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 -22:sc= 0.382 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00367 USER MOD Single : A 2 G O2' : rot -19:sc= -0.0823 USER MOD Single : A 3 G O2' : rot -18:sc= 0.309 USER MOD Single : A 4 U O2' : rot -25:sc= 0.298 USER MOD Single : A 5 C O2' : rot -27:sc= 0.265 USER MOD Single : A 6 U O2' : rot -13:sc= -1 USER MOD Single : A 7 U O2' : rot -139:sc= -2.21! USER MOD Single : A 8 C O2' : rot 28:sc= 0.241 USER MOD Single : A 9 G O2' : rot -23:sc= 0.291 USER MOD Single : A 10 G O2' : rot -0:sc= -1.91! USER MOD Single : A 11 G O2' : rot -23:sc= 0.312 USER MOD Single : A 12 U O2' : rot -16:sc= 0.293 USER MOD Single : A 13 C O2' : rot -20:sc= 0.321 USER MOD Single : A 14 C O2' : rot -21:sc= 0.126 USER MOD Single : A 14 C O3' : rot 180:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.891 -4.235 4.358 1.00 0.00 O ATOM 2 C5' G A 1 10.092 -4.718 3.744 1.00 0.00 C ATOM 3 C4' G A 1 9.795 -5.544 2.495 1.00 0.00 C ATOM 4 O4' G A 1 8.958 -6.644 2.843 1.00 0.00 O ATOM 5 C3' G A 1 9.014 -4.817 1.420 1.00 0.00 C ATOM 6 O3' G A 1 9.968 -4.185 0.550 1.00 0.00 O ATOM 7 C2' G A 1 8.358 -5.954 0.646 1.00 0.00 C ATOM 8 O2' G A 1 9.268 -6.503 -0.315 1.00 0.00 O ATOM 9 C1' G A 1 8.075 -6.972 1.756 1.00 0.00 C ATOM 10 N9 G A 1 6.709 -6.842 2.275 1.00 0.00 N ATOM 11 C8 G A 1 6.312 -6.167 3.392 1.00 0.00 C ATOM 12 N7 G A 1 5.025 -6.212 3.607 1.00 0.00 N ATOM 13 C5 G A 1 4.541 -6.976 2.549 1.00 0.00 C ATOM 14 C6 G A 1 3.209 -7.370 2.240 1.00 0.00 C ATOM 15 O6 G A 1 2.175 -7.121 2.853 1.00 0.00 O ATOM 16 N1 G A 1 3.160 -8.131 1.089 1.00 0.00 N ATOM 17 C2 G A 1 4.245 -8.476 0.322 1.00 0.00 C ATOM 18 N2 G A 1 4.011 -9.211 -0.755 1.00 0.00 N ATOM 19 N3 G A 1 5.496 -8.116 0.596 1.00 0.00 N ATOM 20 C4 G A 1 5.568 -7.367 1.724 1.00 0.00 C ATOM 0 H5' G A 1 10.647 -5.326 4.459 1.00 0.00 H new ATOM 0 H5'' G A 1 10.730 -3.875 3.479 1.00 0.00 H new ATOM 0 H4' G A 1 10.779 -5.814 2.113 1.00 0.00 H new ATOM 0 H3' G A 1 8.309 -4.077 1.800 1.00 0.00 H new ATOM 0 H2' G A 1 7.475 -5.652 0.083 1.00 0.00 H new ATOM 0 HO2' G A 1 9.960 -5.842 -0.525 1.00 0.00 H new ATOM 0 HO5' G A 1 9.119 -3.712 5.155 1.00 0.00 H new ATOM 0 H1' G A 1 8.211 -7.979 1.361 1.00 0.00 H new ATOM 0 H8 G A 1 7.000 -5.643 4.039 1.00 0.00 H new ATOM 0 H1 G A 1 2.245 -8.463 0.784 1.00 0.00 H new ATOM 0 H21 G A 1 4.784 -9.493 -1.358 1.00 0.00 H new ATOM 0 H22 G A 1 3.058 -9.495 -0.982 1.00 0.00 H new ATOM 33 P G A 2 9.698 -2.707 -0.035 1.00 0.00 P ATOM 34 OP1 G A 2 10.993 -2.143 -0.479 1.00 0.00 O ATOM 35 OP2 G A 2 8.868 -1.963 0.939 1.00 0.00 O ATOM 36 O5' G A 2 8.799 -3.000 -1.343 1.00 0.00 O ATOM 37 C5' G A 2 9.414 -3.367 -2.587 1.00 0.00 C ATOM 38 C4' G A 2 8.433 -4.073 -3.520 1.00 0.00 C ATOM 39 O4' G A 2 7.839 -5.181 -2.831 1.00 0.00 O ATOM 40 C3' G A 2 7.236 -3.247 -3.960 1.00 0.00 C ATOM 41 O3' G A 2 7.592 -2.542 -5.156 1.00 0.00 O ATOM 42 C2' G A 2 6.244 -4.328 -4.347 1.00 0.00 C ATOM 43 O2' G A 2 6.601 -4.914 -5.605 1.00 0.00 O ATOM 44 C1' G A 2 6.456 -5.322 -3.209 1.00 0.00 C ATOM 45 N9 G A 2 5.633 -4.989 -2.037 1.00 0.00 N ATOM 46 C8 G A 2 5.979 -4.221 -0.960 1.00 0.00 C ATOM 47 N7 G A 2 5.026 -4.087 -0.082 1.00 0.00 N ATOM 48 C5 G A 2 3.973 -4.822 -0.619 1.00 0.00 C ATOM 49 C6 G A 2 2.663 -5.049 -0.114 1.00 0.00 C ATOM 50 O6 G A 2 2.166 -4.646 0.932 1.00 0.00 O ATOM 51 N1 G A 2 1.921 -5.841 -0.967 1.00 0.00 N ATOM 52 C2 G A 2 2.370 -6.356 -2.156 1.00 0.00 C ATOM 53 N2 G A 2 1.515 -7.092 -2.853 1.00 0.00 N ATOM 54 N3 G A 2 3.591 -6.157 -2.642 1.00 0.00 N ATOM 55 C4 G A 2 4.336 -5.380 -1.821 1.00 0.00 C ATOM 0 H5' G A 2 10.265 -4.020 -2.393 1.00 0.00 H new ATOM 0 H5'' G A 2 9.803 -2.474 -3.077 1.00 0.00 H new ATOM 0 H4' G A 2 9.040 -4.326 -4.390 1.00 0.00 H new ATOM 0 H3' G A 2 6.880 -2.535 -3.215 1.00 0.00 H new ATOM 0 H2' G A 2 5.217 -3.985 -4.468 1.00 0.00 H new ATOM 0 HO2' G A 2 7.205 -4.311 -6.087 1.00 0.00 H new ATOM 0 H1' G A 2 6.187 -6.328 -3.532 1.00 0.00 H new ATOM 0 H8 G A 2 6.953 -3.767 -0.848 1.00 0.00 H new ATOM 0 H1 G A 2 0.964 -6.060 -0.691 1.00 0.00 H new ATOM 0 H21 G A 2 1.800 -7.498 -3.744 1.00 0.00 H new ATOM 0 H22 G A 2 0.572 -7.252 -2.498 1.00 0.00 H new ATOM 67 P G A 3 6.756 -1.241 -5.619 1.00 0.00 P ATOM 68 OP1 G A 3 7.272 -0.805 -6.938 1.00 0.00 O ATOM 69 OP2 G A 3 6.719 -0.286 -4.490 1.00 0.00 O ATOM 70 O5' G A 3 5.267 -1.829 -5.830 1.00 0.00 O ATOM 71 C5' G A 3 4.921 -2.543 -7.025 1.00 0.00 C ATOM 72 C4' G A 3 3.470 -3.023 -7.010 1.00 0.00 C ATOM 73 O4' G A 3 3.245 -3.862 -5.872 1.00 0.00 O ATOM 74 C3' G A 3 2.426 -1.941 -6.840 1.00 0.00 C ATOM 75 O3' G A 3 2.147 -1.393 -8.135 1.00 0.00 O ATOM 76 C2' G A 3 1.216 -2.758 -6.414 1.00 0.00 C ATOM 77 O2' G A 3 0.631 -3.421 -7.541 1.00 0.00 O ATOM 78 C1' G A 3 1.863 -3.774 -5.465 1.00 0.00 C ATOM 79 N9 G A 3 1.800 -3.341 -4.055 1.00 0.00 N ATOM 80 C8 G A 3 2.811 -2.884 -3.251 1.00 0.00 C ATOM 81 N7 G A 3 2.422 -2.576 -2.046 1.00 0.00 N ATOM 82 C5 G A 3 1.059 -2.848 -2.053 1.00 0.00 C ATOM 83 C6 G A 3 0.094 -2.708 -1.019 1.00 0.00 C ATOM 84 O6 G A 3 0.257 -2.307 0.128 1.00 0.00 O ATOM 85 N1 G A 3 -1.164 -3.088 -1.442 1.00 0.00 N ATOM 86 C2 G A 3 -1.467 -3.549 -2.697 1.00 0.00 C ATOM 87 N2 G A 3 -2.731 -3.866 -2.934 1.00 0.00 N ATOM 88 N3 G A 3 -0.575 -3.687 -3.676 1.00 0.00 N ATOM 89 C4 G A 3 0.666 -3.317 -3.281 1.00 0.00 C ATOM 0 H5' G A 3 5.584 -3.400 -7.139 1.00 0.00 H new ATOM 0 H5'' G A 3 5.080 -1.899 -7.890 1.00 0.00 H new ATOM 0 H4' G A 3 3.359 -3.503 -7.982 1.00 0.00 H new ATOM 0 H3' G A 3 2.704 -1.136 -6.159 1.00 0.00 H new ATOM 0 H2' G A 3 0.411 -2.173 -5.968 1.00 0.00 H new ATOM 0 HO2' G A 3 0.941 -2.996 -8.368 1.00 0.00 H new ATOM 0 H1' G A 3 1.338 -4.727 -5.523 1.00 0.00 H new ATOM 0 H8 G A 3 3.834 -2.788 -3.584 1.00 0.00 H new ATOM 0 H1 G A 3 -1.927 -3.021 -0.769 1.00 0.00 H new ATOM 0 H21 G A 3 -3.006 -4.214 -3.853 1.00 0.00 H new ATOM 0 H22 G A 3 -3.429 -3.763 -2.198 1.00 0.00 H new ATOM 101 P U A 4 1.670 0.139 -8.289 1.00 0.00 P ATOM 102 OP1 U A 4 1.229 0.348 -9.686 1.00 0.00 O ATOM 103 OP2 U A 4 2.714 1.010 -7.706 1.00 0.00 O ATOM 104 O5' U A 4 0.374 0.203 -7.331 1.00 0.00 O ATOM 105 C5' U A 4 -0.909 -0.238 -7.795 1.00 0.00 C ATOM 106 C4' U A 4 -1.967 -0.135 -6.700 1.00 0.00 C ATOM 107 O4' U A 4 -1.606 -0.987 -5.604 1.00 0.00 O ATOM 108 C3' U A 4 -2.092 1.233 -6.060 1.00 0.00 C ATOM 109 O3' U A 4 -3.037 1.988 -6.828 1.00 0.00 O ATOM 110 C2' U A 4 -2.735 0.898 -4.726 1.00 0.00 C ATOM 111 O2' U A 4 -4.130 0.623 -4.887 1.00 0.00 O ATOM 112 C1' U A 4 -1.973 -0.374 -4.352 1.00 0.00 C ATOM 113 N1 U A 4 -0.741 -0.087 -3.585 1.00 0.00 N ATOM 114 C2 U A 4 -0.858 0.065 -2.216 1.00 0.00 C ATOM 115 O2 U A 4 -1.935 -0.010 -1.629 1.00 0.00 O ATOM 116 N3 U A 4 0.310 0.328 -1.536 1.00 0.00 N ATOM 117 C4 U A 4 1.565 0.452 -2.093 1.00 0.00 C ATOM 118 O4 U A 4 2.529 0.701 -1.377 1.00 0.00 O ATOM 119 C5 U A 4 1.611 0.281 -3.526 1.00 0.00 C ATOM 120 C6 U A 4 0.474 0.019 -4.214 1.00 0.00 C ATOM 0 H5' U A 4 -0.838 -1.270 -8.137 1.00 0.00 H new ATOM 0 H5'' U A 4 -1.212 0.362 -8.653 1.00 0.00 H new ATOM 0 H4' U A 4 -2.897 -0.395 -7.206 1.00 0.00 H new ATOM 0 H3' U A 4 -1.158 1.790 -5.986 1.00 0.00 H new ATOM 0 H2' U A 4 -2.682 1.696 -3.985 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.463 1.078 -5.689 1.00 0.00 H new ATOM 0 H1' U A 4 -2.596 -1.009 -3.723 1.00 0.00 H new ATOM 0 H3 U A 4 0.240 0.442 -0.525 1.00 0.00 H new ATOM 0 H5 U A 4 2.552 0.362 -4.049 1.00 0.00 H new ATOM 0 H6 U A 4 0.525 -0.110 -5.285 1.00 0.00 H new ATOM 131 P C A 5 -2.844 3.575 -7.030 1.00 0.00 P ATOM 132 OP1 C A 5 -3.698 4.008 -8.159 1.00 0.00 O ATOM 133 OP2 C A 5 -1.393 3.867 -7.047 1.00 0.00 O ATOM 134 O5' C A 5 -3.458 4.178 -5.666 1.00 0.00 O ATOM 135 C5' C A 5 -4.869 4.386 -5.527 1.00 0.00 C ATOM 136 C4' C A 5 -5.246 4.768 -4.098 1.00 0.00 C ATOM 137 O4' C A 5 -4.846 3.726 -3.201 1.00 0.00 O ATOM 138 C3' C A 5 -4.539 5.989 -3.549 1.00 0.00 C ATOM 139 O3' C A 5 -5.299 7.143 -3.930 1.00 0.00 O ATOM 140 C2' C A 5 -4.709 5.794 -2.053 1.00 0.00 C ATOM 141 O2' C A 5 -6.041 6.124 -1.647 1.00 0.00 O ATOM 142 C1' C A 5 -4.465 4.287 -1.929 1.00 0.00 C ATOM 143 N1 C A 5 -3.045 3.965 -1.667 1.00 0.00 N ATOM 144 C2 C A 5 -2.650 3.836 -0.347 1.00 0.00 C ATOM 145 O2 C A 5 -3.459 3.995 0.565 1.00 0.00 O ATOM 146 N3 C A 5 -1.352 3.541 -0.078 1.00 0.00 N ATOM 147 C4 C A 5 -0.469 3.378 -1.067 1.00 0.00 C ATOM 148 N4 C A 5 0.785 3.097 -0.730 1.00 0.00 N ATOM 149 C5 C A 5 -0.864 3.508 -2.434 1.00 0.00 C ATOM 150 C6 C A 5 -2.154 3.801 -2.689 1.00 0.00 C ATOM 0 H5' C A 5 -5.400 3.478 -5.813 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.190 5.172 -6.210 1.00 0.00 H new ATOM 0 H4' C A 5 -6.319 4.953 -4.155 1.00 0.00 H new ATOM 0 H3' C A 5 -3.508 6.110 -3.881 1.00 0.00 H new ATOM 0 H2' C A 5 -4.056 6.413 -1.438 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.417 6.786 -2.265 1.00 0.00 H new ATOM 0 H1' C A 5 -5.036 3.886 -1.092 1.00 0.00 H new ATOM 0 H41 C A 5 1.490 2.965 -1.455 1.00 0.00 H new ATOM 0 H42 C A 5 1.042 3.013 0.253 1.00 0.00 H new ATOM 0 H5 C A 5 -0.153 3.376 -3.236 1.00 0.00 H new ATOM 0 H6 C A 5 -2.487 3.907 -3.711 1.00 0.00 H new ATOM 162 P U A 6 -4.561 8.537 -4.263 1.00 0.00 P ATOM 163 OP1 U A 6 -5.578 9.497 -4.748 1.00 0.00 O ATOM 164 OP2 U A 6 -3.369 8.243 -5.089 1.00 0.00 O ATOM 165 O5' U A 6 -4.054 9.023 -2.811 1.00 0.00 O ATOM 166 C5' U A 6 -4.978 9.556 -1.852 1.00 0.00 C ATOM 167 C4' U A 6 -4.349 9.670 -0.466 1.00 0.00 C ATOM 168 O4' U A 6 -3.906 8.376 -0.038 1.00 0.00 O ATOM 169 C3' U A 6 -3.099 10.526 -0.396 1.00 0.00 C ATOM 170 O3' U A 6 -3.521 11.868 -0.111 1.00 0.00 O ATOM 171 C2' U A 6 -2.403 9.980 0.842 1.00 0.00 C ATOM 172 O2' U A 6 -3.014 10.492 2.032 1.00 0.00 O ATOM 173 C1' U A 6 -2.672 8.480 0.696 1.00 0.00 C ATOM 174 N1 U A 6 -1.615 7.779 -0.067 1.00 0.00 N ATOM 175 C2 U A 6 -0.678 7.055 0.648 1.00 0.00 C ATOM 176 O2 U A 6 -0.686 6.989 1.874 1.00 0.00 O ATOM 177 N3 U A 6 0.275 6.399 -0.098 1.00 0.00 N ATOM 178 C4 U A 6 0.377 6.401 -1.473 1.00 0.00 C ATOM 179 O4 U A 6 1.270 5.764 -2.021 1.00 0.00 O ATOM 180 C5 U A 6 -0.631 7.180 -2.152 1.00 0.00 C ATOM 181 C6 U A 6 -1.579 7.833 -1.439 1.00 0.00 C ATOM 0 H5' U A 6 -5.859 8.916 -1.801 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.317 10.539 -2.180 1.00 0.00 H new ATOM 0 H4' U A 6 -5.132 10.119 0.145 1.00 0.00 H new ATOM 0 H3' U A 6 -2.484 10.515 -1.296 1.00 0.00 H new ATOM 0 H2' U A 6 -1.348 10.242 0.920 1.00 0.00 H new ATOM 0 HO2' U A 6 -3.605 11.239 1.801 1.00 0.00 H new ATOM 0 H1' U A 6 -2.707 8.019 1.683 1.00 0.00 H new ATOM 0 H3 U A 6 0.972 5.860 0.415 1.00 0.00 H new ATOM 0 H5 U A 6 -0.629 7.242 -3.230 1.00 0.00 H new ATOM 0 H6 U A 6 -2.326 8.411 -1.963 1.00 0.00 H new ATOM 192 P U A 7 -2.546 13.122 -0.376 1.00 0.00 P ATOM 193 OP1 U A 7 -3.384 14.310 -0.659 1.00 0.00 O ATOM 194 OP2 U A 7 -1.499 12.707 -1.341 1.00 0.00 O ATOM 195 O5' U A 7 -1.852 13.322 1.064 1.00 0.00 O ATOM 196 C5' U A 7 -1.270 14.576 1.442 1.00 0.00 C ATOM 197 C4' U A 7 -1.146 14.695 2.958 1.00 0.00 C ATOM 198 O4' U A 7 -2.458 14.667 3.547 1.00 0.00 O ATOM 199 C3' U A 7 -0.397 13.542 3.620 1.00 0.00 C ATOM 200 O3' U A 7 0.159 14.033 4.847 1.00 0.00 O ATOM 201 C2' U A 7 -1.510 12.572 3.975 1.00 0.00 C ATOM 202 O2' U A 7 -1.116 11.709 5.045 1.00 0.00 O ATOM 203 C1' U A 7 -2.590 13.544 4.427 1.00 0.00 C ATOM 204 N1 U A 7 -3.950 12.985 4.292 1.00 0.00 N ATOM 205 C2 U A 7 -4.680 12.782 5.448 1.00 0.00 C ATOM 206 O2 U A 7 -4.247 13.055 6.564 1.00 0.00 O ATOM 207 N3 U A 7 -5.940 12.253 5.282 1.00 0.00 N ATOM 208 C4 U A 7 -6.530 11.916 4.083 1.00 0.00 C ATOM 209 O4 U A 7 -7.666 11.453 4.069 1.00 0.00 O ATOM 210 C5 U A 7 -5.710 12.155 2.918 1.00 0.00 C ATOM 211 C6 U A 7 -4.465 12.674 3.060 1.00 0.00 C ATOM 0 H5' U A 7 -1.882 15.393 1.060 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.285 14.675 0.986 1.00 0.00 H new ATOM 0 H4' U A 7 -0.599 15.623 3.122 1.00 0.00 H new ATOM 0 H3' U A 7 0.390 13.110 3.002 1.00 0.00 H new ATOM 0 H2' U A 7 -1.807 11.902 3.168 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.434 10.799 4.866 1.00 0.00 H new ATOM 0 H1' U A 7 -2.465 13.790 5.482 1.00 0.00 H new ATOM 0 H3 U A 7 -6.489 12.095 6.127 1.00 0.00 H new ATOM 0 H5 U A 7 -6.088 11.920 1.934 1.00 0.00 H new ATOM 0 H6 U A 7 -3.864 12.847 2.180 1.00 0.00 H new ATOM 222 P C A 8 1.748 13.961 5.103 1.00 0.00 P ATOM 223 OP1 C A 8 1.995 14.171 6.548 1.00 0.00 O ATOM 224 OP2 C A 8 2.414 14.832 4.109 1.00 0.00 O ATOM 225 O5' C A 8 2.094 12.427 4.743 1.00 0.00 O ATOM 226 C5' C A 8 1.687 11.362 5.613 1.00 0.00 C ATOM 227 C4' C A 8 2.154 10.000 5.106 1.00 0.00 C ATOM 228 O4' C A 8 1.494 9.688 3.868 1.00 0.00 O ATOM 229 C3' C A 8 3.652 9.906 4.801 1.00 0.00 C ATOM 230 O3' C A 8 4.061 8.557 5.084 1.00 0.00 O ATOM 231 C2' C A 8 3.717 10.100 3.291 1.00 0.00 C ATOM 232 O2' C A 8 4.884 9.473 2.747 1.00 0.00 O ATOM 233 C1' C A 8 2.453 9.371 2.856 1.00 0.00 C ATOM 234 N1 C A 8 1.931 9.829 1.552 1.00 0.00 N ATOM 235 C2 C A 8 1.967 8.938 0.491 1.00 0.00 C ATOM 236 O2 C A 8 2.445 7.815 0.640 1.00 0.00 O ATOM 237 N3 C A 8 1.462 9.328 -0.711 1.00 0.00 N ATOM 238 C4 C A 8 0.940 10.550 -0.863 1.00 0.00 C ATOM 239 N4 C A 8 0.448 10.868 -2.057 1.00 0.00 N ATOM 240 C5 C A 8 0.900 11.477 0.224 1.00 0.00 C ATOM 241 C6 C A 8 1.403 11.079 1.405 1.00 0.00 C ATOM 0 H5' C A 8 0.601 11.362 5.703 1.00 0.00 H new ATOM 0 H5'' C A 8 2.090 11.535 6.611 1.00 0.00 H new ATOM 0 H4' C A 8 1.916 9.315 5.919 1.00 0.00 H new ATOM 0 H3' C A 8 4.265 10.612 5.361 1.00 0.00 H new ATOM 0 H2' C A 8 3.775 11.139 2.967 1.00 0.00 H new ATOM 0 HO2' C A 8 5.142 8.716 3.313 1.00 0.00 H new ATOM 0 H1' C A 8 2.657 8.307 2.739 1.00 0.00 H new ATOM 0 H41 C A 8 0.042 11.791 -2.212 1.00 0.00 H new ATOM 0 H42 C A 8 0.477 10.189 -2.818 1.00 0.00 H new ATOM 0 H5 C A 8 0.480 12.464 0.101 1.00 0.00 H new ATOM 0 H6 C A 8 1.389 11.756 2.247 1.00 0.00 H new ATOM 253 P G A 9 5.240 8.254 6.148 1.00 0.00 P ATOM 254 OP1 G A 9 6.065 9.477 6.290 1.00 0.00 O ATOM 255 OP2 G A 9 5.883 6.977 5.770 1.00 0.00 O ATOM 256 O5' G A 9 4.438 8.023 7.530 1.00 0.00 O ATOM 257 C5' G A 9 3.587 9.045 8.068 1.00 0.00 C ATOM 258 C4' G A 9 2.571 8.477 9.053 1.00 0.00 C ATOM 259 O4' G A 9 1.463 9.384 9.153 1.00 0.00 O ATOM 260 C3' G A 9 1.917 7.175 8.629 1.00 0.00 C ATOM 261 O3' G A 9 2.734 6.102 9.117 1.00 0.00 O ATOM 262 C2' G A 9 0.633 7.186 9.441 1.00 0.00 C ATOM 263 O2' G A 9 0.894 6.838 10.805 1.00 0.00 O ATOM 264 C1' G A 9 0.229 8.657 9.327 1.00 0.00 C ATOM 265 N9 G A 9 -0.660 8.920 8.169 1.00 0.00 N ATOM 266 C8 G A 9 -1.807 9.670 8.133 1.00 0.00 C ATOM 267 N7 G A 9 -2.372 9.717 6.958 1.00 0.00 N ATOM 268 C5 G A 9 -1.541 8.940 6.155 1.00 0.00 C ATOM 269 C6 G A 9 -1.641 8.619 4.773 1.00 0.00 C ATOM 270 O6 G A 9 -2.504 8.962 3.968 1.00 0.00 O ATOM 271 N1 G A 9 -0.600 7.813 4.359 1.00 0.00 N ATOM 272 C2 G A 9 0.415 7.365 5.163 1.00 0.00 C ATOM 273 N2 G A 9 1.340 6.605 4.599 1.00 0.00 N ATOM 274 N3 G A 9 0.523 7.654 6.455 1.00 0.00 N ATOM 275 C4 G A 9 -0.486 8.446 6.886 1.00 0.00 C ATOM 0 H5' G A 9 3.063 9.547 7.255 1.00 0.00 H new ATOM 0 H5'' G A 9 4.196 9.799 8.568 1.00 0.00 H new ATOM 0 H4' G A 9 3.144 8.321 9.967 1.00 0.00 H new ATOM 0 H3' G A 9 1.772 7.066 7.554 1.00 0.00 H new ATOM 0 H2' G A 9 -0.124 6.480 9.100 1.00 0.00 H new ATOM 0 HO2' G A 9 1.727 6.324 10.858 1.00 0.00 H new ATOM 0 H1' G A 9 -0.329 8.958 10.214 1.00 0.00 H new ATOM 0 H8 G A 9 -2.207 10.176 8.999 1.00 0.00 H new ATOM 0 H1 G A 9 -0.585 7.529 3.379 1.00 0.00 H new ATOM 0 H21 G A 9 2.116 6.247 5.157 1.00 0.00 H new ATOM 0 H22 G A 9 1.277 6.377 3.607 1.00 0.00 H new ATOM 287 P G A 10 3.461 5.086 8.095 1.00 0.00 P ATOM 288 OP1 G A 10 4.864 4.919 8.535 1.00 0.00 O ATOM 289 OP2 G A 10 3.170 5.524 6.709 1.00 0.00 O ATOM 290 O5' G A 10 2.683 3.694 8.358 1.00 0.00 O ATOM 291 C5' G A 10 2.034 3.439 9.613 1.00 0.00 C ATOM 292 C4' G A 10 0.513 3.414 9.476 1.00 0.00 C ATOM 293 O4' G A 10 0.124 4.480 8.598 1.00 0.00 O ATOM 294 C3' G A 10 -0.044 2.165 8.807 1.00 0.00 C ATOM 295 O3' G A 10 -0.411 1.243 9.844 1.00 0.00 O ATOM 296 C2' G A 10 -1.324 2.673 8.171 1.00 0.00 C ATOM 297 O2' G A 10 -2.359 2.832 9.149 1.00 0.00 O ATOM 298 C1' G A 10 -0.859 4.026 7.654 1.00 0.00 C ATOM 299 N9 G A 10 -0.186 3.891 6.353 1.00 0.00 N ATOM 300 C8 G A 10 1.100 3.483 6.114 1.00 0.00 C ATOM 301 N7 G A 10 1.407 3.431 4.848 1.00 0.00 N ATOM 302 C5 G A 10 0.239 3.833 4.207 1.00 0.00 C ATOM 303 C6 G A 10 -0.040 3.974 2.820 1.00 0.00 C ATOM 304 O6 G A 10 0.706 3.777 1.863 1.00 0.00 O ATOM 305 N1 G A 10 -1.335 4.400 2.604 1.00 0.00 N ATOM 306 C2 G A 10 -2.255 4.661 3.587 1.00 0.00 C ATOM 307 N2 G A 10 -3.454 5.065 3.193 1.00 0.00 N ATOM 308 N3 G A 10 -2.013 4.537 4.888 1.00 0.00 N ATOM 309 C4 G A 10 -0.746 4.119 5.123 1.00 0.00 C ATOM 0 H5' G A 10 2.321 4.207 10.332 1.00 0.00 H new ATOM 0 H5'' G A 10 2.378 2.485 10.012 1.00 0.00 H new ATOM 0 H4' G A 10 0.133 3.479 10.495 1.00 0.00 H new ATOM 0 H3' G A 10 0.644 1.684 8.111 1.00 0.00 H new ATOM 0 H2' G A 10 -1.748 2.012 7.415 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.018 2.574 10.031 1.00 0.00 H new ATOM 0 H1' G A 10 -1.707 4.701 7.540 1.00 0.00 H new ATOM 0 H8 G A 10 1.794 3.228 6.901 1.00 0.00 H new ATOM 0 H1 G A 10 -1.631 4.531 1.637 1.00 0.00 H new ATOM 0 H21 G A 10 -4.175 5.272 3.884 1.00 0.00 H new ATOM 0 H22 G A 10 -3.656 5.168 2.199 1.00 0.00 H new ATOM 321 P G A 11 -0.602 -0.325 9.518 1.00 0.00 P ATOM 322 OP1 G A 11 -0.968 -1.018 10.774 1.00 0.00 O ATOM 323 OP2 G A 11 0.570 -0.783 8.740 1.00 0.00 O ATOM 324 O5' G A 11 -1.887 -0.333 8.542 1.00 0.00 O ATOM 325 C5' G A 11 -3.183 0.031 9.035 1.00 0.00 C ATOM 326 C4' G A 11 -4.188 0.224 7.902 1.00 0.00 C ATOM 327 O4' G A 11 -3.699 1.207 6.983 1.00 0.00 O ATOM 328 C3' G A 11 -4.406 -0.988 7.019 1.00 0.00 C ATOM 329 O3' G A 11 -5.418 -1.795 7.640 1.00 0.00 O ATOM 330 C2' G A 11 -5.015 -0.357 5.776 1.00 0.00 C ATOM 331 O2' G A 11 -6.400 -0.055 5.985 1.00 0.00 O ATOM 332 C1' G A 11 -4.193 0.932 5.657 1.00 0.00 C ATOM 333 N9 G A 11 -3.048 0.791 4.735 1.00 0.00 N ATOM 334 C8 G A 11 -1.717 0.638 5.034 1.00 0.00 C ATOM 335 N7 G A 11 -0.950 0.549 3.983 1.00 0.00 N ATOM 336 C5 G A 11 -1.833 0.650 2.914 1.00 0.00 C ATOM 337 C6 G A 11 -1.582 0.618 1.514 1.00 0.00 C ATOM 338 O6 G A 11 -0.508 0.499 0.931 1.00 0.00 O ATOM 339 N1 G A 11 -2.749 0.750 0.785 1.00 0.00 N ATOM 340 C2 G A 11 -4.002 0.895 1.323 1.00 0.00 C ATOM 341 N2 G A 11 -5.012 1.009 0.473 1.00 0.00 N ATOM 342 N3 G A 11 -4.253 0.927 2.629 1.00 0.00 N ATOM 343 C4 G A 11 -3.122 0.797 3.364 1.00 0.00 C ATOM 0 H5' G A 11 -3.106 0.952 9.613 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.544 -0.742 9.713 1.00 0.00 H new ATOM 0 H4' G A 11 -5.110 0.482 8.422 1.00 0.00 H new ATOM 0 H3' G A 11 -3.517 -1.591 6.836 1.00 0.00 H new ATOM 0 H2' G A 11 -4.985 -0.993 4.891 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.755 -0.625 6.699 1.00 0.00 H new ATOM 0 H1' G A 11 -4.817 1.731 5.257 1.00 0.00 H new ATOM 0 H8 G A 11 -1.340 0.595 6.045 1.00 0.00 H new ATOM 0 H1 G A 11 -2.672 0.739 -0.232 1.00 0.00 H new ATOM 0 H21 G A 11 -5.964 1.119 0.823 1.00 0.00 H new ATOM 0 H22 G A 11 -4.838 0.987 -0.532 1.00 0.00 H new ATOM 355 P U A 12 -5.430 -3.394 7.447 1.00 0.00 P ATOM 356 OP1 U A 12 -6.679 -3.924 8.041 1.00 0.00 O ATOM 357 OP2 U A 12 -4.121 -3.925 7.888 1.00 0.00 O ATOM 358 O5' U A 12 -5.521 -3.557 5.845 1.00 0.00 O ATOM 359 C5' U A 12 -6.767 -3.384 5.156 1.00 0.00 C ATOM 360 C4' U A 12 -6.573 -3.404 3.643 1.00 0.00 C ATOM 361 O4' U A 12 -5.722 -2.317 3.261 1.00 0.00 O ATOM 362 C3' U A 12 -5.860 -4.631 3.112 1.00 0.00 C ATOM 363 O3' U A 12 -6.860 -5.610 2.805 1.00 0.00 O ATOM 364 C2' U A 12 -5.286 -4.127 1.799 1.00 0.00 C ATOM 365 O2' U A 12 -6.298 -4.069 0.790 1.00 0.00 O ATOM 366 C1' U A 12 -4.838 -2.719 2.196 1.00 0.00 C ATOM 367 N1 U A 12 -3.449 -2.687 2.703 1.00 0.00 N ATOM 368 C2 U A 12 -2.434 -2.513 1.782 1.00 0.00 C ATOM 369 O2 U A 12 -2.643 -2.407 0.576 1.00 0.00 O ATOM 370 N3 U A 12 -1.156 -2.476 2.294 1.00 0.00 N ATOM 371 C4 U A 12 -0.805 -2.599 3.620 1.00 0.00 C ATOM 372 O4 U A 12 0.375 -2.559 3.947 1.00 0.00 O ATOM 373 C5 U A 12 -1.917 -2.779 4.524 1.00 0.00 C ATOM 374 C6 U A 12 -3.182 -2.816 4.043 1.00 0.00 C ATOM 0 H5' U A 12 -7.221 -2.439 5.454 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.458 -4.175 5.446 1.00 0.00 H new ATOM 0 H4' U A 12 -7.584 -3.363 3.239 1.00 0.00 H new ATOM 0 H3' U A 12 -5.122 -5.058 3.791 1.00 0.00 H new ATOM 0 H2' U A 12 -4.497 -4.753 1.383 1.00 0.00 H new ATOM 0 HO2' U A 12 -7.076 -4.591 1.077 1.00 0.00 H new ATOM 0 H1' U A 12 -4.873 -2.063 1.326 1.00 0.00 H new ATOM 0 H3 U A 12 -0.396 -2.345 1.627 1.00 0.00 H new ATOM 0 H5 U A 12 -1.739 -2.884 5.584 1.00 0.00 H new ATOM 0 H6 U A 12 -4.003 -2.951 4.732 1.00 0.00 H new ATOM 385 P C A 13 -6.691 -7.139 3.290 1.00 0.00 P ATOM 386 OP1 C A 13 -8.034 -7.758 3.349 1.00 0.00 O ATOM 387 OP2 C A 13 -5.816 -7.154 4.484 1.00 0.00 O ATOM 388 O5' C A 13 -5.878 -7.800 2.067 1.00 0.00 O ATOM 389 C5' C A 13 -6.558 -8.233 0.882 1.00 0.00 C ATOM 390 C4' C A 13 -5.584 -8.525 -0.253 1.00 0.00 C ATOM 391 O4' C A 13 -4.860 -7.333 -0.582 1.00 0.00 O ATOM 392 C3' C A 13 -4.496 -9.526 0.080 1.00 0.00 C ATOM 393 O3' C A 13 -5.008 -10.830 -0.231 1.00 0.00 O ATOM 394 C2' C A 13 -3.428 -9.189 -0.947 1.00 0.00 C ATOM 395 O2' C A 13 -3.768 -9.726 -2.228 1.00 0.00 O ATOM 396 C1' C A 13 -3.509 -7.658 -0.962 1.00 0.00 C ATOM 397 N1 C A 13 -2.581 -7.026 0.004 1.00 0.00 N ATOM 398 C2 C A 13 -1.340 -6.623 -0.464 1.00 0.00 C ATOM 399 O2 C A 13 -1.027 -6.806 -1.639 1.00 0.00 O ATOM 400 N3 C A 13 -0.477 -6.027 0.399 1.00 0.00 N ATOM 401 C4 C A 13 -0.816 -5.834 1.677 1.00 0.00 C ATOM 402 N4 C A 13 0.075 -5.244 2.467 1.00 0.00 N ATOM 403 C5 C A 13 -2.093 -6.246 2.171 1.00 0.00 C ATOM 404 C6 C A 13 -2.940 -6.835 1.307 1.00 0.00 C ATOM 0 H5' C A 13 -7.264 -7.465 0.567 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.139 -9.129 1.103 1.00 0.00 H new ATOM 0 H4' C A 13 -6.216 -8.918 -1.049 1.00 0.00 H new ATOM 0 H3' C A 13 -4.150 -9.501 1.113 1.00 0.00 H new ATOM 0 H2' C A 13 -2.440 -9.588 -0.719 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.418 -10.451 -2.117 1.00 0.00 H new ATOM 0 H1' C A 13 -3.233 -7.289 -1.950 1.00 0.00 H new ATOM 0 H41 C A 13 -0.145 -5.078 3.449 1.00 0.00 H new ATOM 0 H42 C A 13 0.979 -4.957 2.091 1.00 0.00 H new ATOM 0 H5 C A 13 -2.369 -6.090 3.203 1.00 0.00 H new ATOM 0 H6 C A 13 -3.912 -7.159 1.647 1.00 0.00 H new ATOM 416 P C A 14 -5.255 -11.922 0.930 1.00 0.00 P ATOM 417 OP1 C A 14 -6.459 -12.708 0.580 1.00 0.00 O ATOM 418 OP2 C A 14 -5.174 -11.234 2.239 1.00 0.00 O ATOM 419 O5' C A 14 -3.964 -12.880 0.790 1.00 0.00 O ATOM 420 C5' C A 14 -3.784 -13.700 -0.372 1.00 0.00 C ATOM 421 C4' C A 14 -2.370 -13.577 -0.931 1.00 0.00 C ATOM 422 O4' C A 14 -2.069 -12.194 -1.160 1.00 0.00 O ATOM 423 C3' C A 14 -1.267 -14.038 0.007 1.00 0.00 C ATOM 424 O3' C A 14 -1.087 -15.456 -0.067 1.00 0.00 O ATOM 425 C2' C A 14 -0.069 -13.306 -0.581 1.00 0.00 C ATOM 426 O2' C A 14 0.376 -13.950 -1.782 1.00 0.00 O ATOM 427 C1' C A 14 -0.680 -11.938 -0.896 1.00 0.00 C ATOM 428 N1 C A 14 -0.578 -10.997 0.241 1.00 0.00 N ATOM 429 C2 C A 14 0.473 -10.092 0.238 1.00 0.00 C ATOM 430 O2 C A 14 1.286 -10.083 -0.684 1.00 0.00 O ATOM 431 N3 C A 14 0.589 -9.221 1.276 1.00 0.00 N ATOM 432 C4 C A 14 -0.296 -9.235 2.280 1.00 0.00 C ATOM 433 N4 C A 14 -0.123 -8.363 3.268 1.00 0.00 N ATOM 434 C5 C A 14 -1.384 -10.161 2.290 1.00 0.00 C ATOM 435 C6 C A 14 -1.488 -11.019 1.259 1.00 0.00 C ATOM 0 H5' C A 14 -4.505 -13.412 -1.137 1.00 0.00 H new ATOM 0 H5'' C A 14 -3.987 -14.741 -0.119 1.00 0.00 H new ATOM 0 H4' C A 14 -2.380 -14.205 -1.822 1.00 0.00 H new ATOM 0 H3' C A 14 -1.454 -13.832 1.061 1.00 0.00 H new ATOM 0 H2' C A 14 0.802 -13.270 0.073 1.00 0.00 H new ATOM 0 HO2' C A 14 0.065 -14.879 -1.789 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.371 -15.727 0.544 1.00 0.00 H new ATOM 0 H1' C A 14 -0.153 -11.478 -1.732 1.00 0.00 H new ATOM 0 H41 C A 14 -0.777 -8.343 4.051 1.00 0.00 H new ATOM 0 H42 C A 14 0.663 -7.714 3.243 1.00 0.00 H new ATOM 0 H5 C A 14 -2.100 -10.172 3.099 1.00 0.00 H new ATOM 0 H6 C A 14 -2.299 -11.732 1.236 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 3.828 -0.952 2.366 1.00 0.00 CO HETATM 450 N1 NCO A 15 3.341 -2.728 3.108 1.00 0.00 N HETATM 451 N2 NCO A 15 4.314 0.826 1.622 1.00 0.00 N HETATM 452 N3 NCO A 15 1.979 -0.304 2.699 1.00 0.00 N HETATM 453 N4 NCO A 15 5.676 -1.599 2.031 1.00 0.00 N HETATM 454 N5 NCO A 15 3.287 -1.560 0.554 1.00 0.00 N HETATM 455 N6 NCO A 15 4.367 -0.343 4.178 1.00 0.00 N