USER MOD reduce.3.24.130724 H: found=0, std=0, add=131, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 131 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 -29:sc= 0.298 USER MOD Single : A 1 G O5' : rot 77:sc= 1.11 USER MOD Single : A 2 G O2' : rot -107:sc= -0.579 USER MOD Single : A 3 C O2' : rot -14:sc= 0.324 USER MOD Single : A 4 G O2' : rot -90:sc= 1.12 USER MOD Single : A 5 C O2' : rot -36:sc= -5.55! USER MOD Single : A 6 U O2' : rot -19:sc= 1.43 USER MOD Single : A 7 U O2' : rot 126:sc= 1.12 USER MOD Single : A 8 G O2' : rot 89:sc= -2.56! USER MOD Single : A 9 C O2' : rot -89:sc= 1.06 USER MOD Single : A 10 G O2' : rot -19:sc= 0.312 USER MOD Single : A 11 U O2' : rot -84:sc= 0.867 USER MOD Single : A 12 C O2' : rot -21:sc= 0.318 USER MOD Single : A 12 C O3' : rot 180:sc= 0.29 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -1.837 -2.553 -7.551 1.00 0.59 O ATOM 2 C5' G A 1 -1.336 -3.894 -7.606 1.00 0.60 C ATOM 3 C4' G A 1 -2.437 -4.895 -7.951 1.00 0.46 C ATOM 4 O4' G A 1 -1.929 -6.237 -7.991 1.00 0.55 O ATOM 5 C3' G A 1 -3.538 -4.886 -6.896 1.00 0.33 C ATOM 6 O3' G A 1 -4.611 -4.064 -7.369 1.00 0.30 O ATOM 7 C2' G A 1 -4.002 -6.330 -6.864 1.00 0.34 C ATOM 8 O2' G A 1 -4.968 -6.593 -7.890 1.00 0.41 O ATOM 9 C1' G A 1 -2.698 -7.075 -7.115 1.00 0.49 C ATOM 10 N9 G A 1 -1.966 -7.321 -5.855 1.00 0.52 N ATOM 11 C8 G A 1 -0.653 -7.135 -5.573 1.00 0.66 C ATOM 12 N7 G A 1 -0.246 -7.434 -4.387 1.00 0.69 N ATOM 13 C5 G A 1 -1.426 -7.881 -3.785 1.00 0.54 C ATOM 14 C6 G A 1 -1.650 -8.356 -2.466 1.00 0.50 C ATOM 15 O6 G A 1 -0.837 -8.492 -1.554 1.00 0.58 O ATOM 16 N1 G A 1 -2.979 -8.697 -2.268 1.00 0.38 N ATOM 17 C2 G A 1 -3.974 -8.598 -3.217 1.00 0.36 C ATOM 18 N2 G A 1 -5.190 -8.967 -2.833 1.00 0.40 N ATOM 19 N3 G A 1 -3.774 -8.156 -4.460 1.00 0.38 N ATOM 20 C4 G A 1 -2.485 -7.814 -4.678 1.00 0.45 C ATOM 0 H5' G A 1 -0.893 -4.157 -6.645 1.00 0.60 H new ATOM 0 H5'' G A 1 -0.542 -3.956 -8.350 1.00 0.60 H new ATOM 0 H4' G A 1 -2.823 -4.595 -8.925 1.00 0.46 H new ATOM 0 H3' G A 1 -3.215 -4.513 -5.924 1.00 0.33 H new ATOM 0 H2' G A 1 -4.503 -6.616 -5.939 1.00 0.34 H new ATOM 0 HO2' G A 1 -5.468 -5.774 -8.086 1.00 0.41 H new ATOM 0 HO5' G A 1 -2.322 -2.419 -6.710 1.00 0.59 H new ATOM 0 H1' G A 1 -2.887 -8.054 -7.555 1.00 0.49 H new ATOM 0 H8 G A 1 0.029 -6.749 -6.317 1.00 0.66 H new ATOM 0 H1 G A 1 -3.241 -9.049 -1.347 1.00 0.38 H new ATOM 0 H21 G A 1 -5.969 -8.917 -3.489 1.00 0.40 H new ATOM 0 H22 G A 1 -5.345 -9.301 -1.882 1.00 0.40 H new ATOM 33 P G A 2 -4.981 -2.694 -6.609 1.00 0.44 P ATOM 34 OP1 G A 2 -5.823 -1.877 -7.511 1.00 0.73 O ATOM 35 OP2 G A 2 -3.731 -2.129 -6.048 1.00 0.57 O ATOM 36 O5' G A 2 -5.897 -3.208 -5.388 1.00 0.42 O ATOM 37 C5' G A 2 -7.056 -4.011 -5.640 1.00 0.49 C ATOM 38 C4' G A 2 -7.484 -4.802 -4.404 1.00 0.42 C ATOM 39 O4' G A 2 -6.464 -5.693 -3.964 1.00 0.43 O ATOM 40 C3' G A 2 -7.733 -3.894 -3.216 1.00 0.31 C ATOM 41 O3' G A 2 -9.089 -3.427 -3.268 1.00 0.31 O ATOM 42 C2' G A 2 -7.581 -4.843 -2.030 1.00 0.31 C ATOM 43 O2' G A 2 -8.843 -5.394 -1.632 1.00 0.37 O ATOM 44 C1' G A 2 -6.640 -5.934 -2.560 1.00 0.37 C ATOM 45 N9 G A 2 -5.352 -5.903 -1.839 1.00 0.32 N ATOM 46 C8 G A 2 -4.092 -5.725 -2.309 1.00 0.30 C ATOM 47 N7 G A 2 -3.129 -5.724 -1.448 1.00 0.29 N ATOM 48 C5 G A 2 -3.819 -5.929 -0.247 1.00 0.28 C ATOM 49 C6 G A 2 -3.328 -6.030 1.083 1.00 0.28 C ATOM 50 O6 G A 2 -2.167 -5.958 1.475 1.00 0.31 O ATOM 51 N1 G A 2 -4.357 -6.234 1.992 1.00 0.28 N ATOM 52 C2 G A 2 -5.692 -6.334 1.668 1.00 0.31 C ATOM 53 N2 G A 2 -6.531 -6.542 2.675 1.00 0.34 N ATOM 54 N3 G A 2 -6.162 -6.241 0.425 1.00 0.32 N ATOM 55 C4 G A 2 -5.179 -6.039 -0.480 1.00 0.30 C ATOM 0 H5' G A 2 -6.848 -4.701 -6.458 1.00 0.49 H new ATOM 0 H5'' G A 2 -7.877 -3.371 -5.963 1.00 0.49 H new ATOM 0 H4' G A 2 -8.385 -5.333 -4.712 1.00 0.42 H new ATOM 0 H3' G A 2 -7.074 -3.027 -3.174 1.00 0.31 H new ATOM 0 H2' G A 2 -7.195 -4.345 -1.141 1.00 0.31 H new ATOM 0 HO2' G A 2 -9.126 -4.986 -0.787 1.00 0.37 H new ATOM 0 H1' G A 2 -7.061 -6.926 -2.401 1.00 0.37 H new ATOM 0 H8 G A 2 -3.901 -5.589 -3.363 1.00 0.30 H new ATOM 0 H1 G A 2 -4.105 -6.316 2.977 1.00 0.28 H new ATOM 0 H21 G A 2 -7.532 -6.625 2.496 1.00 0.34 H new ATOM 0 H22 G A 2 -6.175 -6.619 3.628 1.00 0.34 H new ATOM 67 P C A 3 -9.635 -2.351 -2.196 1.00 0.24 P ATOM 68 OP1 C A 3 -11.027 -2.004 -2.558 1.00 0.29 O ATOM 69 OP2 C A 3 -8.619 -1.283 -2.051 1.00 0.32 O ATOM 70 O5' C A 3 -9.660 -3.207 -0.828 1.00 0.25 O ATOM 71 C5' C A 3 -10.898 -3.618 -0.238 1.00 0.23 C ATOM 72 C4' C A 3 -10.829 -3.586 1.286 1.00 0.20 C ATOM 73 O4' C A 3 -9.792 -4.441 1.778 1.00 0.22 O ATOM 74 C3' C A 3 -10.486 -2.193 1.786 1.00 0.19 C ATOM 75 O3' C A 3 -11.706 -1.486 2.040 1.00 0.21 O ATOM 76 C2' C A 3 -9.794 -2.469 3.109 1.00 0.22 C ATOM 77 O2' C A 3 -10.740 -2.616 4.174 1.00 0.27 O ATOM 78 C1' C A 3 -9.062 -3.779 2.826 1.00 0.22 C ATOM 79 N1 C A 3 -7.662 -3.528 2.418 1.00 0.21 N ATOM 80 C2 C A 3 -6.673 -3.694 3.377 1.00 0.24 C ATOM 81 O2 C A 3 -6.970 -4.031 4.521 1.00 0.28 O ATOM 82 N3 C A 3 -5.378 -3.478 3.014 1.00 0.25 N ATOM 83 C4 C A 3 -5.068 -3.114 1.763 1.00 0.24 C ATOM 84 N4 C A 3 -3.794 -2.918 1.439 1.00 0.26 N ATOM 85 C5 C A 3 -6.083 -2.940 0.773 1.00 0.23 C ATOM 86 C6 C A 3 -7.360 -3.156 1.140 1.00 0.22 C ATOM 0 H5' C A 3 -11.144 -4.626 -0.571 1.00 0.23 H new ATOM 0 H5'' C A 3 -11.700 -2.965 -0.581 1.00 0.23 H new ATOM 0 H4' C A 3 -11.808 -3.909 1.639 1.00 0.20 H new ATOM 0 H3' C A 3 -9.885 -1.608 1.090 1.00 0.19 H new ATOM 0 H2' C A 3 -9.135 -1.663 3.433 1.00 0.22 H new ATOM 0 HO2' C A 3 -11.618 -2.295 3.879 1.00 0.27 H new ATOM 0 H1' C A 3 -9.018 -4.399 3.721 1.00 0.22 H new ATOM 0 H41 C A 3 -3.546 -2.641 0.489 1.00 0.26 H new ATOM 0 H42 C A 3 -3.064 -3.045 2.140 1.00 0.26 H new ATOM 0 H5 C A 3 -5.834 -2.645 -0.236 1.00 0.23 H new ATOM 0 H6 C A 3 -8.153 -3.034 0.417 1.00 0.22 H new ATOM 98 P G A 4 -12.096 -0.187 1.170 1.00 0.20 P ATOM 99 OP1 G A 4 -13.572 -0.110 1.089 1.00 0.31 O ATOM 100 OP2 G A 4 -11.288 -0.198 -0.071 1.00 0.24 O ATOM 101 O5' G A 4 -11.576 1.023 2.099 1.00 0.18 O ATOM 102 C5' G A 4 -10.175 1.257 2.283 1.00 0.21 C ATOM 103 C4' G A 4 -9.783 1.181 3.757 1.00 0.18 C ATOM 104 O4' G A 4 -8.989 0.021 4.024 1.00 0.22 O ATOM 105 C3' G A 4 -8.946 2.386 4.164 1.00 0.18 C ATOM 106 O3' G A 4 -9.824 3.330 4.792 1.00 0.20 O ATOM 107 C2' G A 4 -7.980 1.826 5.201 1.00 0.20 C ATOM 108 O2' G A 4 -8.521 1.908 6.526 1.00 0.23 O ATOM 109 C1' G A 4 -7.810 0.375 4.760 1.00 0.20 C ATOM 110 N9 G A 4 -6.606 0.196 3.920 1.00 0.18 N ATOM 111 C8 G A 4 -6.491 0.197 2.569 1.00 0.19 C ATOM 112 N7 G A 4 -5.329 -0.047 2.066 1.00 0.19 N ATOM 113 C5 G A 4 -4.556 -0.237 3.214 1.00 0.17 C ATOM 114 C6 G A 4 -3.175 -0.544 3.340 1.00 0.18 C ATOM 115 O6 G A 4 -2.344 -0.710 2.450 1.00 0.21 O ATOM 116 N1 G A 4 -2.796 -0.650 4.667 1.00 0.18 N ATOM 117 C2 G A 4 -3.632 -0.482 5.748 1.00 0.19 C ATOM 118 N2 G A 4 -3.074 -0.603 6.945 1.00 0.21 N ATOM 119 N3 G A 4 -4.931 -0.195 5.644 1.00 0.18 N ATOM 120 C4 G A 4 -5.329 -0.087 4.355 1.00 0.17 C ATOM 0 H5' G A 4 -9.914 2.238 1.886 1.00 0.21 H new ATOM 0 H5'' G A 4 -9.605 0.522 1.716 1.00 0.21 H new ATOM 0 H4' G A 4 -10.716 1.147 4.320 1.00 0.18 H new ATOM 0 H3' G A 4 -8.432 2.873 3.336 1.00 0.18 H new ATOM 0 H2' G A 4 -7.040 2.376 5.248 1.00 0.20 H new ATOM 0 HO2' G A 4 -8.267 2.764 6.931 1.00 0.23 H new ATOM 0 H1' G A 4 -7.679 -0.266 5.631 1.00 0.20 H new ATOM 0 H8 G A 4 -7.343 0.395 1.936 1.00 0.19 H new ATOM 0 H1 G A 4 -1.819 -0.870 4.860 1.00 0.18 H new ATOM 0 H21 G A 4 -3.641 -0.490 7.786 1.00 0.21 H new ATOM 0 H22 G A 4 -2.078 -0.809 7.025 1.00 0.21 H new ATOM 132 P C A 5 -9.274 4.732 5.363 1.00 0.23 P ATOM 133 OP1 C A 5 -10.418 5.664 5.476 1.00 0.27 O ATOM 134 OP2 C A 5 -8.081 5.119 4.578 1.00 0.28 O ATOM 135 O5' C A 5 -8.799 4.331 6.852 1.00 0.25 O ATOM 136 C5' C A 5 -8.150 5.285 7.702 1.00 0.27 C ATOM 137 C4' C A 5 -6.699 4.894 7.986 1.00 0.21 C ATOM 138 O4' C A 5 -6.206 3.976 7.000 1.00 0.20 O ATOM 139 C3' C A 5 -5.781 6.121 7.944 1.00 0.19 C ATOM 140 O3' C A 5 -4.902 6.059 9.076 1.00 0.20 O ATOM 141 C2' C A 5 -4.962 5.925 6.673 1.00 0.18 C ATOM 142 O2' C A 5 -3.647 6.480 6.792 1.00 0.22 O ATOM 143 C1' C A 5 -4.924 4.412 6.556 1.00 0.17 C ATOM 144 N1 C A 5 -4.651 3.978 5.168 1.00 0.16 N ATOM 145 C2 C A 5 -3.393 3.464 4.900 1.00 0.20 C ATOM 146 O2 C A 5 -2.552 3.400 5.800 1.00 0.27 O ATOM 147 N3 C A 5 -3.125 3.039 3.630 1.00 0.20 N ATOM 148 C4 C A 5 -4.053 3.116 2.668 1.00 0.18 C ATOM 149 N4 C A 5 -3.760 2.686 1.438 1.00 0.20 N ATOM 150 C5 C A 5 -5.351 3.647 2.942 1.00 0.18 C ATOM 151 C6 C A 5 -5.606 4.063 4.198 1.00 0.16 C ATOM 0 H5' C A 5 -8.696 5.366 8.642 1.00 0.27 H new ATOM 0 H5'' C A 5 -8.177 6.268 7.233 1.00 0.27 H new ATOM 0 H4' C A 5 -6.692 4.437 8.975 1.00 0.21 H new ATOM 0 H3' C A 5 -6.318 7.069 7.961 1.00 0.19 H new ATOM 0 H2' C A 5 -5.384 6.424 5.801 1.00 0.18 H new ATOM 0 HO2' C A 5 -3.685 7.299 7.329 1.00 0.22 H new ATOM 0 H1' C A 5 -4.120 3.980 7.153 1.00 0.17 H new ATOM 0 H41 C A 5 -4.460 2.740 0.698 1.00 0.20 H new ATOM 0 H42 C A 5 -2.836 2.303 1.238 1.00 0.20 H new ATOM 0 H5 C A 5 -6.102 3.713 2.169 1.00 0.18 H new ATOM 0 H6 C A 5 -6.578 4.468 4.439 1.00 0.16 H new ATOM 163 P U A 6 -4.407 7.402 9.818 1.00 0.22 P ATOM 164 OP1 U A 6 -3.710 7.010 11.063 1.00 0.28 O ATOM 165 OP2 U A 6 -5.543 8.349 9.871 1.00 0.29 O ATOM 166 O5' U A 6 -3.314 7.981 8.781 1.00 0.20 O ATOM 167 C5' U A 6 -2.015 8.396 9.230 1.00 0.22 C ATOM 168 C4' U A 6 -0.911 7.500 8.674 1.00 0.20 C ATOM 169 O4' U A 6 -0.960 6.207 9.273 1.00 0.24 O ATOM 170 C3' U A 6 -1.079 7.300 7.168 1.00 0.20 C ATOM 171 O3' U A 6 0.071 7.841 6.511 1.00 0.21 O ATOM 172 C2' U A 6 -1.088 5.784 6.951 1.00 0.23 C ATOM 173 O2' U A 6 -0.182 5.395 5.912 1.00 0.35 O ATOM 174 C1' U A 6 -0.658 5.213 8.297 1.00 0.22 C ATOM 175 N1 U A 6 -1.375 3.956 8.590 1.00 0.22 N ATOM 176 C2 U A 6 -0.780 2.769 8.202 1.00 0.31 C ATOM 177 O2 U A 6 0.301 2.735 7.622 1.00 0.42 O ATOM 178 N3 U A 6 -1.478 1.617 8.492 1.00 0.31 N ATOM 179 C4 U A 6 -2.704 1.543 9.127 1.00 0.25 C ATOM 180 O4 U A 6 -3.233 0.455 9.338 1.00 0.30 O ATOM 181 C5 U A 6 -3.257 2.827 9.495 1.00 0.22 C ATOM 182 C6 U A 6 -2.590 3.972 9.222 1.00 0.20 C ATOM 0 H5' U A 6 -1.984 8.378 10.319 1.00 0.22 H new ATOM 0 H5'' U A 6 -1.836 9.426 8.923 1.00 0.22 H new ATOM 0 H4' U A 6 0.036 7.992 8.894 1.00 0.20 H new ATOM 0 H3' U A 6 -1.981 7.778 6.786 1.00 0.20 H new ATOM 0 H2' U A 6 -2.065 5.419 6.633 1.00 0.23 H new ATOM 0 HO2' U A 6 0.029 6.172 5.354 1.00 0.35 H new ATOM 0 H1' U A 6 0.405 4.973 8.297 1.00 0.22 H new ATOM 0 H3 U A 6 -1.050 0.735 8.212 1.00 0.31 H new ATOM 0 H5 U A 6 -4.214 2.873 9.994 1.00 0.22 H new ATOM 0 H6 U A 6 -3.025 4.918 9.508 1.00 0.20 H new ATOM 193 P U A 7 0.008 9.278 5.783 1.00 0.23 P ATOM 194 OP1 U A 7 0.489 10.301 6.740 1.00 0.33 O ATOM 195 OP2 U A 7 -1.325 9.424 5.156 1.00 0.32 O ATOM 196 O5' U A 7 1.103 9.135 4.607 1.00 0.24 O ATOM 197 C5' U A 7 2.217 8.244 4.743 1.00 0.24 C ATOM 198 C4' U A 7 1.974 6.915 4.026 1.00 0.20 C ATOM 199 O4' U A 7 0.579 6.621 3.928 1.00 0.20 O ATOM 200 C3' U A 7 2.510 6.952 2.588 1.00 0.20 C ATOM 201 O3' U A 7 3.484 5.912 2.457 1.00 0.24 O ATOM 202 C2' U A 7 1.305 6.599 1.712 1.00 0.20 C ATOM 203 O2' U A 7 1.662 5.707 0.647 1.00 0.24 O ATOM 204 C1' U A 7 0.359 5.937 2.700 1.00 0.19 C ATOM 205 N1 U A 7 -1.053 6.042 2.263 1.00 0.19 N ATOM 206 C2 U A 7 -1.400 5.436 1.067 1.00 0.22 C ATOM 207 O2 U A 7 -0.581 4.849 0.366 1.00 0.27 O ATOM 208 N3 U A 7 -2.726 5.532 0.700 1.00 0.25 N ATOM 209 C4 U A 7 -3.726 6.169 1.408 1.00 0.27 C ATOM 210 O4 U A 7 -4.879 6.179 0.986 1.00 0.32 O ATOM 211 C5 U A 7 -3.278 6.776 2.640 1.00 0.27 C ATOM 212 C6 U A 7 -1.981 6.697 3.023 1.00 0.23 C ATOM 0 H5' U A 7 2.406 8.057 5.800 1.00 0.24 H new ATOM 0 H5'' U A 7 3.112 8.717 4.338 1.00 0.24 H new ATOM 0 H4' U A 7 2.490 6.158 4.617 1.00 0.20 H new ATOM 0 H3' U A 7 2.955 7.911 2.321 1.00 0.20 H new ATOM 0 H2' U A 7 0.872 7.464 1.210 1.00 0.20 H new ATOM 0 HO2' U A 7 1.084 4.916 0.675 1.00 0.24 H new ATOM 0 H1' U A 7 0.549 4.867 2.789 1.00 0.19 H new ATOM 0 H3 U A 7 -2.994 5.090 -0.179 1.00 0.25 H new ATOM 0 H5 U A 7 -3.987 7.300 3.264 1.00 0.27 H new ATOM 0 H6 U A 7 -1.674 7.161 3.948 1.00 0.23 H new ATOM 223 P G A 8 4.894 6.183 1.731 1.00 0.29 P ATOM 224 OP1 G A 8 5.126 7.645 1.688 1.00 0.41 O ATOM 225 OP2 G A 8 4.926 5.395 0.478 1.00 0.54 O ATOM 226 O5' G A 8 5.957 5.535 2.757 1.00 0.33 O ATOM 227 C5' G A 8 5.960 5.895 4.145 1.00 0.40 C ATOM 228 C4' G A 8 5.316 4.812 5.006 1.00 0.29 C ATOM 229 O4' G A 8 3.961 4.592 4.608 1.00 0.25 O ATOM 230 C3' G A 8 6.057 3.481 4.858 1.00 0.26 C ATOM 231 O3' G A 8 6.264 2.929 6.166 1.00 0.24 O ATOM 232 C2' G A 8 5.094 2.578 4.095 1.00 0.23 C ATOM 233 O2' G A 8 5.142 1.232 4.582 1.00 0.27 O ATOM 234 C1' G A 8 3.732 3.206 4.358 1.00 0.19 C ATOM 235 N9 G A 8 2.826 3.014 3.205 1.00 0.18 N ATOM 236 C8 G A 8 3.054 3.181 1.876 1.00 0.21 C ATOM 237 N7 G A 8 2.086 2.913 1.064 1.00 0.21 N ATOM 238 C5 G A 8 1.076 2.523 1.948 1.00 0.18 C ATOM 239 C6 G A 8 -0.258 2.103 1.686 1.00 0.19 C ATOM 240 O6 G A 8 -0.831 1.988 0.606 1.00 0.23 O ATOM 241 N1 G A 8 -0.932 1.809 2.856 1.00 0.17 N ATOM 242 C2 G A 8 -0.405 1.901 4.121 1.00 0.15 C ATOM 243 N2 G A 8 -1.235 1.629 5.112 1.00 0.16 N ATOM 244 N3 G A 8 0.840 2.290 4.382 1.00 0.15 N ATOM 245 C4 G A 8 1.524 2.586 3.259 1.00 0.16 C ATOM 0 H5' G A 8 5.424 6.834 4.279 1.00 0.40 H new ATOM 0 H5'' G A 8 6.985 6.063 4.476 1.00 0.40 H new ATOM 0 H4' G A 8 5.362 5.157 6.039 1.00 0.29 H new ATOM 0 H3' G A 8 7.018 3.587 4.355 1.00 0.26 H new ATOM 0 H2' G A 8 5.334 2.510 3.034 1.00 0.23 H new ATOM 0 HO2' G A 8 4.498 1.125 5.313 1.00 0.27 H new ATOM 0 H1' G A 8 3.246 2.734 5.212 1.00 0.19 H new ATOM 0 H8 G A 8 4.011 3.526 1.512 1.00 0.21 H new ATOM 0 H1 G A 8 -1.900 1.498 2.773 1.00 0.17 H new ATOM 0 H21 G A 8 -0.910 1.678 6.078 1.00 0.16 H new ATOM 0 H22 G A 8 -2.201 1.370 4.912 1.00 0.16 H new ATOM 257 P C A 9 7.561 2.022 6.481 1.00 0.27 P ATOM 258 OP1 C A 9 8.537 2.851 7.223 1.00 0.37 O ATOM 259 OP2 C A 9 7.974 1.346 5.228 1.00 0.37 O ATOM 260 O5' C A 9 6.982 0.903 7.489 1.00 0.28 O ATOM 261 C5' C A 9 5.961 -0.013 7.074 1.00 0.25 C ATOM 262 C4' C A 9 4.602 0.368 7.655 1.00 0.22 C ATOM 263 O4' C A 9 3.754 0.953 6.665 1.00 0.23 O ATOM 264 C3' C A 9 3.842 -0.851 8.151 1.00 0.21 C ATOM 265 O3' C A 9 4.224 -1.120 9.508 1.00 0.24 O ATOM 266 C2' C A 9 2.401 -0.362 8.125 1.00 0.22 C ATOM 267 O2' C A 9 2.063 0.356 9.320 1.00 0.28 O ATOM 268 C1' C A 9 2.387 0.555 6.903 1.00 0.21 C ATOM 269 N1 C A 9 1.817 -0.142 5.730 1.00 0.19 N ATOM 270 C2 C A 9 0.473 -0.491 5.781 1.00 0.17 C ATOM 271 O2 C A 9 -0.199 -0.241 6.782 1.00 0.20 O ATOM 272 N3 C A 9 -0.072 -1.117 4.703 1.00 0.19 N ATOM 273 C4 C A 9 0.668 -1.393 3.623 1.00 0.23 C ATOM 274 N4 C A 9 0.103 -2.018 2.596 1.00 0.28 N ATOM 275 C5 C A 9 2.052 -1.040 3.565 1.00 0.25 C ATOM 276 C6 C A 9 2.584 -0.418 4.634 1.00 0.23 C ATOM 0 H5' C A 9 6.224 -1.022 7.391 1.00 0.25 H new ATOM 0 H5'' C A 9 5.902 -0.026 5.986 1.00 0.25 H new ATOM 0 H4' C A 9 4.822 1.064 8.465 1.00 0.22 H new ATOM 0 H3' C A 9 4.017 -1.756 7.569 1.00 0.21 H new ATOM 0 H2' C A 9 1.672 -1.171 8.073 1.00 0.22 H new ATOM 0 HO2' C A 9 1.728 -0.271 9.995 1.00 0.28 H new ATOM 0 H1' C A 9 1.760 1.429 7.077 1.00 0.21 H new ATOM 0 H41 C A 9 0.654 -2.235 1.766 1.00 0.28 H new ATOM 0 H42 C A 9 -0.882 -2.281 2.638 1.00 0.28 H new ATOM 0 H5 C A 9 2.650 -1.264 2.694 1.00 0.25 H new ATOM 0 H6 C A 9 3.626 -0.135 4.625 1.00 0.23 H new ATOM 288 P G A 10 3.426 -2.215 10.384 1.00 0.55 P ATOM 289 OP1 G A 10 2.145 -1.605 10.810 1.00 0.98 O ATOM 290 OP2 G A 10 4.354 -2.767 11.396 1.00 0.94 O ATOM 291 O5' G A 10 3.109 -3.370 9.302 1.00 0.47 O ATOM 292 C5' G A 10 2.758 -4.698 9.717 1.00 0.40 C ATOM 293 C4' G A 10 1.315 -4.775 10.223 1.00 0.38 C ATOM 294 O4' G A 10 0.548 -3.646 9.781 1.00 0.47 O ATOM 295 C3' G A 10 0.598 -6.007 9.679 1.00 0.30 C ATOM 296 O3' G A 10 0.692 -7.060 10.648 1.00 0.30 O ATOM 297 C2' G A 10 -0.847 -5.549 9.603 1.00 0.35 C ATOM 298 O2' G A 10 -1.506 -5.688 10.867 1.00 0.45 O ATOM 299 C1' G A 10 -0.693 -4.084 9.211 1.00 0.42 C ATOM 300 N9 G A 10 -0.687 -3.922 7.743 1.00 0.38 N ATOM 301 C8 G A 10 0.358 -3.787 6.886 1.00 0.38 C ATOM 302 N7 G A 10 0.088 -3.657 5.631 1.00 0.37 N ATOM 303 C5 G A 10 -1.311 -3.708 5.633 1.00 0.33 C ATOM 304 C6 G A 10 -2.231 -3.620 4.551 1.00 0.31 C ATOM 305 O6 G A 10 -1.993 -3.471 3.355 1.00 0.34 O ATOM 306 N1 G A 10 -3.543 -3.718 4.989 1.00 0.30 N ATOM 307 C2 G A 10 -3.931 -3.880 6.301 1.00 0.33 C ATOM 308 N2 G A 10 -5.236 -3.956 6.525 1.00 0.38 N ATOM 309 N3 G A 10 -3.077 -3.963 7.322 1.00 0.37 N ATOM 310 C4 G A 10 -1.790 -3.871 6.922 1.00 0.35 C ATOM 0 H5' G A 10 3.437 -5.023 10.505 1.00 0.40 H new ATOM 0 H5'' G A 10 2.887 -5.386 8.881 1.00 0.40 H new ATOM 0 H4' G A 10 1.383 -4.808 11.310 1.00 0.38 H new ATOM 0 H3' G A 10 1.000 -6.368 8.732 1.00 0.30 H new ATOM 0 H2' G A 10 -1.457 -6.127 8.909 1.00 0.35 H new ATOM 0 HO2' G A 10 -1.009 -6.321 11.427 1.00 0.45 H new ATOM 0 H1' G A 10 -1.529 -3.490 9.580 1.00 0.42 H new ATOM 0 H8 G A 10 1.378 -3.788 7.242 1.00 0.38 H new ATOM 0 H1 G A 10 -4.279 -3.666 4.284 1.00 0.30 H new ATOM 0 H21 G A 10 -5.584 -4.076 7.476 1.00 0.38 H new ATOM 0 H22 G A 10 -5.892 -3.894 5.746 1.00 0.38 H new ATOM 322 P U A 11 0.823 -8.600 10.184 1.00 0.29 P ATOM 323 OP1 U A 11 0.284 -9.457 11.265 1.00 0.40 O ATOM 324 OP2 U A 11 2.201 -8.817 9.690 1.00 0.44 O ATOM 325 O5' U A 11 -0.181 -8.681 8.922 1.00 0.28 O ATOM 326 C5' U A 11 -1.343 -9.521 8.957 1.00 0.55 C ATOM 327 C4' U A 11 -2.606 -8.761 8.542 1.00 0.39 C ATOM 328 O4' U A 11 -2.308 -7.397 8.213 1.00 0.33 O ATOM 329 C3' U A 11 -3.234 -9.372 7.294 1.00 0.26 C ATOM 330 O3' U A 11 -4.291 -10.251 7.703 1.00 0.33 O ATOM 331 C2' U A 11 -3.838 -8.170 6.583 1.00 0.22 C ATOM 332 O2' U A 11 -5.152 -7.864 7.070 1.00 0.37 O ATOM 333 C1' U A 11 -2.850 -7.066 6.927 1.00 0.26 C ATOM 334 N1 U A 11 -1.781 -6.962 5.906 1.00 0.22 N ATOM 335 C2 U A 11 -2.153 -6.628 4.614 1.00 0.24 C ATOM 336 O2 U A 11 -3.325 -6.438 4.294 1.00 0.27 O ATOM 337 N3 U A 11 -1.130 -6.526 3.696 1.00 0.26 N ATOM 338 C4 U A 11 0.214 -6.726 3.942 1.00 0.27 C ATOM 339 O4 U A 11 1.037 -6.611 3.039 1.00 0.33 O ATOM 340 C5 U A 11 0.516 -7.072 5.313 1.00 0.27 C ATOM 341 C6 U A 11 -0.469 -7.179 6.236 1.00 0.25 C ATOM 0 H5' U A 11 -1.473 -9.920 9.963 1.00 0.55 H new ATOM 0 H5'' U A 11 -1.196 -10.373 8.293 1.00 0.55 H new ATOM 0 H4' U A 11 -3.285 -8.820 9.392 1.00 0.39 H new ATOM 0 H3' U A 11 -2.533 -9.933 6.676 1.00 0.26 H new ATOM 0 H2' U A 11 -3.973 -8.325 5.513 1.00 0.22 H new ATOM 0 HO2' U A 11 -5.811 -8.423 6.608 1.00 0.37 H new ATOM 0 H1' U A 11 -3.343 -6.094 6.947 1.00 0.26 H new ATOM 0 H3 U A 11 -1.391 -6.279 2.742 1.00 0.26 H new ATOM 0 H5 U A 11 1.541 -7.247 5.605 1.00 0.27 H new ATOM 0 H6 U A 11 -0.215 -7.441 7.253 1.00 0.25 H new ATOM 352 P C A 12 -5.235 -10.970 6.612 1.00 0.49 P ATOM 353 OP1 C A 12 -6.020 -12.020 7.298 1.00 0.59 O ATOM 354 OP2 C A 12 -4.407 -11.315 5.434 1.00 0.83 O ATOM 355 O5' C A 12 -6.238 -9.780 6.187 1.00 0.63 O ATOM 356 C5' C A 12 -7.565 -10.065 5.732 1.00 0.49 C ATOM 357 C4' C A 12 -7.659 -10.047 4.206 1.00 0.39 C ATOM 358 O4' C A 12 -6.734 -9.133 3.633 1.00 0.36 O ATOM 359 C3' C A 12 -7.297 -11.394 3.610 1.00 0.33 C ATOM 360 O3' C A 12 -8.416 -12.287 3.611 1.00 0.47 O ATOM 361 C2' C A 12 -6.880 -11.026 2.189 1.00 0.44 C ATOM 362 O2' C A 12 -7.978 -11.165 1.276 1.00 0.68 O ATOM 363 C1' C A 12 -6.432 -9.563 2.300 1.00 0.35 C ATOM 364 N1 C A 12 -4.989 -9.425 2.010 1.00 0.32 N ATOM 365 C2 C A 12 -4.616 -9.248 0.684 1.00 0.35 C ATOM 366 O2 C A 12 -5.466 -9.233 -0.203 1.00 0.41 O ATOM 367 N3 C A 12 -3.294 -9.100 0.400 1.00 0.37 N ATOM 368 C4 C A 12 -2.374 -9.125 1.372 1.00 0.39 C ATOM 369 N4 C A 12 -1.090 -8.971 1.057 1.00 0.47 N ATOM 370 C5 C A 12 -2.753 -9.310 2.739 1.00 0.39 C ATOM 371 C6 C A 12 -4.063 -9.456 3.011 1.00 0.34 C ATOM 0 H5' C A 12 -8.257 -9.332 6.147 1.00 0.49 H new ATOM 0 H5'' C A 12 -7.875 -11.042 6.104 1.00 0.49 H new ATOM 0 H4' C A 12 -8.690 -9.769 3.987 1.00 0.39 H new ATOM 0 H3' C A 12 -6.522 -11.919 4.168 1.00 0.33 H new ATOM 0 H2' C A 12 -6.094 -11.674 1.802 1.00 0.44 H new ATOM 0 HO2' C A 12 -8.646 -11.772 1.658 1.00 0.68 H new ATOM 0 HO3' C A 12 -8.150 -13.145 3.219 1.00 0.47 H new ATOM 0 H1' C A 12 -6.954 -8.945 1.570 1.00 0.35 H new ATOM 0 H41 C A 12 -0.380 -8.988 1.789 1.00 0.47 H new ATOM 0 H42 C A 12 -0.816 -8.836 0.084 1.00 0.47 H new ATOM 0 H5 C A 12 -2.013 -9.332 3.526 1.00 0.39 H new ATOM 0 H6 C A 12 -4.384 -9.599 4.032 1.00 0.34 H new TER 384 C A 12