 0.00 H new ATOM 0 H2' G B 11 -6.798 -1.643 10.866 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.833 -1.432 11.852 1.00 0.00 H new ATOM 0 H1' G B 11 -7.489 -2.566 13.432 1.00 0.00 H new ATOM 0 H8 G B 11 -4.205 -4.170 12.511 1.00 0.00 H new ATOM 0 H1 G B 11 -3.732 2.072 13.971 1.00 0.00 H new ATOM 0 H21 G B 11 -7.218 2.015 13.834 1.00 0.00 H new ATOM 0 H22 G B 11 -5.753 2.965 14.106 1.00 0.00 H new ATOM 357 P G B 12 -7.640 -2.775 8.034 1.00 0.00 P ATOM 358 OP1 G B 12 -8.473 -3.221 6.896 1.00 0.00 O ATOM 359 OP2 G B 12 -6.177 -2.632 7.859 1.00 0.00 O ATOM 360 O5' G B 12 -8.222 -1.357 8.552 1.00 0.00 O ATOM 361 C5' G B 12 -9.618 -1.135 8.660 1.00 0.00 C ATOM 362 C4' G B 12 -9.883 0.327 9.048 1.00 0.00 C ATOM 363 O4' G B 12 -9.268 0.660 10.297 1.00 0.00 O ATOM 364 C3' G B 12 -9.309 1.295 8.030 1.00 0.00 C ATOM 365 O3' G B 12 -10.175 1.477 6.926 1.00 0.00 O ATOM 366 C2' G B 12 -9.213 2.550 8.863 1.00 0.00 C ATOM 367 O2' G B 12 -10.495 3.127 9.009 1.00 0.00 O ATOM 368 C1' G B 12 -8.771 2.007 10.211 1.00 0.00 C ATOM 369 N9 G B 12 -7.298 1.996 10.309 1.00 0.00 N ATOM 370 C8 G B 12 -6.451 0.926 10.258 1.00 0.00 C ATOM 371 N7 G B 12 -5.195 1.230 10.433 1.00 0.00 N ATOM 372 C5 G B 12 -5.208 2.610 10.613 1.00 0.00 C ATOM 373 C6 G B 12 -4.130 3.514 10.849 1.00 0.00 C ATOM 374 O6 G B 12 -2.933 3.262 10.958 1.00 0.00 O ATOM 375 N1 G B 12 -4.575 4.827 10.952 1.00 0.00 N ATOM 376 C2 G B 12 -5.892 5.225 10.861 1.00 0.00 C ATOM 377 N2 G B 12 -6.132 6.534 10.985 1.00 0.00 N ATOM 378 N3 G B 12 -6.908 4.379 10.652 1.00 0.00 N ATOM 379 C4 G B 12 -6.494 3.091 10.534 1.00 0.00 C ATOM 0 H5' G B 12 -10.045 -1.803 9.408 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.106 -1.364 7.713 1.00 0.00 H new ATOM 0 H4' G B 12 -10.968 0.417 9.104 1.00 0.00 H new ATOM 0 H3' G B 12 -8.370 0.969 7.582 1.00 0.00 H new ATOM 0 H2' G B 12 -8.554 3.307 8.438 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.084 2.800 8.297 1.00 0.00 H new ATOM 0 H1' G B 12 -9.155 2.630 11.019 1.00 0.00 H new ATOM 0 H8 G B 12 -6.792 -0.085 10.087 1.00 0.00 H new ATOM 0 H1 G B 12 -3.874 5.551 11.107 1.00 0.00 H new ATOM 0 H21 G B 12 -7.088 6.885 10.926 1.00 0.00 H new ATOM 0 H22 G B 12 -5.359 7.182 11.139 1.00 0.00 H new ATOM 391 P U B 13 -9.617 2.037 5.521 1.00 0.00 P ATOM 392 OP1 U B 13 -10.777 2.367 4.663 1.00 0.00 O ATOM 393 OP2 U B 13 -8.591 1.091 5.033 1.00 0.00 O ATOM 394 O5' U B 13 -8.874 3.411 5.914 1.00 0.00 O ATOM 395 C5' U B 13 -9.597 4.588 6.205 1.00 0.00 C ATOM 396 C4' U B 13 -8.617 5.739 6.482 1.00 0.00 C ATOM 397 O4' U B 13 -7.877 5.583 7.701 1.00 0.00 O ATOM 398 C3' U B 13 -7.593 5.898 5.390 1.00 0.00 C ATOM 399 O3' U B 13 -8.121 6.542 4.247 1.00 0.00 O ATOM 400 C2' U B 13 -6.597 6.760 6.119 1.00 0.00 C ATOM 401 O2' U B 13 -7.080 8.084 6.242 1.00 0.00 O ATOM 402 C1' U B 13 -6.556 6.120 7.484 1.00 0.00 C ATOM 403 N1 U B 13 -5.568 5.016 7.517 1.00 0.00 N ATOM 404 C2 U B 13 -4.245 5.311 7.831 1.00 0.00 C ATOM 405 O2 U B 13 -3.852 6.459 8.034 1.00 0.00 O ATOM 406 N3 U B 13 -3.383 4.228 7.905 1.00 0.00 N ATOM 407 C4 U B 13 -3.722 2.900 7.695 1.00 0.00 C ATOM 408 O4 U B 13 -2.875 2.016 7.791 1.00 0.00 O ATOM 409 C5 U B 13 -5.115 2.692 7.371 1.00 0.00 C ATOM 410 C6 U B 13 -5.972 3.736 7.297 1.00 0.00 C ATOM 0 H5' U B 13 -10.240 4.428 7.071 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.247 4.844 5.368 1.00 0.00 H new ATOM 0 H4' U B 13 -9.266 6.613 6.547 1.00 0.00 H new ATOM 0 H3' U B 13 -7.197 4.967 4.985 1.00 0.00 H new ATOM 0 H2' U B 13 -5.632 6.820 5.617 1.00 0.00 H new ATOM 0 HO2' U B 13 -7.819 8.222 5.613 1.00 0.00 H new ATOM 0 H1' U B 13 -6.268 6.842 8.248 1.00 0.00 H new ATOM 0 H3 U B 13 -2.409 4.426 8.135 1.00 0.00 H new ATOM 0 H5 U B 13 -5.476 1.691 7.186 1.00 0.00 H new ATOM 0 H6 U B 13 -7.008 3.548 7.056 1.00 0.00 H new ATOM 421 P C B 14 -7.348 6.469 2.832 1.00 0.00 P ATOM 422 OP1 C B 14 -8.054 7.347 1.873 1.00 0.00 O ATOM 423 OP2 C B 14 -7.133 5.043 2.503 1.00 0.00 O ATOM 424 O5' C B 14 -5.917 7.125 3.154 1.00 0.00 O ATOM 425 C5' C B 14 -5.774 8.518 3.313 1.00 0.00 C ATOM 426 C4' C B 14 -4.328 8.836 3.696 1.00 0.00 C ATOM 427 O4' C B 14 -3.962 8.223 4.933 1.00 0.00 O ATOM 428 C3' C B 14 -3.333 8.315 2.680 1.00 0.00 C ATOM 429 O3' C B 14 -3.247 9.135 1.531 1.00 0.00 O ATOM 430 C2' C B 14 -2.072 8.364 3.504 1.00 0.00 C ATOM 431 O2' C B 14 -1.626 9.699 3.629 1.00 0.00 O ATOM 432 C1' C B 14 -2.568 7.885 4.864 1.00 0.00 C ATOM 433 N1 C B 14 -2.378 6.416 4.975 1.00 0.00 N ATOM 434 C2 C B 14 -1.093 5.969 5.246 1.00 0.00 C ATOM 435 O2 C B 14 -0.186 6.776 5.426 1.00 0.00 O ATOM 436 N3 C B 14 -0.872 4.628 5.301 1.00 0.00 N ATOM 437 C4 C B 14 -1.868 3.757 5.094 1.00 0.00 C ATOM 438 N4 C B 14 -1.601 2.449 5.147 1.00 0.00 N ATOM 439 C5 C B 14 -3.203 4.202 4.827 1.00 0.00 C ATOM 440 C6 C B 14 -3.410 5.536 4.784 1.00 0.00 C ATOM 0 H5' C B 14 -6.455 8.880 4.084 1.00 0.00 H new ATOM 0 H5'' C B 14 -6.039 9.030 2.388 1.00 0.00 H new ATOM 0 H4' C B 14 -4.292 9.924 3.757 1.00 0.00 H new ATOM 0 H3' C B 14 -3.579 7.337 2.266 1.00 0.00 H new ATOM 0 H2' C B 14 -1.251 7.784 3.083 1.00 0.00 H new ATOM 0 HO2' C B 14 -0.807 9.721 4.167 1.00 0.00 H new ATOM 0 H1' C B 14 -2.018 8.352 5.681 1.00 0.00 H new ATOM 0 H41 C B 14 -2.346 1.770 4.992 1.00 0.00 H new ATOM 0 H42 C B 14 -0.652 2.130 5.342 1.00 0.00 H new ATOM 0 H5 C B 14 -4.009 3.501 4.667 1.00 0.00 H new ATOM 0 H6 C B 14 -4.404 5.914 4.596 1.00 0.00 H new ATOM 452 P U B 15 -2.538 8.593 0.185 1.00 0.00 P ATOM 453 OP1 U B 15 -2.558 9.684 -0.815 1.00 0.00 O ATOM 454 OP2 U B 15 -3.140 7.284 -0.149 1.00 0.00 O ATOM 455 O5' U B 15 -1.006 8.339 0.619 1.00 0.00 O ATOM 456 C5' U B 15 -0.110 9.417 0.796 1.00 0.00 C ATOM 457 C4' U B 15 1.284 8.873 1.122 1.00 0.00 C ATOM 458 O4' U B 15 1.287 8.095 2.323 1.00 0.00 O ATOM 459 C3' U B 15 1.795 7.932 0.052 1.00 0.00 C ATOM 460 O3' U B 15 2.259 8.602 -1.106 1.00 0.00 O ATOM 461 C2' U B 15 2.920 7.284 0.809 1.00 0.00 C ATOM 462 O2' U B 15 4.005 8.181 0.910 1.00 0.00 O ATOM 463 C1' U B 15 2.319 7.098 2.193 1.00 0.00 C ATOM 464 N1 U B 15 1.763 5.726 2.342 1.00 0.00 N ATOM 465 C2 U B 15 2.669 4.699 2.571 1.00 0.00 C ATOM 466 O2 U B 15 3.881 4.898 2.633 1.00 0.00 O ATOM 467 N3 U B 15 2.137 3.433 2.730 1.00 0.00 N ATOM 468 C4 U B 15 0.794 3.101 2.677 1.00 0.00 C ATOM 469 O4 U B 15 0.435 1.934 2.821 1.00 0.00 O ATOM 470 C5 U B 15 -0.085 4.229 2.447 1.00 0.00 C ATOM 471 C6 U B 15 0.412 5.481 2.293 1.00 0.00 C ATOM 0 H5' U B 15 -0.457 10.064 1.602 1.00 0.00 H new ATOM 0 H5'' U B 15 -0.073 10.025 -0.108 1.00 0.00 H new ATOM 0 H4' U B 15 1.910 9.761 1.210 1.00 0.00 H new ATOM 0 H3' U B 15 1.041 7.255 -0.349 1.00 0.00 H new ATOM 0 H2' U B 15 3.284 6.367 0.345 1.00 0.00 H new ATOM 0 HO2' U B 15 4.736 7.756 1.405 1.00 0.00 H new ATOM 0 H1' U B 15 3.071 7.215 2.973 1.00 0.00 H new ATOM 0 H3 U B 15 2.795 2.673 2.902 1.00 0.00 H new ATOM 0 H5 U B 15 -1.152 4.070 2.397 1.00 0.00 H new ATOM 0 H6 U B 15 -0.269 6.303 2.128 1.00 0.00 H new ATOM 482 P C B 16 2.630 7.772 -2.444 1.00 0.00 P ATOM 483 OP1 C B 16 3.084 8.734 -3.473 1.00 0.00 O ATOM 484 OP2 C B 16 1.504 6.860 -2.741 1.00 0.00 O ATOM 485 O5' C B 16 3.898 6.869 -2.011 1.00 0.00 O ATOM 486 C5' C B 16 5.186 7.437 -1.881 1.00 0.00 C ATOM 487 C4' C B 16 6.192 6.350 -1.487 1.00 0.00 C ATOM 488 O4' C B 16 5.851 5.727 -0.253 1.00 0.00 O ATOM 489 C3' C B 16 6.239 5.212 -2.481 1.00 0.00 C ATOM 490 O3' C B 16 6.922 5.551 -3.670 1.00 0.00 O ATOM 491 C2' C B 16 6.979 4.182 -1.676 1.00 0.00 C ATOM 492 O2' C B 16 8.353 4.506 -1.628 1.00 0.00 O ATOM 493 C1' C B 16 6.364 4.381 -0.290 1.00 0.00 C ATOM 494 N1 C B 16 5.269 3.394 -0.087 1.00 0.00 N ATOM 495 C2 C B 16 5.631 2.092 0.240 1.00 0.00 C ATOM 496 O2 C B 16 6.815 1.795 0.376 1.00 0.00 O ATOM 497 N3 C B 16 4.642 1.167 0.401 1.00 0.00 N ATOM 498 C4 C B 16 3.353 1.503 0.245 1.00 0.00 C ATOM 499 N4 C B 16 2.414 0.568 0.421 1.00 0.00 N ATOM 500 C5 C B 16 2.967 2.837 -0.101 1.00 0.00 C ATOM 501 C6 C B 16 3.958 3.742 -0.252 1.00 0.00 C ATOM 0 H5' C B 16 5.173 8.224 -1.127 1.00 0.00 H new ATOM 0 H5'' C B 16 5.486 7.901 -2.821 1.00 0.00 H new ATOM 0 H4' C B 16 7.143 6.879 -1.434 1.00 0.00 H new ATOM 0 H3' C B 16 5.262 4.894 -2.845 1.00 0.00 H new ATOM 0 H2' C B 16 6.903 3.168 -2.068 1.00 0.00 H new ATOM 0 HO2' C B 16 8.572 5.113 -2.366 1.00 0.00 H new ATOM 0 HO3' C B 16 6.925 4.781 -4.276 1.00 0.00 H new ATOM 0 H1' C B 16 7.098 4.231 0.502 1.00 0.00 H new ATOM 0 H41 C B 16 1.429 0.807 0.306 1.00 0.00 H new ATOM 0 H42 C B 16 2.683 -0.384 0.670 1.00 0.00 H new ATOM 0 H5 C B 16 1.930 3.108 -0.235 1.00 0.00 H new ATOM 0 H6 C B 16 3.709 4.761 -0.508 1.00 0.00 H new TER 514 C B 16