USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 132 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 8:sc= 0.409 USER MOD Single : A 1 G O5' : rot 26:sc= -1.02! USER MOD Single : A 2 G O2' : rot -121:sc= -1.4! USER MOD Single : A 3 U O2' : rot -145:sc= 0.543 USER MOD Single : A 4 G O2' : rot -10:sc= 0.274 USER MOD Single : A 5 U O2' : rot 85:sc= -0.708 USER MOD Single : A 6 G O2' : rot -96:sc= -5.96! USER MOD Single : A 7 A O2' : rot -137:sc= -3.24! USER MOD Single : A 8 A O2' : rot -59:sc= -2.82! USER MOD Single : A 9 C O2' : rot -93:sc= -3.76! USER MOD Single : A 10 A O2' : rot -122:sc= -2.56! USER MOD Single : A 11 C O2' : rot -104:sc= 0.792 USER MOD Single : A 12 C O2' : rot -0:sc= 0.41 USER MOD Single : A 12 C O3' : rot 180:sc= 0.328 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.532 -1.883 7.785 1.00 1.08 O ATOM 2 C5' G A 1 -4.621 -3.238 8.228 1.00 1.15 C ATOM 3 C4' G A 1 -6.065 -3.719 8.324 1.00 0.98 C ATOM 4 O4' G A 1 -6.916 -2.711 8.905 1.00 1.20 O ATOM 5 C3' G A 1 -6.607 -4.039 6.943 1.00 0.65 C ATOM 6 O3' G A 1 -7.080 -5.387 6.900 1.00 0.61 O ATOM 7 C2' G A 1 -7.701 -3.042 6.670 1.00 0.75 C ATOM 8 O2' G A 1 -8.962 -3.701 6.527 1.00 0.88 O ATOM 9 C1' G A 1 -7.709 -2.103 7.868 1.00 1.04 C ATOM 10 N9 G A 1 -7.160 -0.772 7.536 1.00 1.03 N ATOM 11 C8 G A 1 -6.266 -0.023 8.209 1.00 1.21 C ATOM 12 N7 G A 1 -5.955 1.144 7.788 1.00 1.20 N ATOM 13 C5 G A 1 -6.760 1.221 6.644 1.00 0.96 C ATOM 14 C6 G A 1 -6.894 2.272 5.703 1.00 0.84 C ATOM 15 O6 G A 1 -6.325 3.357 5.690 1.00 0.91 O ATOM 16 N1 G A 1 -7.801 1.951 4.706 1.00 0.68 N ATOM 17 C2 G A 1 -8.497 0.762 4.616 1.00 0.71 C ATOM 18 N2 G A 1 -9.319 0.637 3.582 1.00 0.76 N ATOM 19 N3 G A 1 -8.381 -0.238 5.495 1.00 0.78 N ATOM 20 C4 G A 1 -7.502 0.050 6.480 1.00 0.88 C ATOM 0 H5' G A 1 -4.143 -3.332 9.203 1.00 1.15 H new ATOM 0 H5'' G A 1 -4.071 -3.880 7.540 1.00 1.15 H new ATOM 0 H4' G A 1 -6.064 -4.608 8.954 1.00 0.98 H new ATOM 0 H3' G A 1 -5.837 -3.962 6.175 1.00 0.65 H new ATOM 0 H2' G A 1 -7.529 -2.500 5.740 1.00 0.75 H new ATOM 0 HO2' G A 1 -8.864 -4.648 6.759 1.00 0.88 H new ATOM 0 HO5' G A 1 -5.359 -1.409 8.013 1.00 1.08 H new ATOM 0 H1' G A 1 -8.738 -1.950 8.192 1.00 1.04 H new ATOM 0 H8 G A 1 -5.810 -0.409 9.108 1.00 1.21 H new ATOM 0 H1 G A 1 -7.968 2.649 3.981 1.00 0.68 H new ATOM 0 H21 G A 1 -9.861 -0.219 3.462 1.00 0.76 H new ATOM 0 H22 G A 1 -9.409 1.397 2.908 1.00 0.76 H new ATOM 33 P G A 2 -6.010 -6.585 6.764 1.00 0.58 P ATOM 34 OP1 G A 2 -6.752 -7.865 6.723 1.00 0.72 O ATOM 35 OP2 G A 2 -4.946 -6.380 7.772 1.00 0.72 O ATOM 36 O5' G A 2 -5.382 -6.311 5.306 1.00 0.51 O ATOM 37 C5' G A 2 -6.112 -6.694 4.143 1.00 0.50 C ATOM 38 C4' G A 2 -6.482 -5.508 3.254 1.00 0.39 C ATOM 39 O4' G A 2 -6.695 -4.275 3.987 1.00 0.37 O ATOM 40 C3' G A 2 -5.409 -5.193 2.232 1.00 0.41 C ATOM 41 O3' G A 2 -5.436 -6.080 1.084 1.00 0.49 O ATOM 42 C2' G A 2 -5.726 -3.770 1.867 1.00 0.38 C ATOM 43 O2' G A 2 -6.654 -3.663 0.783 1.00 0.36 O ATOM 44 C1' G A 2 -6.315 -3.173 3.118 1.00 0.37 C ATOM 45 N9 G A 2 -5.403 -2.174 3.725 1.00 0.43 N ATOM 46 C8 G A 2 -4.656 -2.192 4.845 1.00 0.56 C ATOM 47 N7 G A 2 -4.002 -1.142 5.199 1.00 0.59 N ATOM 48 C5 G A 2 -4.348 -0.265 4.159 1.00 0.46 C ATOM 49 C6 G A 2 -3.962 1.088 3.929 1.00 0.44 C ATOM 50 O6 G A 2 -3.232 1.804 4.610 1.00 0.52 O ATOM 51 N1 G A 2 -4.534 1.591 2.767 1.00 0.33 N ATOM 52 C2 G A 2 -5.372 0.885 1.927 1.00 0.28 C ATOM 53 N2 G A 2 -5.810 1.525 0.851 1.00 0.30 N ATOM 54 N3 G A 2 -5.740 -0.378 2.134 1.00 0.29 N ATOM 55 C4 G A 2 -5.200 -0.894 3.257 1.00 0.37 C ATOM 0 H5' G A 2 -7.022 -7.212 4.446 1.00 0.50 H new ATOM 0 H5'' G A 2 -5.519 -7.403 3.565 1.00 0.50 H new ATOM 0 H4' G A 2 -7.408 -5.833 2.779 1.00 0.39 H new ATOM 0 H3' G A 2 -4.399 -5.330 2.619 1.00 0.41 H new ATOM 0 H2' G A 2 -4.828 -3.255 1.525 1.00 0.38 H new ATOM 0 HO2' G A 2 -6.244 -3.158 0.050 1.00 0.36 H new ATOM 0 H1' G A 2 -7.213 -2.593 2.905 1.00 0.37 H new ATOM 0 H8 G A 2 -4.606 -3.088 5.446 1.00 0.56 H new ATOM 0 H1 G A 2 -4.318 2.556 2.515 1.00 0.33 H new ATOM 0 H21 G A 2 -6.432 1.053 0.195 1.00 0.30 H new ATOM 0 H22 G A 2 -5.525 2.489 0.680 1.00 0.30 H new ATOM 67 P U A 3 -6.815 -6.640 0.448 1.00 0.47 P ATOM 68 OP1 U A 3 -7.826 -6.782 1.517 1.00 0.67 O ATOM 69 OP2 U A 3 -6.483 -7.807 -0.398 1.00 0.68 O ATOM 70 O5' U A 3 -7.274 -5.433 -0.518 1.00 0.38 O ATOM 71 C5' U A 3 -7.437 -5.634 -1.925 1.00 0.44 C ATOM 72 C4' U A 3 -6.851 -4.504 -2.776 1.00 0.43 C ATOM 73 O4' U A 3 -6.847 -3.213 -2.103 1.00 0.42 O ATOM 74 C3' U A 3 -5.409 -4.742 -3.148 1.00 0.39 C ATOM 75 O3' U A 3 -5.238 -5.682 -4.224 1.00 0.44 O ATOM 76 C2' U A 3 -4.967 -3.372 -3.543 1.00 0.38 C ATOM 77 O2' U A 3 -5.296 -3.105 -4.911 1.00 0.43 O ATOM 78 C1' U A 3 -5.722 -2.440 -2.626 1.00 0.38 C ATOM 79 N1 U A 3 -4.807 -1.951 -1.570 1.00 0.35 N ATOM 80 C2 U A 3 -4.380 -0.629 -1.612 1.00 0.35 C ATOM 81 O2 U A 3 -4.778 0.166 -2.460 1.00 0.38 O ATOM 82 N3 U A 3 -3.463 -0.261 -0.637 1.00 0.34 N ATOM 83 C4 U A 3 -2.965 -1.081 0.348 1.00 0.34 C ATOM 84 O4 U A 3 -2.193 -0.652 1.181 1.00 0.36 O ATOM 85 C5 U A 3 -3.459 -2.418 0.307 1.00 0.34 C ATOM 86 C6 U A 3 -4.348 -2.803 -0.630 1.00 0.35 C ATOM 0 H5' U A 3 -8.499 -5.733 -2.149 1.00 0.44 H new ATOM 0 H5'' U A 3 -6.962 -6.574 -2.207 1.00 0.44 H new ATOM 0 H4' U A 3 -7.503 -4.494 -3.649 1.00 0.43 H new ATOM 0 H3' U A 3 -4.835 -5.190 -2.336 1.00 0.39 H new ATOM 0 H2' U A 3 -3.887 -3.252 -3.455 1.00 0.38 H new ATOM 0 HO2' U A 3 -4.593 -2.555 -5.315 1.00 0.43 H new ATOM 0 H1' U A 3 -6.101 -1.552 -3.131 1.00 0.38 H new ATOM 0 H3 U A 3 -3.129 0.703 -0.653 1.00 0.34 H new ATOM 0 H5 U A 3 -3.115 -3.134 1.039 1.00 0.34 H new ATOM 0 H6 U A 3 -4.703 -3.823 -0.628 1.00 0.35 H new ATOM 97 P G A 4 -3.959 -6.680 -4.256 1.00 0.41 P ATOM 98 OP1 G A 4 -4.187 -7.683 -5.322 1.00 0.41 O ATOM 99 OP2 G A 4 -3.697 -7.131 -2.870 1.00 0.51 O ATOM 100 O5' G A 4 -2.731 -5.728 -4.715 1.00 0.38 O ATOM 101 C5' G A 4 -2.707 -5.146 -6.027 1.00 0.42 C ATOM 102 C4' G A 4 -2.464 -3.636 -5.978 1.00 0.39 C ATOM 103 O4' G A 4 -2.956 -3.096 -4.745 1.00 0.39 O ATOM 104 C3' G A 4 -0.998 -3.260 -6.031 1.00 0.34 C ATOM 105 O3' G A 4 -0.540 -3.086 -7.378 1.00 0.37 O ATOM 106 C2' G A 4 -0.924 -1.970 -5.254 1.00 0.35 C ATOM 107 O2' G A 4 -1.032 -0.841 -6.129 1.00 0.41 O ATOM 108 C1' G A 4 -2.102 -2.034 -4.292 1.00 0.35 C ATOM 109 N9 G A 4 -1.615 -2.258 -2.927 1.00 0.33 N ATOM 110 C8 G A 4 -1.804 -3.277 -2.078 1.00 0.34 C ATOM 111 N7 G A 4 -1.236 -3.252 -0.921 1.00 0.33 N ATOM 112 C5 G A 4 -0.566 -2.017 -0.995 1.00 0.31 C ATOM 113 C6 G A 4 0.257 -1.349 -0.042 1.00 0.32 C ATOM 114 O6 G A 4 0.572 -1.713 1.089 1.00 0.35 O ATOM 115 N1 G A 4 0.710 -0.128 -0.533 1.00 0.32 N ATOM 116 C2 G A 4 0.415 0.385 -1.775 1.00 0.31 C ATOM 117 N2 G A 4 0.910 1.579 -2.048 1.00 0.33 N ATOM 118 N3 G A 4 -0.345 -0.229 -2.670 1.00 0.32 N ATOM 119 C4 G A 4 -0.803 -1.412 -2.223 1.00 0.31 C ATOM 0 H5' G A 4 -3.653 -5.345 -6.530 1.00 0.42 H new ATOM 0 H5'' G A 4 -1.925 -5.620 -6.620 1.00 0.42 H new ATOM 0 H4' G A 4 -2.978 -3.237 -6.853 1.00 0.39 H new ATOM 0 H3' G A 4 -0.358 -4.038 -5.615 1.00 0.34 H new ATOM 0 H2' G A 4 0.026 -1.854 -4.732 1.00 0.35 H new ATOM 0 HO2' G A 4 -0.976 -1.142 -7.060 1.00 0.41 H new ATOM 0 H1' G A 4 -2.664 -1.100 -4.274 1.00 0.35 H new ATOM 0 H8 G A 4 -2.427 -4.113 -2.361 1.00 0.34 H new ATOM 0 H1 G A 4 1.308 0.431 0.076 1.00 0.32 H new ATOM 0 H21 G A 4 0.726 2.013 -2.953 1.00 0.33 H new ATOM 0 H22 G A 4 1.476 2.067 -1.354 1.00 0.33 H new ATOM 131 P U A 5 0.723 -3.924 -7.920 1.00 0.42 P ATOM 132 OP1 U A 5 1.233 -3.256 -9.139 1.00 0.62 O ATOM 133 OP2 U A 5 0.346 -5.354 -7.965 1.00 0.58 O ATOM 134 O5' U A 5 1.808 -3.727 -6.746 1.00 0.37 O ATOM 135 C5' U A 5 2.447 -2.462 -6.547 1.00 0.39 C ATOM 136 C4' U A 5 3.039 -2.347 -5.146 1.00 0.38 C ATOM 137 O4' U A 5 2.009 -2.459 -4.140 1.00 0.39 O ATOM 138 C3' U A 5 4.051 -3.451 -4.886 1.00 0.37 C ATOM 139 O3' U A 5 5.394 -2.996 -5.113 1.00 0.46 O ATOM 140 C2' U A 5 3.831 -3.848 -3.452 1.00 0.40 C ATOM 141 O2' U A 5 4.795 -3.235 -2.593 1.00 0.49 O ATOM 142 C1' U A 5 2.428 -3.385 -3.112 1.00 0.43 C ATOM 143 N1 U A 5 1.521 -4.547 -3.042 1.00 0.47 N ATOM 144 C2 U A 5 1.089 -4.950 -1.793 1.00 0.61 C ATOM 145 O2 U A 5 1.418 -4.366 -0.765 1.00 0.70 O ATOM 146 N3 U A 5 0.272 -6.062 -1.765 1.00 0.70 N ATOM 147 C4 U A 5 -0.145 -6.797 -2.859 1.00 0.70 C ATOM 148 O4 U A 5 -0.868 -7.778 -2.715 1.00 0.84 O ATOM 149 C5 U A 5 0.353 -6.305 -4.123 1.00 0.59 C ATOM 150 C6 U A 5 1.154 -5.217 -4.176 1.00 0.48 C ATOM 0 H5' U A 5 1.726 -1.660 -6.705 1.00 0.39 H new ATOM 0 H5'' U A 5 3.236 -2.331 -7.288 1.00 0.39 H new ATOM 0 H4' U A 5 3.522 -1.372 -5.090 1.00 0.38 H new ATOM 0 H3' U A 5 3.918 -4.295 -5.562 1.00 0.37 H new ATOM 0 H2' U A 5 3.944 -4.923 -3.314 1.00 0.40 H new ATOM 0 HO2' U A 5 4.492 -2.335 -2.351 1.00 0.49 H new ATOM 0 H1' U A 5 2.405 -2.890 -2.141 1.00 0.43 H new ATOM 0 H3 U A 5 -0.055 -6.371 -0.850 1.00 0.70 H new ATOM 0 H5 U A 5 0.082 -6.813 -5.037 1.00 0.59 H new ATOM 0 H6 U A 5 1.511 -4.870 -5.134 1.00 0.48 H new ATOM 161 P G A 6 6.164 -3.327 -6.494 1.00 0.55 P ATOM 162 OP1 G A 6 6.814 -2.081 -6.964 1.00 0.71 O ATOM 163 OP2 G A 6 5.228 -4.045 -7.390 1.00 0.58 O ATOM 164 O5' G A 6 7.327 -4.356 -6.039 1.00 0.54 O ATOM 165 C5' G A 6 8.307 -3.947 -5.080 1.00 0.50 C ATOM 166 C4' G A 6 7.976 -4.445 -3.671 1.00 0.39 C ATOM 167 O4' G A 6 6.554 -4.569 -3.488 1.00 0.35 O ATOM 168 C3' G A 6 8.573 -5.804 -3.365 1.00 0.44 C ATOM 169 O3' G A 6 9.899 -5.628 -2.808 1.00 0.48 O ATOM 170 C2' G A 6 7.574 -6.439 -2.412 1.00 0.44 C ATOM 171 O2' G A 6 7.955 -6.283 -1.047 1.00 0.47 O ATOM 172 C1' G A 6 6.273 -5.723 -2.667 1.00 0.40 C ATOM 173 N9 G A 6 5.318 -6.652 -3.303 1.00 0.48 N ATOM 174 C8 G A 6 4.410 -7.445 -2.726 1.00 0.62 C ATOM 175 N7 G A 6 3.676 -8.218 -3.437 1.00 0.73 N ATOM 176 C5 G A 6 4.162 -7.915 -4.716 1.00 0.68 C ATOM 177 C6 G A 6 3.778 -8.433 -5.981 1.00 0.82 C ATOM 178 O6 G A 6 2.918 -9.270 -6.236 1.00 0.96 O ATOM 179 N1 G A 6 4.518 -7.866 -7.007 1.00 0.81 N ATOM 180 C2 G A 6 5.505 -6.919 -6.845 1.00 0.71 C ATOM 181 N2 G A 6 6.114 -6.509 -7.953 1.00 0.83 N ATOM 182 N3 G A 6 5.874 -6.422 -5.664 1.00 0.57 N ATOM 183 C4 G A 6 5.172 -6.954 -4.644 1.00 0.54 C ATOM 0 H5' G A 6 8.375 -2.859 -5.073 1.00 0.50 H new ATOM 0 H5'' G A 6 9.285 -4.326 -5.378 1.00 0.50 H new ATOM 0 H4' G A 6 8.404 -3.700 -3.001 1.00 0.39 H new ATOM 0 H3' G A 6 8.719 -6.447 -4.233 1.00 0.44 H new ATOM 0 H2' G A 6 7.508 -7.513 -2.585 1.00 0.44 H new ATOM 0 HO2' G A 6 8.430 -7.086 -0.746 1.00 0.47 H new ATOM 0 H1' G A 6 5.813 -5.382 -1.739 1.00 0.40 H new ATOM 0 H8 G A 6 4.294 -7.434 -1.652 1.00 0.62 H new ATOM 0 H1 G A 6 4.315 -8.175 -7.958 1.00 0.81 H new ATOM 0 H21 G A 6 6.854 -5.809 -7.899 1.00 0.83 H new ATOM 0 H22 G A 6 5.841 -6.895 -8.857 1.00 0.83 H new ATOM 195 P A A 7 10.623 -6.678 -1.812 1.00 0.54 P ATOM 196 OP1 A A 7 11.942 -7.018 -2.389 1.00 0.59 O ATOM 197 OP2 A A 7 9.675 -7.765 -1.466 1.00 0.64 O ATOM 198 O5' A A 7 10.873 -5.780 -0.491 1.00 0.52 O ATOM 199 C5' A A 7 9.795 -5.092 0.167 1.00 0.48 C ATOM 200 C4' A A 7 10.276 -3.834 0.885 1.00 0.50 C ATOM 201 O4' A A 7 10.535 -2.772 -0.060 1.00 0.46 O ATOM 202 C3' A A 7 9.217 -3.305 1.837 1.00 0.50 C ATOM 203 O3' A A 7 9.791 -2.712 3.023 1.00 0.60 O ATOM 204 C2' A A 7 8.463 -2.308 1.017 1.00 0.40 C ATOM 205 O2' A A 7 7.952 -1.272 1.844 1.00 0.43 O ATOM 206 C1' A A 7 9.497 -1.766 0.055 1.00 0.38 C ATOM 207 N9 A A 7 8.926 -1.468 -1.271 1.00 0.34 N ATOM 208 C8 A A 7 7.796 -1.896 -1.867 1.00 0.32 C ATOM 209 N7 A A 7 7.524 -1.513 -3.063 1.00 0.40 N ATOM 210 C5 A A 7 8.637 -0.700 -3.324 1.00 0.47 C ATOM 211 C6 A A 7 9.025 0.053 -4.437 1.00 0.63 C ATOM 212 N6 A A 7 8.311 0.117 -5.558 1.00 0.73 N ATOM 213 N1 A A 7 10.185 0.732 -4.353 1.00 0.71 N ATOM 214 C2 A A 7 10.922 0.675 -3.239 1.00 0.66 C ATOM 215 N3 A A 7 10.652 -0.001 -2.131 1.00 0.54 N ATOM 216 C4 A A 7 9.491 -0.671 -2.237 1.00 0.44 C ATOM 0 H5' A A 7 9.322 -5.762 0.885 1.00 0.48 H new ATOM 0 H5'' A A 7 9.035 -4.823 -0.566 1.00 0.48 H new ATOM 0 H4' A A 7 11.180 -4.115 1.425 1.00 0.50 H new ATOM 0 H3' A A 7 8.576 -4.098 2.222 1.00 0.50 H new ATOM 0 H2' A A 7 7.605 -2.744 0.505 1.00 0.40 H new ATOM 0 HO2' A A 7 7.034 -1.061 1.574 1.00 0.43 H new ATOM 0 H1' A A 7 9.891 -0.823 0.435 1.00 0.38 H new ATOM 0 H8 A A 7 7.122 -2.557 -1.342 1.00 0.32 H new ATOM 0 H61 A A 7 8.640 0.682 -6.341 1.00 0.73 H new ATOM 0 H62 A A 7 7.434 -0.399 -5.634 1.00 0.73 H new ATOM 0 H2 A A 7 11.840 1.243 -3.242 1.00 0.66 H new ATOM 228 P A A 8 10.919 -1.551 2.976 1.00 0.63 P ATOM 229 OP1 A A 8 11.990 -1.966 2.044 1.00 0.77 O ATOM 230 OP2 A A 8 11.265 -1.198 4.371 1.00 0.66 O ATOM 231 O5' A A 8 10.135 -0.295 2.328 1.00 0.52 O ATOM 232 C5' A A 8 10.868 0.804 1.766 1.00 0.52 C ATOM 233 C4' A A 8 10.015 2.066 1.633 1.00 0.45 C ATOM 234 O4' A A 8 8.807 1.835 0.852 1.00 0.37 O ATOM 235 C3' A A 8 9.566 2.577 2.987 1.00 0.48 C ATOM 236 O3' A A 8 9.625 4.016 3.009 1.00 0.51 O ATOM 237 C2' A A 8 8.164 2.039 3.128 1.00 0.44 C ATOM 238 O2' A A 8 7.326 2.844 3.960 1.00 0.49 O ATOM 239 C1' A A 8 7.643 1.978 1.708 1.00 0.36 C ATOM 240 N9 A A 8 6.678 0.871 1.562 1.00 0.36 N ATOM 241 C8 A A 8 6.084 0.142 2.516 1.00 0.43 C ATOM 242 N7 A A 8 5.234 -0.762 2.203 1.00 0.47 N ATOM 243 C5 A A 8 5.243 -0.635 0.809 1.00 0.41 C ATOM 244 C6 A A 8 4.551 -1.303 -0.204 1.00 0.46 C ATOM 245 N6 A A 8 3.675 -2.276 0.033 1.00 0.56 N ATOM 246 N1 A A 8 4.797 -0.929 -1.468 1.00 0.46 N ATOM 247 C2 A A 8 5.671 0.042 -1.731 1.00 0.41 C ATOM 248 N3 A A 8 6.383 0.748 -0.855 1.00 0.35 N ATOM 249 C4 A A 8 6.123 0.360 0.407 1.00 0.35 C ATOM 0 H5' A A 8 11.247 0.520 0.784 1.00 0.52 H new ATOM 0 H5'' A A 8 11.734 1.018 2.393 1.00 0.52 H new ATOM 0 H4' A A 8 10.654 2.794 1.133 1.00 0.45 H new ATOM 0 H3' A A 8 10.193 2.254 3.818 1.00 0.48 H new ATOM 0 H2' A A 8 8.165 1.068 3.624 1.00 0.44 H new ATOM 0 HO2' A A 8 7.717 2.906 4.856 1.00 0.49 H new ATOM 0 H1' A A 8 7.095 2.878 1.430 1.00 0.36 H new ATOM 0 H8 A A 8 6.324 0.318 3.554 1.00 0.43 H new ATOM 0 H61 A A 8 3.196 -2.732 -0.744 1.00 0.56 H new ATOM 0 H62 A A 8 3.482 -2.566 0.992 1.00 0.56 H new ATOM 0 H2 A A 8 5.819 0.284 -2.773 1.00 0.41 H new ATOM 261 P C A 9 8.981 4.891 4.203 1.00 0.56 P ATOM 262 OP1 C A 9 9.739 6.158 4.311 1.00 0.63 O ATOM 263 OP2 C A 9 8.820 4.021 5.392 1.00 0.64 O ATOM 264 O5' C A 9 7.518 5.223 3.609 1.00 0.50 O ATOM 265 C5' C A 9 7.404 5.893 2.354 1.00 0.48 C ATOM 266 C4' C A 9 6.060 5.659 1.662 1.00 0.40 C ATOM 267 O4' C A 9 5.855 4.299 1.224 1.00 0.39 O ATOM 268 C3' C A 9 4.884 5.948 2.559 1.00 0.39 C ATOM 269 O3' C A 9 4.625 7.356 2.715 1.00 0.43 O ATOM 270 C2' C A 9 3.761 5.258 1.848 1.00 0.35 C ATOM 271 O2' C A 9 3.126 6.146 0.922 1.00 0.34 O ATOM 272 C1' C A 9 4.418 4.108 1.104 1.00 0.35 C ATOM 273 N1 C A 9 3.944 2.826 1.670 1.00 0.36 N ATOM 274 C2 C A 9 3.113 2.049 0.872 1.00 0.35 C ATOM 275 O2 C A 9 2.868 2.390 -0.282 1.00 0.35 O ATOM 276 N3 C A 9 2.576 0.920 1.402 1.00 0.36 N ATOM 277 C4 C A 9 2.840 0.561 2.662 1.00 0.39 C ATOM 278 N4 C A 9 2.293 -0.552 3.144 1.00 0.42 N ATOM 279 C5 C A 9 3.700 1.352 3.491 1.00 0.41 C ATOM 280 C6 C A 9 4.230 2.470 2.956 1.00 0.39 C ATOM 0 H5' C A 9 8.206 5.557 1.697 1.00 0.48 H new ATOM 0 H5'' C A 9 7.544 6.963 2.507 1.00 0.48 H new ATOM 0 H4' C A 9 6.110 6.341 0.813 1.00 0.40 H new ATOM 0 H3' C A 9 5.043 5.603 3.581 1.00 0.39 H new ATOM 0 H2' C A 9 2.989 4.920 2.539 1.00 0.35 H new ATOM 0 HO2' C A 9 2.370 6.589 1.360 1.00 0.34 H new ATOM 0 H1' C A 9 4.158 4.084 0.046 1.00 0.35 H new ATOM 0 H41 C A 9 2.484 -0.840 4.104 1.00 0.42 H new ATOM 0 H42 C A 9 1.682 -1.117 2.554 1.00 0.42 H new ATOM 0 H5 C A 9 3.916 1.063 4.509 1.00 0.41 H new ATOM 0 H6 C A 9 4.886 3.089 3.550 1.00 0.39 H new ATOM 292 P A A 10 3.307 7.876 3.498 1.00 0.47 P ATOM 293 OP1 A A 10 3.475 9.321 3.776 1.00 0.56 O ATOM 294 OP2 A A 10 3.033 6.942 4.614 1.00 0.55 O ATOM 295 O5' A A 10 2.127 7.700 2.398 1.00 0.40 O ATOM 296 C5' A A 10 1.564 8.847 1.739 1.00 0.40 C ATOM 297 C4' A A 10 0.745 8.482 0.495 1.00 0.38 C ATOM 298 O4' A A 10 1.303 7.348 -0.206 1.00 0.40 O ATOM 299 C3' A A 10 -0.674 8.081 0.829 1.00 0.34 C ATOM 300 O3' A A 10 -1.550 9.200 1.100 1.00 0.34 O ATOM 301 C2' A A 10 -1.069 7.197 -0.315 1.00 0.35 C ATOM 302 O2' A A 10 -1.484 7.949 -1.455 1.00 0.39 O ATOM 303 C1' A A 10 0.218 6.470 -0.624 1.00 0.38 C ATOM 304 N9 A A 10 0.253 5.244 0.182 1.00 0.36 N ATOM 305 C8 A A 10 0.898 5.008 1.333 1.00 0.37 C ATOM 306 N7 A A 10 0.755 3.894 1.935 1.00 0.37 N ATOM 307 C5 A A 10 -0.134 3.260 1.063 1.00 0.35 C ATOM 308 C6 A A 10 -0.727 2.010 1.094 1.00 0.34 C ATOM 309 N6 A A 10 -0.481 1.139 2.071 1.00 0.36 N ATOM 310 N1 A A 10 -1.563 1.689 0.082 1.00 0.34 N ATOM 311 C2 A A 10 -1.789 2.567 -0.906 1.00 0.34 C ATOM 312 N3 A A 10 -1.273 3.787 -1.034 1.00 0.35 N ATOM 313 C4 A A 10 -0.448 4.075 -0.011 1.00 0.35 C ATOM 0 H5' A A 10 2.368 9.525 1.452 1.00 0.40 H new ATOM 0 H5'' A A 10 0.928 9.386 2.441 1.00 0.40 H new ATOM 0 H4' A A 10 0.765 9.386 -0.114 1.00 0.38 H new ATOM 0 H3' A A 10 -0.757 7.548 1.776 1.00 0.34 H new ATOM 0 H2' A A 10 -1.911 6.549 -0.070 1.00 0.35 H new ATOM 0 HO2' A A 10 -2.399 7.696 -1.699 1.00 0.39 H new ATOM 0 H1' A A 10 0.303 6.217 -1.681 1.00 0.38 H new ATOM 0 H8 A A 10 1.543 5.766 1.753 1.00 0.37 H new ATOM 0 H61 A A 10 -0.934 0.225 2.066 1.00 0.36 H new ATOM 0 H62 A A 10 0.160 1.386 2.825 1.00 0.36 H new ATOM 0 H2 A A 10 -2.466 2.248 -1.685 1.00 0.34 H new ATOM 325 P C A 11 -1.799 10.457 0.122 1.00 0.38 P ATOM 326 OP1 C A 11 -1.081 10.243 -1.154 1.00 0.43 O ATOM 327 OP2 C A 11 -1.548 11.691 0.900 1.00 0.41 O ATOM 328 O5' C A 11 -3.390 10.352 -0.142 1.00 0.39 O ATOM 329 C5' C A 11 -3.912 10.108 -1.447 1.00 0.43 C ATOM 330 C4' C A 11 -4.491 8.701 -1.578 1.00 0.37 C ATOM 331 O4' C A 11 -3.594 7.699 -1.072 1.00 0.35 O ATOM 332 C3' C A 11 -5.778 8.517 -0.803 1.00 0.33 C ATOM 333 O3' C A 11 -6.906 9.003 -1.542 1.00 0.43 O ATOM 334 C2' C A 11 -5.831 7.024 -0.609 1.00 0.31 C ATOM 335 O2' C A 11 -6.507 6.381 -1.699 1.00 0.43 O ATOM 336 C1' C A 11 -4.368 6.607 -0.538 1.00 0.28 C ATOM 337 N1 C A 11 -3.972 6.202 0.831 1.00 0.22 N ATOM 338 C2 C A 11 -4.200 4.873 1.160 1.00 0.22 C ATOM 339 O2 C A 11 -4.778 4.135 0.367 1.00 0.25 O ATOM 340 N3 C A 11 -3.777 4.417 2.363 1.00 0.26 N ATOM 341 C4 C A 11 -3.154 5.227 3.219 1.00 0.29 C ATOM 342 N4 C A 11 -2.723 4.726 4.373 1.00 0.39 N ATOM 343 C5 C A 11 -2.921 6.606 2.898 1.00 0.26 C ATOM 344 C6 C A 11 -3.348 7.051 1.695 1.00 0.22 C ATOM 0 H5' C A 11 -3.122 10.245 -2.185 1.00 0.43 H new ATOM 0 H5'' C A 11 -4.687 10.841 -1.670 1.00 0.43 H new ATOM 0 H4' C A 11 -4.663 8.586 -2.648 1.00 0.37 H new ATOM 0 H3' C A 11 -5.807 9.071 0.135 1.00 0.33 H new ATOM 0 H2' C A 11 -6.387 6.739 0.284 1.00 0.31 H new ATOM 0 HO2' C A 11 -7.409 6.122 -1.417 1.00 0.43 H new ATOM 0 H1' C A 11 -4.184 5.714 -1.135 1.00 0.28 H new ATOM 0 H41 C A 11 -2.244 5.328 5.043 1.00 0.39 H new ATOM 0 H42 C A 11 -2.872 3.740 4.588 1.00 0.39 H new ATOM 0 H5 C A 11 -2.422 7.265 3.593 1.00 0.26 H new ATOM 0 H6 C A 11 -3.194 8.083 1.418 1.00 0.22 H new ATOM 356 P C A 12 -8.151 9.694 -0.789 1.00 0.49 P ATOM 357 OP1 C A 12 -8.756 10.686 -1.704 1.00 0.52 O ATOM 358 OP2 C A 12 -7.707 10.107 0.561 1.00 0.56 O ATOM 359 O5' C A 12 -9.179 8.467 -0.620 1.00 0.71 O ATOM 360 C5' C A 12 -9.690 7.778 -1.765 1.00 0.89 C ATOM 361 C4' C A 12 -10.201 6.391 -1.390 1.00 1.00 C ATOM 362 O4' C A 12 -9.145 5.595 -0.816 1.00 0.81 O ATOM 363 C3' C A 12 -11.324 6.487 -0.368 1.00 1.14 C ATOM 364 O3' C A 12 -12.600 6.245 -0.977 1.00 1.44 O ATOM 365 C2' C A 12 -11.017 5.452 0.684 1.00 1.05 C ATOM 366 O2' C A 12 -11.954 4.374 0.615 1.00 1.24 O ATOM 367 C1' C A 12 -9.604 4.962 0.397 1.00 0.82 C ATOM 368 N1 C A 12 -8.699 5.269 1.523 1.00 0.63 N ATOM 369 C2 C A 12 -8.412 4.242 2.410 1.00 0.59 C ATOM 370 O2 C A 12 -8.926 3.136 2.265 1.00 0.66 O ATOM 371 N3 C A 12 -7.560 4.495 3.439 1.00 0.57 N ATOM 372 C4 C A 12 -7.010 5.707 3.592 1.00 0.57 C ATOM 373 N4 C A 12 -6.173 5.920 4.605 1.00 0.71 N ATOM 374 C5 C A 12 -7.304 6.770 2.682 1.00 0.52 C ATOM 375 C6 C A 12 -8.149 6.509 1.668 1.00 0.57 C ATOM 0 H5' C A 12 -8.907 7.689 -2.519 1.00 0.89 H new ATOM 0 H5'' C A 12 -10.498 8.358 -2.211 1.00 0.89 H new ATOM 0 H4' C A 12 -10.567 5.924 -2.305 1.00 1.00 H new ATOM 0 H3' C A 12 -11.381 7.486 0.065 1.00 1.14 H new ATOM 0 H2' C A 12 -11.091 5.870 1.688 1.00 1.05 H new ATOM 0 HO2' C A 12 -12.598 4.546 -0.103 1.00 1.24 H new ATOM 0 HO3' C A 12 -13.304 6.311 -0.299 1.00 1.44 H new ATOM 0 H1' C A 12 -9.607 3.879 0.274 1.00 0.82 H new ATOM 0 H41 C A 12 -5.748 6.839 4.731 1.00 0.71 H new ATOM 0 H42 C A 12 -5.956 5.164 5.255 1.00 0.71 H new ATOM 0 H5 C A 12 -6.863 7.748 2.804 1.00 0.52 H new ATOM 0 H6 C A 12 -8.394 7.289 0.962 1.00 0.57 H new TER 388 C A 12