USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -8:sc= 0.33 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -12:sc= -0.256 USER MOD Single : A 3 G O2' : rot -19:sc= 0.309 USER MOD Single : A 4 U O2' : rot -27:sc= 0.268 USER MOD Single : A 5 C O2' : rot -23:sc= 0.227 USER MOD Single : A 6 U O2' : rot -23:sc= 0.0262 USER MOD Single : A 7 U O2' : rot -144:sc= -2.12! USER MOD Single : A 8 C O2' : rot 36:sc= 0.203 USER MOD Single : A 9 G O2' : rot -16:sc= 0.272 USER MOD Single : A 10 G O2' : rot -3:sc= -2.3! USER MOD Single : A 11 G O2' : rot -17:sc= 0.3 USER MOD Single : A 12 U O2' : rot -16:sc= 0.278 USER MOD Single : A 13 C O2' : rot -19:sc= 0.288 USER MOD Single : A 14 C O2' : rot -27:sc= 0.131 USER MOD Single : A 14 C O3' : rot 180:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 9.204 -5.643 4.103 1.00 0.00 O ATOM 2 C5' G A 1 10.349 -6.170 3.426 1.00 0.00 C ATOM 3 C4' G A 1 9.976 -6.795 2.085 1.00 0.00 C ATOM 4 O4' G A 1 9.023 -7.833 2.291 1.00 0.00 O ATOM 5 C3' G A 1 9.285 -5.859 1.115 1.00 0.00 C ATOM 6 O3' G A 1 10.301 -5.208 0.342 1.00 0.00 O ATOM 7 C2' G A 1 8.542 -6.820 0.194 1.00 0.00 C ATOM 8 O2' G A 1 9.419 -7.333 -0.813 1.00 0.00 O ATOM 9 C1' G A 1 8.131 -7.930 1.166 1.00 0.00 C ATOM 10 N9 G A 1 6.777 -7.719 1.687 1.00 0.00 N ATOM 11 C8 G A 1 6.429 -7.144 2.874 1.00 0.00 C ATOM 12 N7 G A 1 5.142 -7.069 3.066 1.00 0.00 N ATOM 13 C5 G A 1 4.600 -7.637 1.916 1.00 0.00 C ATOM 14 C6 G A 1 3.242 -7.837 1.547 1.00 0.00 C ATOM 15 O6 G A 1 2.227 -7.542 2.172 1.00 0.00 O ATOM 16 N1 G A 1 3.136 -8.443 0.309 1.00 0.00 N ATOM 17 C2 G A 1 4.194 -8.812 -0.480 1.00 0.00 C ATOM 18 N2 G A 1 3.907 -9.378 -1.644 1.00 0.00 N ATOM 19 N3 G A 1 5.472 -8.634 -0.151 1.00 0.00 N ATOM 20 C4 G A 1 5.599 -8.041 1.062 1.00 0.00 C ATOM 0 H5' G A 1 10.830 -6.919 4.055 1.00 0.00 H new ATOM 0 H5'' G A 1 11.076 -5.373 3.266 1.00 0.00 H new ATOM 0 H4' G A 1 10.930 -7.119 1.670 1.00 0.00 H new ATOM 0 H3' G A 1 8.648 -5.112 1.588 1.00 0.00 H new ATOM 0 H2' G A 1 7.708 -6.366 -0.342 1.00 0.00 H new ATOM 0 HO2' G A 1 10.278 -6.863 -0.769 1.00 0.00 H new ATOM 0 HO5' G A 1 9.481 -5.253 4.958 1.00 0.00 H new ATOM 0 H1' G A 1 8.167 -8.890 0.651 1.00 0.00 H new ATOM 0 H8 G A 1 7.154 -6.784 3.589 1.00 0.00 H new ATOM 0 H1 G A 1 2.198 -8.630 -0.045 1.00 0.00 H new ATOM 0 H21 G A 1 4.659 -9.671 -2.268 1.00 0.00 H new ATOM 0 H22 G A 1 2.934 -9.521 -1.916 1.00 0.00 H new ATOM 33 P G A 2 10.104 -3.687 -0.159 1.00 0.00 P ATOM 34 OP1 G A 2 11.414 -3.183 -0.629 1.00 0.00 O ATOM 35 OP2 G A 2 9.362 -2.947 0.886 1.00 0.00 O ATOM 36 O5' G A 2 9.138 -3.856 -1.440 1.00 0.00 O ATOM 37 C5' G A 2 9.666 -4.278 -2.704 1.00 0.00 C ATOM 38 C4' G A 2 8.581 -4.836 -3.621 1.00 0.00 C ATOM 39 O4' G A 2 7.860 -5.869 -2.938 1.00 0.00 O ATOM 40 C3' G A 2 7.491 -3.855 -4.022 1.00 0.00 C ATOM 41 O3' G A 2 7.922 -3.163 -5.202 1.00 0.00 O ATOM 42 C2' G A 2 6.372 -4.796 -4.426 1.00 0.00 C ATOM 43 O2' G A 2 6.648 -5.396 -5.696 1.00 0.00 O ATOM 44 C1' G A 2 6.468 -5.834 -3.309 1.00 0.00 C ATOM 45 N9 G A 2 5.696 -5.432 -2.125 1.00 0.00 N ATOM 46 C8 G A 2 6.133 -4.737 -1.033 1.00 0.00 C ATOM 47 N7 G A 2 5.205 -4.510 -0.147 1.00 0.00 N ATOM 48 C5 G A 2 4.070 -5.099 -0.697 1.00 0.00 C ATOM 49 C6 G A 2 2.743 -5.178 -0.193 1.00 0.00 C ATOM 50 O6 G A 2 2.297 -4.739 0.863 1.00 0.00 O ATOM 51 N1 G A 2 1.910 -5.855 -1.061 1.00 0.00 N ATOM 52 C2 G A 2 2.292 -6.392 -2.264 1.00 0.00 C ATOM 53 N2 G A 2 1.357 -7.006 -2.974 1.00 0.00 N ATOM 54 N3 G A 2 3.528 -6.330 -2.749 1.00 0.00 N ATOM 55 C4 G A 2 4.362 -5.669 -1.913 1.00 0.00 C ATOM 0 H5' G A 2 10.430 -5.039 -2.542 1.00 0.00 H new ATOM 0 H5'' G A 2 10.155 -3.435 -3.192 1.00 0.00 H new ATOM 0 H4' G A 2 9.135 -5.151 -4.505 1.00 0.00 H new ATOM 0 H3' G A 2 7.231 -3.126 -3.254 1.00 0.00 H new ATOM 0 H2' G A 2 5.395 -4.326 -4.534 1.00 0.00 H new ATOM 0 HO2' G A 2 7.395 -4.928 -6.124 1.00 0.00 H new ATOM 0 H1' G A 2 6.078 -6.792 -3.652 1.00 0.00 H new ATOM 0 H8 G A 2 7.154 -4.406 -0.915 1.00 0.00 H new ATOM 0 H1 G A 2 0.934 -5.965 -0.786 1.00 0.00 H new ATOM 0 H21 G A 2 1.592 -7.422 -3.875 1.00 0.00 H new ATOM 0 H22 G A 2 0.402 -7.063 -2.619 1.00 0.00 H new ATOM 67 P G A 3 7.251 -1.754 -5.615 1.00 0.00 P ATOM 68 OP1 G A 3 7.836 -1.324 -6.906 1.00 0.00 O ATOM 69 OP2 G A 3 7.310 -0.852 -4.443 1.00 0.00 O ATOM 70 O5' G A 3 5.707 -2.152 -5.868 1.00 0.00 O ATOM 71 C5' G A 3 5.317 -2.847 -7.059 1.00 0.00 C ATOM 72 C4' G A 3 3.853 -3.284 -7.018 1.00 0.00 C ATOM 73 O4' G A 3 3.611 -4.080 -5.852 1.00 0.00 O ATOM 74 C3' G A 3 2.840 -2.168 -6.878 1.00 0.00 C ATOM 75 O3' G A 3 2.566 -1.651 -8.187 1.00 0.00 O ATOM 76 C2' G A 3 1.612 -2.939 -6.422 1.00 0.00 C ATOM 77 O2' G A 3 1.014 -3.634 -7.522 1.00 0.00 O ATOM 78 C1' G A 3 2.238 -3.929 -5.433 1.00 0.00 C ATOM 79 N9 G A 3 2.202 -3.424 -4.046 1.00 0.00 N ATOM 80 C8 G A 3 3.228 -2.929 -3.283 1.00 0.00 C ATOM 81 N7 G A 3 2.856 -2.546 -2.092 1.00 0.00 N ATOM 82 C5 G A 3 1.489 -2.805 -2.068 1.00 0.00 C ATOM 83 C6 G A 3 0.535 -2.595 -1.034 1.00 0.00 C ATOM 84 O6 G A 3 0.713 -2.128 0.087 1.00 0.00 O ATOM 85 N1 G A 3 -0.730 -2.990 -1.421 1.00 0.00 N ATOM 86 C2 G A 3 -1.048 -3.523 -2.644 1.00 0.00 C ATOM 87 N2 G A 3 -2.317 -3.848 -2.846 1.00 0.00 N ATOM 88 N3 G A 3 -0.169 -3.727 -3.620 1.00 0.00 N ATOM 89 C4 G A 3 1.080 -3.344 -3.261 1.00 0.00 C ATOM 0 H5' G A 3 5.952 -3.723 -7.191 1.00 0.00 H new ATOM 0 H5'' G A 3 5.478 -2.203 -7.923 1.00 0.00 H new ATOM 0 H4' G A 3 3.723 -3.792 -7.974 1.00 0.00 H new ATOM 0 H3' G A 3 3.145 -1.350 -6.225 1.00 0.00 H new ATOM 0 H2' G A 3 0.819 -2.320 -6.002 1.00 0.00 H new ATOM 0 HO2' G A 3 1.317 -3.235 -8.364 1.00 0.00 H new ATOM 0 H1' G A 3 1.686 -4.869 -5.437 1.00 0.00 H new ATOM 0 H8 G A 3 4.247 -2.862 -3.634 1.00 0.00 H new ATOM 0 H1 G A 3 -1.486 -2.877 -0.746 1.00 0.00 H new ATOM 0 H21 G A 3 -2.605 -4.248 -3.739 1.00 0.00 H new ATOM 0 H22 G A 3 -3.005 -3.698 -2.108 1.00 0.00 H new ATOM 101 P U A 4 2.083 -0.125 -8.377 1.00 0.00 P ATOM 102 OP1 U A 4 1.584 0.032 -9.762 1.00 0.00 O ATOM 103 OP2 U A 4 3.153 0.766 -7.872 1.00 0.00 O ATOM 104 O5' U A 4 0.829 -0.023 -7.370 1.00 0.00 O ATOM 105 C5' U A 4 -0.463 -0.512 -7.751 1.00 0.00 C ATOM 106 C4' U A 4 -1.485 -0.353 -6.627 1.00 0.00 C ATOM 107 O4' U A 4 -1.066 -1.113 -5.484 1.00 0.00 O ATOM 108 C3' U A 4 -1.620 1.053 -6.083 1.00 0.00 C ATOM 109 O3' U A 4 -2.592 1.738 -6.883 1.00 0.00 O ATOM 110 C2' U A 4 -2.239 0.796 -4.718 1.00 0.00 C ATOM 111 O2' U A 4 -3.632 0.485 -4.839 1.00 0.00 O ATOM 112 C1' U A 4 -1.449 -0.436 -4.270 1.00 0.00 C ATOM 113 N1 U A 4 -0.227 -0.079 -3.517 1.00 0.00 N ATOM 114 C2 U A 4 -0.366 0.206 -2.170 1.00 0.00 C ATOM 115 O2 U A 4 -1.452 0.187 -1.594 1.00 0.00 O ATOM 116 N3 U A 4 0.791 0.532 -1.500 1.00 0.00 N ATOM 117 C4 U A 4 2.056 0.602 -2.044 1.00 0.00 C ATOM 118 O4 U A 4 3.008 0.919 -1.340 1.00 0.00 O ATOM 119 C5 U A 4 2.124 0.293 -3.454 1.00 0.00 C ATOM 120 C6 U A 4 0.997 -0.033 -4.134 1.00 0.00 C ATOM 0 H5' U A 4 -0.387 -1.564 -8.026 1.00 0.00 H new ATOM 0 H5'' U A 4 -0.808 0.025 -8.635 1.00 0.00 H new ATOM 0 H4' U A 4 -2.424 -0.671 -7.079 1.00 0.00 H new ATOM 0 H3' U A 4 -0.695 1.629 -6.064 1.00 0.00 H new ATOM 0 H2' U A 4 -2.190 1.643 -4.034 1.00 0.00 H new ATOM 0 HO2' U A 4 -3.992 0.906 -5.647 1.00 0.00 H new ATOM 0 H1' U A 4 -2.060 -1.048 -3.606 1.00 0.00 H new ATOM 0 H3 U A 4 0.704 0.742 -0.506 1.00 0.00 H new ATOM 0 H5 U A 4 3.074 0.322 -3.967 1.00 0.00 H new ATOM 0 H6 U A 4 1.065 -0.262 -5.187 1.00 0.00 H new ATOM 131 P C A 5 -2.541 3.342 -7.036 1.00 0.00 P ATOM 132 OP1 C A 5 -3.411 3.728 -8.170 1.00 0.00 O ATOM 133 OP2 C A 5 -1.123 3.767 -7.014 1.00 0.00 O ATOM 134 O5' C A 5 -3.234 3.844 -5.669 1.00 0.00 O ATOM 135 C5' C A 5 -4.660 3.945 -5.565 1.00 0.00 C ATOM 136 C4' C A 5 -5.096 4.392 -4.173 1.00 0.00 C ATOM 137 O4' C A 5 -4.651 3.441 -3.199 1.00 0.00 O ATOM 138 C3' C A 5 -4.484 5.693 -3.694 1.00 0.00 C ATOM 139 O3' C A 5 -5.315 6.764 -4.159 1.00 0.00 O ATOM 140 C2' C A 5 -4.669 5.582 -2.190 1.00 0.00 C ATOM 141 O2' C A 5 -6.029 5.840 -1.826 1.00 0.00 O ATOM 142 C1' C A 5 -4.322 4.109 -1.964 1.00 0.00 C ATOM 143 N1 C A 5 -2.885 3.904 -1.678 1.00 0.00 N ATOM 144 C2 C A 5 -2.490 3.896 -0.350 1.00 0.00 C ATOM 145 O2 C A 5 -3.311 4.067 0.546 1.00 0.00 O ATOM 146 N3 C A 5 -1.176 3.705 -0.062 1.00 0.00 N ATOM 147 C4 C A 5 -0.282 3.528 -1.037 1.00 0.00 C ATOM 148 N4 C A 5 0.987 3.351 -0.685 1.00 0.00 N ATOM 149 C5 C A 5 -0.678 3.535 -2.411 1.00 0.00 C ATOM 150 C6 C A 5 -1.982 3.726 -2.685 1.00 0.00 C ATOM 0 H5' C A 5 -5.111 2.979 -5.794 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.029 4.653 -6.307 1.00 0.00 H new ATOM 0 H4' C A 5 -6.177 4.498 -4.264 1.00 0.00 H new ATOM 0 H3' C A 5 -3.458 5.864 -4.018 1.00 0.00 H new ATOM 0 H2' C A 5 -4.073 6.285 -1.608 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.457 6.380 -2.523 1.00 0.00 H new ATOM 0 H1' C A 5 -4.870 3.726 -1.103 1.00 0.00 H new ATOM 0 H41 C A 5 1.700 3.212 -1.401 1.00 0.00 H new ATOM 0 H42 C A 5 1.248 3.354 0.301 1.00 0.00 H new ATOM 0 H5 C A 5 0.044 3.392 -3.201 1.00 0.00 H new ATOM 0 H6 C A 5 -2.317 3.738 -3.712 1.00 0.00 H new ATOM 162 P U A 6 -4.694 8.228 -4.421 1.00 0.00 P ATOM 163 OP1 U A 6 -5.778 9.113 -4.904 1.00 0.00 O ATOM 164 OP2 U A 6 -3.457 8.073 -5.217 1.00 0.00 O ATOM 165 O5' U A 6 -4.277 8.702 -2.937 1.00 0.00 O ATOM 166 C5' U A 6 -5.270 9.130 -1.997 1.00 0.00 C ATOM 167 C4' U A 6 -4.682 9.337 -0.604 1.00 0.00 C ATOM 168 O4' U A 6 -4.118 8.107 -0.134 1.00 0.00 O ATOM 169 C3' U A 6 -3.527 10.317 -0.534 1.00 0.00 C ATOM 170 O3' U A 6 -4.092 11.614 -0.301 1.00 0.00 O ATOM 171 C2' U A 6 -2.815 9.884 0.736 1.00 0.00 C ATOM 172 O2' U A 6 -3.502 10.372 1.891 1.00 0.00 O ATOM 173 C1' U A 6 -2.929 8.360 0.638 1.00 0.00 C ATOM 174 N1 U A 6 -1.778 7.745 -0.057 1.00 0.00 N ATOM 175 C2 U A 6 -0.770 7.207 0.723 1.00 0.00 C ATOM 176 O2 U A 6 -0.796 7.230 1.952 1.00 0.00 O ATOM 177 N3 U A 6 0.281 6.636 0.040 1.00 0.00 N ATOM 178 C4 U A 6 0.412 6.553 -1.330 1.00 0.00 C ATOM 179 O4 U A 6 1.397 6.008 -1.817 1.00 0.00 O ATOM 180 C5 U A 6 -0.675 7.136 -2.078 1.00 0.00 C ATOM 181 C6 U A 6 -1.719 7.703 -1.427 1.00 0.00 C ATOM 0 H5' U A 6 -6.067 8.388 -1.948 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.721 10.060 -2.343 1.00 0.00 H new ATOM 0 H4' U A 6 -5.520 9.716 -0.018 1.00 0.00 H new ATOM 0 H3' U A 6 -2.889 10.342 -1.418 1.00 0.00 H new ATOM 0 H2' U A 6 -1.793 10.252 0.828 1.00 0.00 H new ATOM 0 HO2' U A 6 -4.041 11.153 1.646 1.00 0.00 H new ATOM 0 H1' U A 6 -2.958 7.931 1.640 1.00 0.00 H new ATOM 0 H3 U A 6 1.034 6.237 0.601 1.00 0.00 H new ATOM 0 H5 U A 6 -0.656 7.120 -3.158 1.00 0.00 H new ATOM 0 H6 U A 6 -2.526 8.133 -2.002 1.00 0.00 H new ATOM 192 P U A 7 -3.239 12.953 -0.571 1.00 0.00 P ATOM 193 OP1 U A 7 -4.183 14.046 -0.897 1.00 0.00 O ATOM 194 OP2 U A 7 -2.133 12.625 -1.503 1.00 0.00 O ATOM 195 O5' U A 7 -2.609 13.241 0.882 1.00 0.00 O ATOM 196 C5' U A 7 -2.189 14.557 1.259 1.00 0.00 C ATOM 197 C4' U A 7 -2.110 14.703 2.776 1.00 0.00 C ATOM 198 O4' U A 7 -3.418 14.504 3.340 1.00 0.00 O ATOM 199 C3' U A 7 -1.217 13.672 3.464 1.00 0.00 C ATOM 200 O3' U A 7 -0.693 14.281 4.650 1.00 0.00 O ATOM 201 C2' U A 7 -2.196 12.589 3.895 1.00 0.00 C ATOM 202 O2' U A 7 -1.688 11.858 5.015 1.00 0.00 O ATOM 203 C1' U A 7 -3.396 13.435 4.295 1.00 0.00 C ATOM 204 N1 U A 7 -4.668 12.688 4.210 1.00 0.00 N ATOM 205 C2 U A 7 -5.237 12.253 5.393 1.00 0.00 C ATOM 206 O2 U A 7 -4.735 12.471 6.491 1.00 0.00 O ATOM 207 N3 U A 7 -6.417 11.557 5.274 1.00 0.00 N ATOM 208 C4 U A 7 -7.072 11.258 4.099 1.00 0.00 C ATOM 209 O4 U A 7 -8.126 10.629 4.130 1.00 0.00 O ATOM 210 C5 U A 7 -6.421 11.743 2.905 1.00 0.00 C ATOM 211 C6 U A 7 -5.258 12.432 2.999 1.00 0.00 C ATOM 0 H5' U A 7 -2.886 15.292 0.857 1.00 0.00 H new ATOM 0 H5'' U A 7 -1.214 14.769 0.820 1.00 0.00 H new ATOM 0 H4' U A 7 -1.698 15.698 2.942 1.00 0.00 H new ATOM 0 H3' U A 7 -0.402 13.305 2.840 1.00 0.00 H new ATOM 0 H2' U A 7 -2.405 11.836 3.135 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.944 10.916 4.934 1.00 0.00 H new ATOM 0 H1' U A 7 -3.304 13.766 5.329 1.00 0.00 H new ATOM 0 H3 U A 7 -6.849 11.231 6.138 1.00 0.00 H new ATOM 0 H5 U A 7 -6.861 11.557 1.937 1.00 0.00 H new ATOM 0 H6 U A 7 -4.784 12.789 2.097 1.00 0.00 H new ATOM 222 P C A 8 0.898 14.402 4.865 1.00 0.00 P ATOM 223 OP1 C A 8 1.154 14.703 6.292 1.00 0.00 O ATOM 224 OP2 C A 8 1.436 15.297 3.815 1.00 0.00 O ATOM 225 O5' C A 8 1.413 12.903 4.556 1.00 0.00 O ATOM 226 C5' C A 8 1.150 11.835 5.476 1.00 0.00 C ATOM 227 C4' C A 8 1.775 10.518 5.018 1.00 0.00 C ATOM 228 O4' C A 8 1.152 10.085 3.796 1.00 0.00 O ATOM 229 C3' C A 8 3.272 10.590 4.704 1.00 0.00 C ATOM 230 O3' C A 8 3.832 9.301 5.005 1.00 0.00 O ATOM 231 C2' C A 8 3.302 10.760 3.190 1.00 0.00 C ATOM 232 O2' C A 8 4.535 10.277 2.647 1.00 0.00 O ATOM 233 C1' C A 8 2.139 9.863 2.785 1.00 0.00 C ATOM 234 N1 C A 8 1.560 10.212 1.472 1.00 0.00 N ATOM 235 C2 C A 8 1.712 9.302 0.437 1.00 0.00 C ATOM 236 O2 C A 8 2.328 8.254 0.619 1.00 0.00 O ATOM 237 N3 C A 8 1.166 9.593 -0.774 1.00 0.00 N ATOM 238 C4 C A 8 0.494 10.733 -0.962 1.00 0.00 C ATOM 239 N4 C A 8 -0.028 10.953 -2.165 1.00 0.00 N ATOM 240 C5 C A 8 0.334 11.678 0.098 1.00 0.00 C ATOM 241 C6 C A 8 0.879 11.381 1.290 1.00 0.00 C ATOM 0 H5' C A 8 0.073 11.707 5.584 1.00 0.00 H new ATOM 0 H5'' C A 8 1.540 12.099 6.459 1.00 0.00 H new ATOM 0 H4' C A 8 1.624 9.841 5.859 1.00 0.00 H new ATOM 0 H3' C A 8 3.805 11.371 5.247 1.00 0.00 H new ATOM 0 H2' C A 8 3.224 11.791 2.844 1.00 0.00 H new ATOM 0 HO2' C A 8 4.831 9.493 3.155 1.00 0.00 H new ATOM 0 H1' C A 8 2.475 8.830 2.697 1.00 0.00 H new ATOM 0 H41 C A 8 -0.548 11.812 -2.346 1.00 0.00 H new ATOM 0 H42 C A 8 0.091 10.263 -2.907 1.00 0.00 H new ATOM 0 H5 C A 8 -0.207 12.600 -0.054 1.00 0.00 H new ATOM 0 H6 C A 8 0.777 12.074 2.112 1.00 0.00 H new ATOM 253 P G A 9 5.078 9.156 6.027 1.00 0.00 P ATOM 254 OP1 G A 9 5.772 10.462 6.103 1.00 0.00 O ATOM 255 OP2 G A 9 5.838 7.942 5.654 1.00 0.00 O ATOM 256 O5' G A 9 4.358 8.885 7.444 1.00 0.00 O ATOM 257 C5' G A 9 3.412 9.819 7.979 1.00 0.00 C ATOM 258 C4' G A 9 2.504 9.173 9.021 1.00 0.00 C ATOM 259 O4' G A 9 1.315 9.966 9.155 1.00 0.00 O ATOM 260 C3' G A 9 1.966 7.804 8.650 1.00 0.00 C ATOM 261 O3' G A 9 2.910 6.829 9.112 1.00 0.00 O ATOM 262 C2' G A 9 0.730 7.703 9.525 1.00 0.00 C ATOM 263 O2' G A 9 1.093 7.412 10.880 1.00 0.00 O ATOM 264 C1' G A 9 0.173 9.123 9.407 1.00 0.00 C ATOM 265 N9 G A 9 -0.796 9.270 8.295 1.00 0.00 N ATOM 266 C8 G A 9 -2.013 9.900 8.308 1.00 0.00 C ATOM 267 N7 G A 9 -2.641 9.863 7.166 1.00 0.00 N ATOM 268 C5 G A 9 -1.776 9.160 6.332 1.00 0.00 C ATOM 269 C6 G A 9 -1.918 8.803 4.961 1.00 0.00 C ATOM 270 O6 G A 9 -2.855 9.038 4.204 1.00 0.00 O ATOM 271 N1 G A 9 -0.822 8.098 4.502 1.00 0.00 N ATOM 272 C2 G A 9 0.273 7.772 5.257 1.00 0.00 C ATOM 273 N2 G A 9 1.243 7.098 4.655 1.00 0.00 N ATOM 274 N3 G A 9 0.420 8.096 6.539 1.00 0.00 N ATOM 275 C4 G A 9 -0.642 8.790 7.012 1.00 0.00 C ATOM 0 H5' G A 9 2.805 10.225 7.170 1.00 0.00 H new ATOM 0 H5'' G A 9 3.944 10.657 8.430 1.00 0.00 H new ATOM 0 H4' G A 9 3.130 9.095 9.910 1.00 0.00 H new ATOM 0 H3' G A 9 1.781 7.659 7.586 1.00 0.00 H new ATOM 0 H2' G A 9 0.032 6.918 9.235 1.00 0.00 H new ATOM 0 HO2' G A 9 2.018 7.089 10.909 1.00 0.00 H new ATOM 0 H1' G A 9 -0.366 9.385 10.317 1.00 0.00 H new ATOM 0 H8 G A 9 -2.416 10.384 9.186 1.00 0.00 H new ATOM 0 H1 G A 9 -0.829 7.798 3.527 1.00 0.00 H new ATOM 0 H21 G A 9 2.079 6.832 5.176 1.00 0.00 H new ATOM 0 H22 G A 9 1.153 6.845 3.671 1.00 0.00 H new ATOM 287 P G A 10 3.653 5.841 8.074 1.00 0.00 P ATOM 288 OP1 G A 10 5.072 5.729 8.482 1.00 0.00 O ATOM 289 OP2 G A 10 3.316 6.265 6.694 1.00 0.00 O ATOM 290 O5' G A 10 2.939 4.418 8.352 1.00 0.00 O ATOM 291 C5' G A 10 2.315 4.142 9.614 1.00 0.00 C ATOM 292 C4' G A 10 0.795 4.045 9.495 1.00 0.00 C ATOM 293 O4' G A 10 0.353 5.076 8.597 1.00 0.00 O ATOM 294 C3' G A 10 0.283 2.765 8.851 1.00 0.00 C ATOM 295 O3' G A 10 -0.028 1.839 9.901 1.00 0.00 O ATOM 296 C2' G A 10 -1.029 3.207 8.232 1.00 0.00 C ATOM 297 O2' G A 10 -2.047 3.351 9.230 1.00 0.00 O ATOM 298 C1' G A 10 -0.626 4.564 7.677 1.00 0.00 C ATOM 299 N9 G A 10 0.034 4.419 6.372 1.00 0.00 N ATOM 300 C8 G A 10 1.346 4.113 6.126 1.00 0.00 C ATOM 301 N7 G A 10 1.633 4.014 4.859 1.00 0.00 N ATOM 302 C5 G A 10 0.422 4.273 4.223 1.00 0.00 C ATOM 303 C6 G A 10 0.106 4.307 2.837 1.00 0.00 C ATOM 304 O6 G A 10 0.849 4.123 1.878 1.00 0.00 O ATOM 305 N1 G A 10 -1.227 4.603 2.628 1.00 0.00 N ATOM 306 C2 G A 10 -2.147 4.842 3.615 1.00 0.00 C ATOM 307 N2 G A 10 -3.386 5.109 3.230 1.00 0.00 N ATOM 308 N3 G A 10 -1.869 4.815 4.917 1.00 0.00 N ATOM 309 C4 G A 10 -0.566 4.524 5.146 1.00 0.00 C ATOM 0 H5' G A 10 2.573 4.927 10.325 1.00 0.00 H new ATOM 0 H5'' G A 10 2.707 3.207 10.015 1.00 0.00 H new ATOM 0 H4' G A 10 0.425 4.109 10.518 1.00 0.00 H new ATOM 0 H3' G A 10 0.982 2.308 8.150 1.00 0.00 H new ATOM 0 H2' G A 10 -1.444 2.513 7.501 1.00 0.00 H new ATOM 0 HO2' G A 10 -1.688 3.090 10.104 1.00 0.00 H new ATOM 0 H1' G A 10 -1.499 5.205 7.559 1.00 0.00 H new ATOM 0 H8 G A 10 2.075 3.967 6.909 1.00 0.00 H new ATOM 0 H1 G A 10 -1.552 4.647 1.662 1.00 0.00 H new ATOM 0 H21 G A 10 -4.108 5.294 3.927 1.00 0.00 H new ATOM 0 H22 G A 10 -3.618 5.130 2.237 1.00 0.00 H new ATOM 321 P G A 11 -0.164 0.262 9.587 1.00 0.00 P ATOM 322 OP1 G A 11 -0.512 -0.434 10.847 1.00 0.00 O ATOM 323 OP2 G A 11 1.030 -0.163 8.819 1.00 0.00 O ATOM 324 O5' G A 11 -1.443 0.202 8.604 1.00 0.00 O ATOM 325 C5' G A 11 -2.747 0.567 9.077 1.00 0.00 C ATOM 326 C4' G A 11 -3.729 0.807 7.931 1.00 0.00 C ATOM 327 O4' G A 11 -3.186 1.764 7.016 1.00 0.00 O ATOM 328 C3' G A 11 -4.002 -0.391 7.045 1.00 0.00 C ATOM 329 O3' G A 11 -5.049 -1.154 7.657 1.00 0.00 O ATOM 330 C2' G A 11 -4.582 0.276 5.807 1.00 0.00 C ATOM 331 O2' G A 11 -5.943 0.660 6.034 1.00 0.00 O ATOM 332 C1' G A 11 -3.685 1.513 5.685 1.00 0.00 C ATOM 333 N9 G A 11 -2.545 1.297 4.770 1.00 0.00 N ATOM 334 C8 G A 11 -1.212 1.171 5.070 1.00 0.00 C ATOM 335 N7 G A 11 -0.454 0.994 4.024 1.00 0.00 N ATOM 336 C5 G A 11 -1.346 1.001 2.957 1.00 0.00 C ATOM 337 C6 G A 11 -1.106 0.851 1.562 1.00 0.00 C ATOM 338 O6 G A 11 -0.038 0.685 0.982 1.00 0.00 O ATOM 339 N1 G A 11 -2.279 0.918 0.834 1.00 0.00 N ATOM 340 C2 G A 11 -3.529 1.106 1.369 1.00 0.00 C ATOM 341 N2 G A 11 -4.546 1.142 0.522 1.00 0.00 N ATOM 342 N3 G A 11 -3.769 1.250 2.670 1.00 0.00 N ATOM 343 C4 G A 11 -2.631 1.186 3.403 1.00 0.00 C ATOM 0 H5' G A 11 -2.672 1.469 9.684 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.131 -0.222 9.724 1.00 0.00 H new ATOM 0 H4' G A 11 -4.641 1.110 8.445 1.00 0.00 H new ATOM 0 H3' G A 11 -3.141 -1.035 6.862 1.00 0.00 H new ATOM 0 H2' G A 11 -4.598 -0.357 4.920 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.291 0.185 6.817 1.00 0.00 H new ATOM 0 H1' G A 11 -4.255 2.347 5.276 1.00 0.00 H new ATOM 0 H8 G A 11 -0.827 1.214 6.078 1.00 0.00 H new ATOM 0 H1 G A 11 -2.210 0.820 -0.179 1.00 0.00 H new ATOM 0 H21 G A 11 -5.495 1.279 0.870 1.00 0.00 H new ATOM 0 H22 G A 11 -4.381 1.032 -0.478 1.00 0.00 H new ATOM 355 P U A 12 -5.117 -2.755 7.471 1.00 0.00 P ATOM 356 OP1 U A 12 -6.394 -3.234 8.049 1.00 0.00 O ATOM 357 OP2 U A 12 -3.835 -3.331 7.934 1.00 0.00 O ATOM 358 O5' U A 12 -5.192 -2.920 5.870 1.00 0.00 O ATOM 359 C5' U A 12 -6.416 -2.690 5.161 1.00 0.00 C ATOM 360 C4' U A 12 -6.210 -2.765 3.651 1.00 0.00 C ATOM 361 O4' U A 12 -5.288 -1.746 3.245 1.00 0.00 O ATOM 362 C3' U A 12 -5.566 -4.047 3.163 1.00 0.00 C ATOM 363 O3' U A 12 -6.621 -4.980 2.891 1.00 0.00 O ATOM 364 C2' U A 12 -4.969 -3.618 1.833 1.00 0.00 C ATOM 365 O2' U A 12 -5.980 -3.529 0.825 1.00 0.00 O ATOM 366 C1' U A 12 -4.437 -2.228 2.189 1.00 0.00 C ATOM 367 N1 U A 12 -3.043 -2.262 2.683 1.00 0.00 N ATOM 368 C2 U A 12 -2.029 -2.256 1.743 1.00 0.00 C ATOM 369 O2 U A 12 -2.246 -2.242 0.534 1.00 0.00 O ATOM 370 N3 U A 12 -0.746 -2.279 2.239 1.00 0.00 N ATOM 371 C4 U A 12 -0.388 -2.309 3.570 1.00 0.00 C ATOM 372 O4 U A 12 0.797 -2.337 3.883 1.00 0.00 O ATOM 373 C5 U A 12 -1.498 -2.317 4.493 1.00 0.00 C ATOM 374 C6 U A 12 -2.769 -2.293 4.026 1.00 0.00 C ATOM 0 H5' U A 12 -6.813 -1.710 5.427 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.158 -3.428 5.465 1.00 0.00 H new ATOM 0 H4' U A 12 -7.214 -2.673 3.238 1.00 0.00 H new ATOM 0 H3' U A 12 -4.851 -4.492 3.855 1.00 0.00 H new ATOM 0 H2' U A 12 -4.221 -4.302 1.432 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.786 -3.997 1.128 1.00 0.00 H new ATOM 0 H1' U A 12 -4.441 -1.594 1.302 1.00 0.00 H new ATOM 0 H3 U A 12 0.013 -2.273 1.557 1.00 0.00 H new ATOM 0 H5 U A 12 -1.315 -2.342 5.557 1.00 0.00 H new ATOM 0 H6 U A 12 -3.588 -2.298 4.730 1.00 0.00 H new ATOM 385 P C A 13 -6.495 -6.521 3.349 1.00 0.00 P ATOM 386 OP1 C A 13 -7.860 -7.055 3.560 1.00 0.00 O ATOM 387 OP2 C A 13 -5.491 -6.603 4.435 1.00 0.00 O ATOM 388 O5' C A 13 -5.871 -7.222 2.040 1.00 0.00 O ATOM 389 C5' C A 13 -6.675 -7.457 0.878 1.00 0.00 C ATOM 390 C4' C A 13 -5.815 -7.724 -0.353 1.00 0.00 C ATOM 391 O4' C A 13 -4.979 -6.586 -0.601 1.00 0.00 O ATOM 392 C3' C A 13 -4.834 -8.871 -0.209 1.00 0.00 C ATOM 393 O3' C A 13 -5.503 -10.061 -0.649 1.00 0.00 O ATOM 394 C2' C A 13 -3.778 -8.524 -1.243 1.00 0.00 C ATOM 395 O2' C A 13 -4.227 -8.857 -2.560 1.00 0.00 O ATOM 396 C1' C A 13 -3.684 -7.007 -1.071 1.00 0.00 C ATOM 397 N1 C A 13 -2.667 -6.607 -0.073 1.00 0.00 N ATOM 398 C2 C A 13 -1.388 -6.335 -0.531 1.00 0.00 C ATOM 399 O2 C A 13 -1.115 -6.448 -1.722 1.00 0.00 O ATOM 400 N3 C A 13 -0.441 -5.945 0.363 1.00 0.00 N ATOM 401 C4 C A 13 -0.736 -5.828 1.662 1.00 0.00 C ATOM 402 N4 C A 13 0.234 -5.437 2.483 1.00 0.00 N ATOM 403 C5 C A 13 -2.052 -6.108 2.147 1.00 0.00 C ATOM 404 C6 C A 13 -2.980 -6.493 1.251 1.00 0.00 C ATOM 0 H5' C A 13 -7.314 -6.593 0.696 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.332 -8.308 1.055 1.00 0.00 H new ATOM 0 H4' C A 13 -6.534 -7.953 -1.140 1.00 0.00 H new ATOM 0 H3' C A 13 -4.445 -9.016 0.799 1.00 0.00 H new ATOM 0 H2' C A 13 -2.833 -9.053 -1.116 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.961 -9.504 -2.502 1.00 0.00 H new ATOM 0 H1' C A 13 -3.393 -6.550 -2.017 1.00 0.00 H new ATOM 0 H41 C A 13 0.048 -5.336 3.481 1.00 0.00 H new ATOM 0 H42 C A 13 1.164 -5.238 2.115 1.00 0.00 H new ATOM 0 H5 C A 13 -2.293 -6.014 3.196 1.00 0.00 H new ATOM 0 H6 C A 13 -3.984 -6.714 1.583 1.00 0.00 H new ATOM 416 P C A 14 -5.700 -11.316 0.344 1.00 0.00 P ATOM 417 OP1 C A 14 -6.998 -11.955 0.037 1.00 0.00 O ATOM 418 OP2 C A 14 -5.404 -10.866 1.724 1.00 0.00 O ATOM 419 O5' C A 14 -4.521 -12.315 -0.115 1.00 0.00 O ATOM 420 C5' C A 14 -4.524 -12.907 -1.423 1.00 0.00 C ATOM 421 C4' C A 14 -3.135 -12.878 -2.052 1.00 0.00 C ATOM 422 O4' C A 14 -2.665 -11.525 -2.097 1.00 0.00 O ATOM 423 C3' C A 14 -2.062 -13.615 -1.270 1.00 0.00 C ATOM 424 O3' C A 14 -2.077 -15.014 -1.571 1.00 0.00 O ATOM 425 C2' C A 14 -0.806 -12.953 -1.816 1.00 0.00 C ATOM 426 O2' C A 14 -0.503 -13.448 -3.127 1.00 0.00 O ATOM 427 C1' C A 14 -1.245 -11.488 -1.882 1.00 0.00 C ATOM 428 N1 C A 14 -0.975 -10.755 -0.625 1.00 0.00 N ATOM 429 C2 C A 14 0.173 -9.977 -0.564 1.00 0.00 C ATOM 430 O2 C A 14 0.937 -9.915 -1.524 1.00 0.00 O ATOM 431 N3 C A 14 0.435 -9.290 0.582 1.00 0.00 N ATOM 432 C4 C A 14 -0.396 -9.363 1.627 1.00 0.00 C ATOM 433 N4 C A 14 -0.079 -8.673 2.717 1.00 0.00 N ATOM 434 C5 C A 14 -1.580 -10.160 1.573 1.00 0.00 C ATOM 435 C6 C A 14 -1.831 -10.835 0.437 1.00 0.00 C ATOM 0 H5' C A 14 -5.226 -12.373 -2.064 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.873 -13.937 -1.357 1.00 0.00 H new ATOM 0 H4' C A 14 -3.269 -13.355 -3.023 1.00 0.00 H new ATOM 0 H3' C A 14 -2.171 -13.558 -0.187 1.00 0.00 H new ATOM 0 H2' C A 14 0.090 -13.129 -1.221 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.853 -14.358 -3.222 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.376 -15.467 -1.057 1.00 0.00 H new ATOM 0 H1' C A 14 -0.695 -10.972 -2.669 1.00 0.00 H new ATOM 0 H41 C A 14 -0.688 -8.703 3.535 1.00 0.00 H new ATOM 0 H42 C A 14 0.773 -8.113 2.736 1.00 0.00 H new ATOM 0 H5 C A 14 -2.252 -10.219 2.417 1.00 0.00 H new ATOM 0 H6 C A 14 -2.718 -11.446 0.364 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 4.677 -1.316 2.222 1.00 0.00 CO HETATM 450 N1 NCO A 15 4.090 -3.098 2.877 1.00 0.00 N HETATM 451 N2 NCO A 15 5.263 0.465 1.566 1.00 0.00 N HETATM 452 N3 NCO A 15 3.759 -1.650 0.493 1.00 0.00 N HETATM 453 N4 NCO A 15 5.595 -0.982 3.951 1.00 0.00 N HETATM 454 N5 NCO A 15 6.338 -2.130 1.497 1.00 0.00 N HETATM 455 N6 NCO A 15 3.015 -0.502 2.946 1.00 0.00 N