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 1:sc= 0.446 USER MOD Single : A 1 G O5' : rot -60:sc= -1.61! USER MOD Single : A 2 G O2' : rot -148:sc= 0.206 USER MOD Single : A 3 U O2' : rot -17:sc= 0.237 USER MOD Single : A 4 G O2' : rot -10:sc= 0.31 USER MOD Single : A 5 U O2' : rot -46:sc= 0.504 USER MOD Single : A 6 G O2' : rot -58:sc= -4.22! USER MOD Single : A 7 A O2' : rot -148:sc= -2.07! USER MOD Single : A 8 A O2' : rot -59:sc= -3.66! USER MOD Single : A 9 C O2' : rot -164:sc= -2.65! USER MOD Single : A 10 A O2' : rot -23:sc= 0.194 USER MOD Single : A 11 C O2' : rot -46:sc= 0.18 USER MOD Single : A 12 C O2' : rot -7:sc= 0.443 USER MOD Single : A 12 C O3' : rot 180:sc= 0.306 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.785 -2.294 7.252 1.00 0.54 O ATOM 2 C5' G A 1 -4.059 -3.650 7.611 1.00 0.57 C ATOM 3 C4' G A 1 -5.482 -3.833 8.144 1.00 0.56 C ATOM 4 O4' G A 1 -5.906 -2.694 8.919 1.00 0.58 O ATOM 5 C3' G A 1 -6.461 -3.995 6.994 1.00 0.48 C ATOM 6 O3' G A 1 -7.246 -5.171 7.184 1.00 0.52 O ATOM 7 C2' G A 1 -7.306 -2.750 6.974 1.00 0.47 C ATOM 8 O2' G A 1 -8.690 -3.073 7.150 1.00 0.54 O ATOM 9 C1' G A 1 -6.800 -1.894 8.123 1.00 0.52 C ATOM 10 N9 G A 1 -6.102 -0.683 7.652 1.00 0.48 N ATOM 11 C8 G A 1 -4.966 -0.119 8.107 1.00 0.51 C ATOM 12 N7 G A 1 -4.574 1.006 7.641 1.00 0.49 N ATOM 13 C5 G A 1 -5.597 1.264 6.718 1.00 0.41 C ATOM 14 C6 G A 1 -5.770 2.366 5.848 1.00 0.37 C ATOM 15 O6 G A 1 -5.055 3.352 5.722 1.00 0.39 O ATOM 16 N1 G A 1 -6.917 2.235 5.082 1.00 0.33 N ATOM 17 C2 G A 1 -7.799 1.178 5.142 1.00 0.35 C ATOM 18 N2 G A 1 -8.833 1.230 4.310 1.00 0.37 N ATOM 19 N3 G A 1 -7.652 0.133 5.960 1.00 0.39 N ATOM 20 C4 G A 1 -6.537 0.233 6.718 1.00 0.41 C ATOM 0 H5' G A 1 -3.345 -3.974 8.368 1.00 0.57 H new ATOM 0 H5'' G A 1 -3.914 -4.290 6.741 1.00 0.57 H new ATOM 0 H4' G A 1 -5.472 -4.723 8.773 1.00 0.56 H new ATOM 0 H3' G A 1 -5.952 -4.115 6.038 1.00 0.48 H new ATOM 0 H2' G A 1 -7.229 -2.227 6.021 1.00 0.47 H new ATOM 0 HO2' G A 1 -8.788 -4.042 7.262 1.00 0.54 H new ATOM 0 HO5' G A 1 -4.408 -2.009 6.552 1.00 0.54 H new ATOM 0 H1' G A 1 -7.655 -1.559 8.710 1.00 0.52 H new ATOM 0 H8 G A 1 -4.384 -0.618 8.868 1.00 0.51 H new ATOM 0 H1 G A 1 -7.126 2.982 4.420 1.00 0.33 H new ATOM 0 H21 G A 1 -9.522 0.478 4.305 1.00 0.37 H new ATOM 0 H22 G A 1 -8.938 2.022 3.676 1.00 0.37 H new ATOM 33 P G A 2 -6.573 -6.606 6.914 1.00 0.54 P ATOM 34 OP1 G A 2 -7.637 -7.633 6.959 1.00 0.65 O ATOM 35 OP2 G A 2 -5.382 -6.735 7.783 1.00 0.58 O ATOM 36 O5' G A 2 -6.074 -6.455 5.390 1.00 0.46 O ATOM 37 C5' G A 2 -6.983 -6.714 4.323 1.00 0.39 C ATOM 38 C4' G A 2 -7.033 -5.594 3.286 1.00 0.31 C ATOM 39 O4' G A 2 -7.138 -4.268 3.860 1.00 0.31 O ATOM 40 C3' G A 2 -5.802 -5.550 2.408 1.00 0.30 C ATOM 41 O3' G A 2 -5.829 -6.578 1.406 1.00 0.30 O ATOM 42 C2' G A 2 -5.898 -4.171 1.817 1.00 0.25 C ATOM 43 O2' G A 2 -6.698 -4.167 0.629 1.00 0.23 O ATOM 44 C1' G A 2 -6.539 -3.338 2.914 1.00 0.26 C ATOM 45 N9 G A 2 -5.560 -2.400 3.501 1.00 0.28 N ATOM 46 C8 G A 2 -4.677 -2.532 4.505 1.00 0.34 C ATOM 47 N7 G A 2 -3.885 -1.561 4.797 1.00 0.35 N ATOM 48 C5 G A 2 -4.286 -0.613 3.842 1.00 0.28 C ATOM 49 C6 G A 2 -3.810 0.709 3.598 1.00 0.27 C ATOM 50 O6 G A 2 -2.920 1.325 4.182 1.00 0.31 O ATOM 51 N1 G A 2 -4.492 1.308 2.543 1.00 0.21 N ATOM 52 C2 G A 2 -5.500 0.717 1.812 1.00 0.20 C ATOM 53 N2 G A 2 -6.030 1.439 0.834 1.00 0.22 N ATOM 54 N3 G A 2 -5.952 -0.515 2.031 1.00 0.20 N ATOM 55 C4 G A 2 -5.310 -1.123 3.051 1.00 0.24 C ATOM 0 H5' G A 2 -7.981 -6.864 4.734 1.00 0.39 H new ATOM 0 H5'' G A 2 -6.698 -7.644 3.830 1.00 0.39 H new ATOM 0 H4' G A 2 -7.928 -5.838 2.714 1.00 0.31 H new ATOM 0 H3' G A 2 -4.868 -5.729 2.940 1.00 0.30 H new ATOM 0 H2' G A 2 -4.926 -3.783 1.514 1.00 0.25 H new ATOM 0 HO2' G A 2 -6.361 -3.486 0.010 1.00 0.23 H new ATOM 0 H1' G A 2 -7.328 -2.690 2.533 1.00 0.26 H new ATOM 0 H8 G A 2 -4.632 -3.453 5.067 1.00 0.34 H new ATOM 0 H1 G A 2 -4.225 2.260 2.291 1.00 0.21 H new ATOM 0 H21 G A 2 -6.779 1.050 0.262 1.00 0.22 H new ATOM 0 H22 G A 2 -5.688 2.383 0.654 1.00 0.22 H new ATOM 67 P U A 3 -4.676 -6.677 0.282 1.00 0.34 P ATOM 68 OP1 U A 3 -4.723 -8.032 -0.312 1.00 0.42 O ATOM 69 OP2 U A 3 -3.410 -6.167 0.857 1.00 0.40 O ATOM 70 O5' U A 3 -5.188 -5.619 -0.819 1.00 0.29 O ATOM 71 C5' U A 3 -6.298 -5.925 -1.670 1.00 0.28 C ATOM 72 C4' U A 3 -6.399 -4.937 -2.826 1.00 0.26 C ATOM 73 O4' U A 3 -6.708 -3.596 -2.357 1.00 0.26 O ATOM 74 C3' U A 3 -5.077 -4.841 -3.563 1.00 0.26 C ATOM 75 O3' U A 3 -4.987 -5.754 -4.668 1.00 0.28 O ATOM 76 C2' U A 3 -5.024 -3.415 -4.010 1.00 0.26 C ATOM 77 O2' U A 3 -5.638 -3.257 -5.295 1.00 0.29 O ATOM 78 C1' U A 3 -5.777 -2.653 -2.952 1.00 0.25 C ATOM 79 N1 U A 3 -4.857 -2.099 -1.929 1.00 0.25 N ATOM 80 C2 U A 3 -4.402 -0.795 -2.069 1.00 0.26 C ATOM 81 O2 U A 3 -4.698 -0.093 -3.031 1.00 0.29 O ATOM 82 N3 U A 3 -3.583 -0.329 -1.049 1.00 0.26 N ATOM 83 C4 U A 3 -3.201 -1.038 0.069 1.00 0.26 C ATOM 84 O4 U A 3 -2.501 -0.524 0.925 1.00 0.28 O ATOM 85 C5 U A 3 -3.712 -2.376 0.119 1.00 0.26 C ATOM 86 C6 U A 3 -4.504 -2.853 -0.862 1.00 0.26 C ATOM 0 H5' U A 3 -7.220 -5.904 -1.090 1.00 0.28 H new ATOM 0 H5'' U A 3 -6.191 -6.936 -2.062 1.00 0.28 H new ATOM 0 H4' U A 3 -7.192 -5.306 -3.477 1.00 0.26 H new ATOM 0 H3' U A 3 -4.235 -5.118 -2.929 1.00 0.26 H new ATOM 0 H2' U A 3 -4.001 -3.057 -4.121 1.00 0.26 H new ATOM 0 HO2' U A 3 -5.711 -4.131 -5.732 1.00 0.29 H new ATOM 0 H1' U A 3 -6.300 -1.800 -3.385 1.00 0.25 H new ATOM 0 H3 U A 3 -3.232 0.625 -1.135 1.00 0.26 H new ATOM 0 H5 U A 3 -3.459 -3.011 0.955 1.00 0.26 H new ATOM 0 H6 U A 3 -4.868 -3.868 -0.794 1.00 0.26 H new ATOM 97 P G A 4 -3.833 -6.891 -4.702 1.00 0.29 P ATOM 98 OP1 G A 4 -4.155 -7.835 -5.796 1.00 0.36 O ATOM 99 OP2 G A 4 -3.651 -7.398 -3.324 1.00 0.32 O ATOM 100 O5' G A 4 -2.503 -6.068 -5.120 1.00 0.26 O ATOM 101 C5' G A 4 -2.449 -5.368 -6.369 1.00 0.25 C ATOM 102 C4' G A 4 -2.254 -3.864 -6.172 1.00 0.25 C ATOM 103 O4' G A 4 -2.796 -3.437 -4.915 1.00 0.28 O ATOM 104 C3' G A 4 -0.798 -3.452 -6.135 1.00 0.23 C ATOM 105 O3' G A 4 -0.270 -3.215 -7.443 1.00 0.25 O ATOM 106 C2' G A 4 -0.802 -2.191 -5.309 1.00 0.28 C ATOM 107 O2' G A 4 -0.861 -1.031 -6.149 1.00 0.35 O ATOM 108 C1' G A 4 -2.046 -2.303 -4.437 1.00 0.27 C ATOM 109 N9 G A 4 -1.659 -2.440 -3.030 1.00 0.27 N ATOM 110 C8 G A 4 -1.937 -3.388 -2.124 1.00 0.27 C ATOM 111 N7 G A 4 -1.455 -3.285 -0.931 1.00 0.29 N ATOM 112 C5 G A 4 -0.750 -2.071 -1.047 1.00 0.28 C ATOM 113 C6 G A 4 0.017 -1.344 -0.088 1.00 0.30 C ATOM 114 O6 G A 4 0.245 -1.624 1.087 1.00 0.33 O ATOM 115 N1 G A 4 0.532 -0.174 -0.639 1.00 0.30 N ATOM 116 C2 G A 4 0.340 0.242 -1.938 1.00 0.29 C ATOM 117 N2 G A 4 0.878 1.399 -2.271 1.00 0.31 N ATOM 118 N3 G A 4 -0.365 -0.428 -2.834 1.00 0.28 N ATOM 119 C4 G A 4 -0.881 -1.561 -2.333 1.00 0.27 C ATOM 0 H5' G A 4 -3.370 -5.545 -6.924 1.00 0.25 H new ATOM 0 H5'' G A 4 -1.632 -5.764 -6.972 1.00 0.25 H new ATOM 0 H4' G A 4 -2.758 -3.408 -7.024 1.00 0.25 H new ATOM 0 H3' G A 4 -0.162 -4.232 -5.717 1.00 0.23 H new ATOM 0 H2' G A 4 0.105 -2.084 -4.714 1.00 0.28 H new ATOM 0 HO2' G A 4 -0.725 -1.296 -7.083 1.00 0.35 H new ATOM 0 H1' G A 4 -2.667 -1.409 -4.499 1.00 0.27 H new ATOM 0 H8 G A 4 -2.559 -4.230 -2.390 1.00 0.27 H new ATOM 0 H1 G A 4 1.096 0.422 -0.033 1.00 0.30 H new ATOM 0 H21 G A 4 0.769 1.758 -3.219 1.00 0.31 H new ATOM 0 H22 G A 4 1.403 1.935 -1.580 1.00 0.31 H new ATOM 131 P U A 5 1.238 -3.661 -7.802 1.00 0.26 P ATOM 132 OP1 U A 5 1.808 -2.656 -8.728 1.00 0.41 O ATOM 133 OP2 U A 5 1.218 -5.089 -8.192 1.00 0.43 O ATOM 134 O5' U A 5 1.998 -3.537 -6.386 1.00 0.25 O ATOM 135 C5' U A 5 2.559 -2.291 -5.957 1.00 0.30 C ATOM 136 C4' U A 5 3.070 -2.371 -4.521 1.00 0.29 C ATOM 137 O4' U A 5 1.986 -2.627 -3.598 1.00 0.29 O ATOM 138 C3' U A 5 4.076 -3.499 -4.367 1.00 0.29 C ATOM 139 O3' U A 5 5.422 -3.010 -4.445 1.00 0.36 O ATOM 140 C2' U A 5 3.775 -4.109 -3.026 1.00 0.30 C ATOM 141 O2' U A 5 4.673 -3.622 -2.025 1.00 0.37 O ATOM 142 C1' U A 5 2.341 -3.721 -2.718 1.00 0.28 C ATOM 143 N1 U A 5 1.443 -4.878 -2.917 1.00 0.28 N ATOM 144 C2 U A 5 0.828 -5.410 -1.798 1.00 0.34 C ATOM 145 O2 U A 5 0.999 -4.946 -0.673 1.00 0.40 O ATOM 146 N3 U A 5 0.018 -6.506 -2.013 1.00 0.38 N ATOM 147 C4 U A 5 -0.230 -7.112 -3.230 1.00 0.37 C ATOM 148 O4 U A 5 -0.962 -8.094 -3.300 1.00 0.43 O ATOM 149 C5 U A 5 0.449 -6.493 -4.345 1.00 0.32 C ATOM 150 C6 U A 5 1.248 -5.417 -4.161 1.00 0.29 C ATOM 0 H5' U A 5 1.806 -1.507 -6.033 1.00 0.30 H new ATOM 0 H5'' U A 5 3.378 -2.012 -6.620 1.00 0.30 H new ATOM 0 H4' U A 5 3.537 -1.412 -4.298 1.00 0.29 H new ATOM 0 H3' U A 5 3.993 -4.235 -5.167 1.00 0.29 H new ATOM 0 H2' U A 5 3.902 -5.192 -3.038 1.00 0.30 H new ATOM 0 HO2' U A 5 5.591 -3.648 -2.368 1.00 0.37 H new ATOM 0 H1' U A 5 2.239 -3.410 -1.678 1.00 0.28 H new ATOM 0 H3 U A 5 -0.442 -6.907 -1.196 1.00 0.38 H new ATOM 0 H5 U A 5 0.317 -6.895 -5.339 1.00 0.32 H new ATOM 0 H6 U A 5 1.742 -4.974 -5.013 1.00 0.29 H new ATOM 161 P G A 6 6.213 -2.991 -5.855 1.00 0.45 P ATOM 162 OP1 G A 6 6.948 -1.709 -5.957 1.00 0.52 O ATOM 163 OP2 G A 6 5.264 -3.376 -6.924 1.00 0.52 O ATOM 164 O5' G A 6 7.296 -4.180 -5.688 1.00 0.47 O ATOM 165 C5' G A 6 8.411 -4.035 -4.798 1.00 0.46 C ATOM 166 C4' G A 6 8.185 -4.747 -3.463 1.00 0.42 C ATOM 167 O4' G A 6 6.790 -4.752 -3.094 1.00 0.36 O ATOM 168 C3' G A 6 8.615 -6.204 -3.505 1.00 0.50 C ATOM 169 O3' G A 6 10.016 -6.382 -3.183 1.00 0.57 O ATOM 170 C2' G A 6 7.690 -6.896 -2.529 1.00 0.49 C ATOM 171 O2' G A 6 8.276 -7.057 -1.236 1.00 0.54 O ATOM 172 C1' G A 6 6.471 -6.012 -2.453 1.00 0.40 C ATOM 173 N9 G A 6 5.340 -6.710 -3.092 1.00 0.39 N ATOM 174 C8 G A 6 4.416 -7.496 -2.530 1.00 0.42 C ATOM 175 N7 G A 6 3.521 -8.064 -3.250 1.00 0.44 N ATOM 176 C5 G A 6 3.889 -7.598 -4.519 1.00 0.43 C ATOM 177 C6 G A 6 3.304 -7.856 -5.786 1.00 0.49 C ATOM 178 O6 G A 6 2.327 -8.548 -6.049 1.00 0.52 O ATOM 179 N1 G A 6 3.981 -7.199 -6.801 1.00 0.55 N ATOM 180 C2 G A 6 5.085 -6.392 -6.627 1.00 0.56 C ATOM 181 N2 G A 6 5.603 -5.860 -7.728 1.00 0.67 N ATOM 182 N3 G A 6 5.645 -6.139 -5.442 1.00 0.48 N ATOM 183 C4 G A 6 5.007 -6.765 -4.433 1.00 0.42 C ATOM 0 H5' G A 6 8.592 -2.976 -4.616 1.00 0.46 H new ATOM 0 H5'' G A 6 9.307 -4.435 -5.273 1.00 0.46 H new ATOM 0 H4' G A 6 8.785 -4.191 -2.742 1.00 0.42 H new ATOM 0 H3' G A 6 8.534 -6.627 -4.506 1.00 0.50 H new ATOM 0 H2' G A 6 7.459 -7.907 -2.865 1.00 0.49 H new ATOM 0 HO2' G A 6 9.108 -7.569 -1.315 1.00 0.54 H new ATOM 0 H1' G A 6 6.180 -5.801 -1.424 1.00 0.40 H new ATOM 0 H8 G A 6 4.424 -7.653 -1.462 1.00 0.42 H new ATOM 0 H1 G A 6 3.635 -7.322 -7.753 1.00 0.55 H new ATOM 0 H21 G A 6 6.421 -5.254 -7.665 1.00 0.67 H new ATOM 0 H22 G A 6 5.183 -6.058 -8.636 1.00 0.67 H new ATOM 195 P A A 7 10.702 -5.854 -1.812 1.00 0.59 P ATOM 196 OP1 A A 7 12.020 -5.282 -2.159 1.00 0.73 O ATOM 197 OP2 A A 7 10.620 -6.939 -0.807 1.00 0.67 O ATOM 198 O5' A A 7 9.745 -4.645 -1.349 1.00 0.47 O ATOM 199 C5' A A 7 8.958 -4.717 -0.150 1.00 0.43 C ATOM 200 C4' A A 7 9.443 -3.713 0.894 1.00 0.43 C ATOM 201 O4' A A 7 9.909 -2.518 0.254 1.00 0.38 O ATOM 202 C3' A A 7 8.308 -3.267 1.794 1.00 0.43 C ATOM 203 O3' A A 7 8.755 -2.825 3.099 1.00 0.50 O ATOM 204 C2' A A 7 7.672 -2.172 0.998 1.00 0.35 C ATOM 205 O2' A A 7 7.099 -1.203 1.866 1.00 0.40 O ATOM 206 C1' A A 7 8.824 -1.573 0.204 1.00 0.31 C ATOM 207 N9 A A 7 8.472 -1.350 -1.204 1.00 0.29 N ATOM 208 C8 A A 7 7.588 -1.970 -2.017 1.00 0.31 C ATOM 209 N7 A A 7 7.527 -1.632 -3.254 1.00 0.36 N ATOM 210 C5 A A 7 8.519 -0.638 -3.291 1.00 0.39 C ATOM 211 C6 A A 7 9.020 0.175 -4.314 1.00 0.50 C ATOM 212 N6 A A 7 8.576 0.128 -5.567 1.00 0.59 N ATOM 213 N1 A A 7 10.003 1.037 -3.990 1.00 0.53 N ATOM 214 C2 A A 7 10.467 1.093 -2.737 1.00 0.48 C ATOM 215 N3 A A 7 10.066 0.379 -1.703 1.00 0.39 N ATOM 216 C4 A A 7 9.089 -0.471 -2.045 1.00 0.34 C ATOM 0 H5' A A 7 9.009 -5.725 0.261 1.00 0.43 H new ATOM 0 H5'' A A 7 7.912 -4.522 -0.387 1.00 0.43 H new ATOM 0 H4' A A 7 10.228 -4.212 1.462 1.00 0.43 H new ATOM 0 H3' A A 7 7.620 -4.076 2.039 1.00 0.43 H new ATOM 0 H2' A A 7 6.866 -2.527 0.356 1.00 0.35 H new ATOM 0 HO2' A A 7 6.306 -0.812 1.442 1.00 0.40 H new ATOM 0 H1' A A 7 9.085 -0.607 0.637 1.00 0.31 H new ATOM 0 H8 A A 7 6.939 -2.742 -1.630 1.00 0.31 H new ATOM 0 H61 A A 7 8.977 0.744 -6.274 1.00 0.59 H new ATOM 0 H62 A A 7 7.834 -0.524 -5.821 1.00 0.59 H new ATOM 0 H2 A A 7 11.259 1.803 -2.551 1.00 0.48 H new ATOM 228 P A A 8 9.935 -1.741 3.317 1.00 0.49 P ATOM 229 OP1 A A 8 11.115 -2.158 2.526 1.00 0.61 O ATOM 230 OP2 A A 8 10.077 -1.513 4.773 1.00 0.52 O ATOM 231 O5' A A 8 9.327 -0.397 2.664 1.00 0.39 O ATOM 232 C5' A A 8 10.192 0.689 2.314 1.00 0.35 C ATOM 233 C4' A A 8 9.435 2.009 2.169 1.00 0.28 C ATOM 234 O4' A A 8 8.403 1.937 1.146 1.00 0.24 O ATOM 235 C3' A A 8 8.742 2.400 3.460 1.00 0.31 C ATOM 236 O3' A A 8 8.842 3.827 3.658 1.00 0.30 O ATOM 237 C2' A A 8 7.319 1.937 3.261 1.00 0.32 C ATOM 238 O2' A A 8 6.364 2.698 4.004 1.00 0.37 O ATOM 239 C1' A A 8 7.096 2.059 1.768 1.00 0.26 C ATOM 240 N9 A A 8 6.125 1.051 1.301 1.00 0.28 N ATOM 241 C8 A A 8 5.231 0.348 2.013 1.00 0.34 C ATOM 242 N7 A A 8 4.376 -0.396 1.422 1.00 0.37 N ATOM 243 C5 A A 8 4.735 -0.172 0.090 1.00 0.31 C ATOM 244 C6 A A 8 4.226 -0.656 -1.113 1.00 0.33 C ATOM 245 N6 A A 8 3.184 -1.473 -1.180 1.00 0.40 N ATOM 246 N1 A A 8 4.809 -0.244 -2.245 1.00 0.33 N ATOM 247 C2 A A 8 5.837 0.600 -2.206 1.00 0.30 C ATOM 248 N3 A A 8 6.406 1.136 -1.125 1.00 0.26 N ATOM 249 C4 A A 8 5.804 0.706 0.003 1.00 0.26 C ATOM 0 H5' A A 8 10.700 0.459 1.377 1.00 0.35 H new ATOM 0 H5'' A A 8 10.963 0.797 3.077 1.00 0.35 H new ATOM 0 H4' A A 8 10.190 2.746 1.896 1.00 0.28 H new ATOM 0 H3' A A 8 9.181 1.953 4.352 1.00 0.31 H new ATOM 0 H2' A A 8 7.178 0.921 3.630 1.00 0.32 H new ATOM 0 HO2' A A 8 6.573 2.641 4.960 1.00 0.37 H new ATOM 0 H1' A A 8 6.656 3.018 1.495 1.00 0.26 H new ATOM 0 H8 A A 8 5.234 0.411 3.091 1.00 0.34 H new ATOM 0 H61 A A 8 2.849 -1.800 -2.087 1.00 0.40 H new ATOM 0 H62 A A 8 2.717 -1.775 -0.325 1.00 0.40 H new ATOM 0 H2 A A 8 6.259 0.884 -3.159 1.00 0.30 H new ATOM 261 P C A 9 8.002 4.609 4.793 1.00 0.32 P ATOM 262 OP1 C A 9 8.760 5.820 5.182 1.00 0.39 O ATOM 263 OP2 C A 9 7.588 3.632 5.830 1.00 0.35 O ATOM 264 O5' C A 9 6.687 5.075 3.980 1.00 0.30 O ATOM 265 C5' C A 9 6.823 5.812 2.762 1.00 0.29 C ATOM 266 C4' C A 9 5.648 5.608 1.803 1.00 0.27 C ATOM 267 O4' C A 9 5.469 4.232 1.399 1.00 0.28 O ATOM 268 C3' C A 9 4.326 6.002 2.412 1.00 0.28 C ATOM 269 O3' C A 9 4.103 7.424 2.410 1.00 0.30 O ATOM 270 C2' C A 9 3.337 5.291 1.544 1.00 0.28 C ATOM 271 O2' C A 9 2.958 6.103 0.428 1.00 0.30 O ATOM 272 C1' C A 9 4.063 4.050 1.068 1.00 0.28 C ATOM 273 N1 C A 9 3.464 2.862 1.710 1.00 0.28 N ATOM 274 C2 C A 9 2.666 2.048 0.920 1.00 0.27 C ATOM 275 O2 C A 9 2.532 2.291 -0.275 1.00 0.28 O ATOM 276 N3 C A 9 2.042 0.990 1.502 1.00 0.28 N ATOM 277 C4 C A 9 2.195 0.736 2.806 1.00 0.30 C ATOM 278 N4 C A 9 1.581 -0.319 3.337 1.00 0.32 N ATOM 279 C5 C A 9 3.019 1.570 3.628 1.00 0.31 C ATOM 280 C6 C A 9 3.632 2.618 3.042 1.00 0.30 C ATOM 0 H5' C A 9 7.746 5.514 2.265 1.00 0.29 H new ATOM 0 H5'' C A 9 6.915 6.873 2.994 1.00 0.29 H new ATOM 0 H4' C A 9 5.911 6.238 0.954 1.00 0.27 H new ATOM 0 H3' C A 9 4.261 5.733 3.466 1.00 0.28 H new ATOM 0 H2' C A 9 2.419 5.057 2.083 1.00 0.28 H new ATOM 0 HO2' C A 9 2.142 5.742 0.023 1.00 0.30 H new ATOM 0 H1' C A 9 3.974 3.896 -0.007 1.00 0.28 H new ATOM 0 H41 C A 9 1.689 -0.525 4.330 1.00 0.32 H new ATOM 0 H42 C A 9 1.003 -0.921 2.751 1.00 0.32 H new ATOM 0 H5 C A 9 3.145 1.367 4.681 1.00 0.31 H new ATOM 0 H6 C A 9 4.261 3.269 3.631 1.00 0.30 H new ATOM 292 P A A 10 2.663 8.033 2.836 1.00 0.33 P ATOM 293 OP1 A A 10 2.833 9.482 3.088 1.00 0.36 O ATOM 294 OP2 A A 10 2.086 7.166 3.887 1.00 0.39 O ATOM 295 O5' A A 10 1.778 7.851 1.492 1.00 0.31 O ATOM 296 C5' A A 10 1.838 8.827 0.442 1.00 0.35 C ATOM 297 C4' A A 10 0.970 8.453 -0.764 1.00 0.34 C ATOM 298 O4' A A 10 1.318 7.153 -1.298 1.00 0.35 O ATOM 299 C3' A A 10 -0.505 8.394 -0.407 1.00 0.30 C ATOM 300 O3' A A 10 -1.154 9.658 -0.585 1.00 0.31 O ATOM 301 C2' A A 10 -1.052 7.338 -1.320 1.00 0.30 C ATOM 302 O2' A A 10 -1.455 7.899 -2.574 1.00 0.34 O ATOM 303 C1' A A 10 0.105 6.380 -1.492 1.00 0.33 C ATOM 304 N9 A A 10 0.014 5.308 -0.492 1.00 0.30 N ATOM 305 C8 A A 10 0.561 5.222 0.729 1.00 0.31 C ATOM 306 N7 A A 10 0.364 4.187 1.449 1.00 0.29 N ATOM 307 C5 A A 10 -0.450 3.443 0.588 1.00 0.27 C ATOM 308 C6 A A 10 -1.049 2.197 0.714 1.00 0.27 C ATOM 309 N6 A A 10 -0.894 1.442 1.800 1.00 0.28 N ATOM 310 N1 A A 10 -1.796 1.757 -0.322 1.00 0.26 N ATOM 311 C2 A A 10 -1.933 2.511 -1.420 1.00 0.27 C ATOM 312 N3 A A 10 -1.405 3.709 -1.645 1.00 0.28 N ATOM 313 C4 A A 10 -0.670 4.121 -0.597 1.00 0.28 C ATOM 0 H5' A A 10 2.872 8.943 0.118 1.00 0.35 H new ATOM 0 H5'' A A 10 1.516 9.793 0.831 1.00 0.35 H new ATOM 0 H4' A A 10 1.155 9.234 -1.501 1.00 0.34 H new ATOM 0 H3' A A 10 -0.671 8.158 0.644 1.00 0.30 H new ATOM 0 H2' A A 10 -1.942 6.853 -0.920 1.00 0.30 H new ATOM 0 HO2' A A 10 -1.633 8.856 -2.462 1.00 0.34 H new ATOM 0 H1' A A 10 0.096 5.916 -2.478 1.00 0.33 H new ATOM 0 H8 A A 10 1.170 6.031 1.104 1.00 0.31 H new ATOM 0 H61 A A 10 -1.350 0.531 1.857 1.00 0.28 H new ATOM 0 H62 A A 10 -0.320 1.775 2.574 1.00 0.28 H new ATOM 0 H2 A A 10 -2.541 2.099 -2.212 1.00 0.27 H new ATOM 325 P C A 11 -1.772 10.434 0.689 1.00 0.31 P ATOM 326 OP1 C A 11 -1.858 11.873 0.360 1.00 0.37 O ATOM 327 OP2 C A 11 -1.040 9.995 1.899 1.00 0.37 O ATOM 328 O5' C A 11 -3.270 9.846 0.772 1.00 0.26 O ATOM 329 C5' C A 11 -4.140 9.931 -0.360 1.00 0.28 C ATOM 330 C4' C A 11 -4.660 8.559 -0.779 1.00 0.25 C ATOM 331 O4' C A 11 -3.612 7.564 -0.758 1.00 0.22 O ATOM 332 C3' C A 11 -5.718 8.043 0.170 1.00 0.24 C ATOM 333 O3' C A 11 -7.046 8.558 -0.104 1.00 0.31 O ATOM 334 C2' C A 11 -5.629 6.547 0.009 1.00 0.21 C ATOM 335 O2' C A 11 -6.466 6.065 -1.040 1.00 0.27 O ATOM 336 C1' C A 11 -4.174 6.298 -0.322 1.00 0.19 C ATOM 337 N1 C A 11 -3.471 5.734 0.851 1.00 0.17 N ATOM 338 C2 C A 11 -3.765 4.419 1.177 1.00 0.17 C ATOM 339 O2 C A 11 -4.566 3.783 0.501 1.00 0.20 O ATOM 340 N3 C A 11 -3.148 3.862 2.249 1.00 0.19 N ATOM 341 C4 C A 11 -2.274 4.562 2.976 1.00 0.22 C ATOM 342 N4 C A 11 -1.680 3.972 4.010 1.00 0.27 N ATOM 343 C5 C A 11 -1.962 5.921 2.648 1.00 0.22 C ATOM 344 C6 C A 11 -2.582 6.466 1.581 1.00 0.19 C ATOM 0 H5' C A 11 -3.608 10.388 -1.194 1.00 0.28 H new ATOM 0 H5'' C A 11 -4.982 10.582 -0.124 1.00 0.28 H new ATOM 0 H4' C A 11 -5.061 8.702 -1.782 1.00 0.25 H new ATOM 0 H3' C A 11 -5.544 8.372 1.195 1.00 0.24 H new ATOM 0 H2' C A 11 -5.964 6.028 0.907 1.00 0.21 H new ATOM 0 HO2' C A 11 -7.354 6.471 -0.962 1.00 0.27 H new ATOM 0 H1' C A 11 -4.062 5.564 -1.120 1.00 0.19 H new ATOM 0 H41 C A 11 -1.009 4.491 4.577 1.00 0.27 H new ATOM 0 H42 C A 11 -1.895 3.001 4.236 1.00 0.27 H new ATOM 0 H5 C A 11 -1.255 6.489 3.234 1.00 0.22 H new ATOM 0 H6 C A 11 -2.373 7.489 1.303 1.00 0.19 H new ATOM 356 P C A 12 -7.611 8.843 -1.596 1.00 0.38 P ATOM 357 OP1 C A 12 -6.506 9.339 -2.445 1.00 0.46 O ATOM 358 OP2 C A 12 -8.851 9.640 -1.468 1.00 0.41 O ATOM 359 O5' C A 12 -8.014 7.372 -2.108 1.00 0.38 O ATOM 360 C5' C A 12 -9.375 6.933 -2.142 1.00 0.44 C ATOM 361 C4' C A 12 -9.841 6.340 -0.806 1.00 0.41 C ATOM 362 O4' C A 12 -8.775 5.715 -0.064 1.00 0.33 O ATOM 363 C3' C A 12 -10.422 7.393 0.117 1.00 0.45 C ATOM 364 O3' C A 12 -11.828 7.561 -0.105 1.00 0.56 O ATOM 365 C2' C A 12 -10.142 6.879 1.514 1.00 0.43 C ATOM 366 O2' C A 12 -11.350 6.436 2.137 1.00 0.53 O ATOM 367 C1' C A 12 -9.160 5.719 1.329 1.00 0.35 C ATOM 368 N1 C A 12 -7.996 5.838 2.243 1.00 0.30 N ATOM 369 C2 C A 12 -7.627 4.699 2.951 1.00 0.29 C ATOM 370 O2 C A 12 -8.269 3.658 2.830 1.00 0.32 O ATOM 371 N3 C A 12 -6.559 4.773 3.790 1.00 0.29 N ATOM 372 C4 C A 12 -5.876 5.915 3.933 1.00 0.29 C ATOM 373 N4 C A 12 -4.828 5.952 4.753 1.00 0.33 N ATOM 374 C5 C A 12 -6.252 7.091 3.211 1.00 0.28 C ATOM 375 C6 C A 12 -7.313 7.009 2.382 1.00 0.29 C ATOM 0 H5' C A 12 -9.492 6.185 -2.927 1.00 0.44 H new ATOM 0 H5'' C A 12 -10.017 7.774 -2.405 1.00 0.44 H new ATOM 0 H4' C A 12 -10.592 5.604 -1.093 1.00 0.41 H new ATOM 0 H3' C A 12 -9.980 8.375 -0.053 1.00 0.45 H new ATOM 0 H2' C A 12 -9.729 7.654 2.160 1.00 0.43 H new ATOM 0 HO2' C A 12 -12.114 6.661 1.566 1.00 0.53 H new ATOM 0 HO3' C A 12 -12.176 8.245 0.505 1.00 0.56 H new ATOM 0 H1' C A 12 -9.626 4.768 1.588 1.00 0.35 H new ATOM 0 H41 C A 12 -4.301 6.818 4.869 1.00 0.33 H new ATOM 0 H42 C A 12 -4.552 5.115 5.266 1.00 0.33 H new ATOM 0 H5 C A 12 -5.704 8.015 3.326 1.00 0.28 H new ATOM 0 H6 C A 12 -7.624 7.879 1.823 1.00 0.29 H new TER 388 C A 12