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 4:sc= 0.425 USER MOD Single : A 1 G O5' : rot -90:sc= -3.6! USER MOD Single : A 2 G O2' : rot -147:sc= 0.13 USER MOD Single : A 3 U O2' : rot -22:sc= 0.244 USER MOD Single : A 4 G O2' : rot -12:sc= 0.321 USER MOD Single : A 5 U O2' : rot -42:sc= -0.65 USER MOD Single : A 6 G O2' : rot -98:sc= -5.69! USER MOD Single : A 7 A O2' : rot -136:sc= -3.14! USER MOD Single : A 8 A O2' : rot 75:sc= -2.81! USER MOD Single : A 9 C O2' : rot -172:sc= -3.29! USER MOD Single : A 10 A O2' : rot -95:sc= 0.279 USER MOD Single : A 11 C O2' : rot -116:sc= -2.26 USER MOD Single : A 12 C O2' : rot 18:sc= 0.369 USER MOD Single : A 12 C O3' : rot -174:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.859 -2.009 7.293 1.00 0.48 O ATOM 2 C5' G A 1 -3.895 -3.369 7.729 1.00 0.50 C ATOM 3 C4' G A 1 -5.280 -3.773 8.234 1.00 0.47 C ATOM 4 O4' G A 1 -5.887 -2.716 9.002 1.00 0.51 O ATOM 5 C3' G A 1 -6.201 -4.064 7.064 1.00 0.37 C ATOM 6 O3' G A 1 -6.881 -5.302 7.269 1.00 0.40 O ATOM 7 C2' G A 1 -7.154 -2.901 6.977 1.00 0.37 C ATOM 8 O2' G A 1 -8.511 -3.351 7.045 1.00 0.45 O ATOM 9 C1' G A 1 -6.818 -2.008 8.160 1.00 0.45 C ATOM 10 N9 G A 1 -6.233 -0.717 7.743 1.00 0.44 N ATOM 11 C8 G A 1 -5.185 -0.045 8.259 1.00 0.49 C ATOM 12 N7 G A 1 -4.886 1.118 7.821 1.00 0.49 N ATOM 13 C5 G A 1 -5.878 1.283 6.849 1.00 0.41 C ATOM 14 C6 G A 1 -6.117 2.372 5.976 1.00 0.37 C ATOM 15 O6 G A 1 -5.492 3.423 5.885 1.00 0.40 O ATOM 16 N1 G A 1 -7.206 2.137 5.153 1.00 0.33 N ATOM 17 C2 G A 1 -7.978 0.994 5.161 1.00 0.34 C ATOM 18 N2 G A 1 -8.967 0.947 4.277 1.00 0.36 N ATOM 19 N3 G A 1 -7.768 -0.041 5.978 1.00 0.36 N ATOM 20 C4 G A 1 -6.710 0.163 6.793 1.00 0.39 C ATOM 0 H5' G A 1 -3.163 -3.514 8.523 1.00 0.50 H new ATOM 0 H5'' G A 1 -3.605 -4.021 6.905 1.00 0.50 H new ATOM 0 H4' G A 1 -5.146 -4.657 8.857 1.00 0.47 H new ATOM 0 H3' G A 1 -5.653 -4.170 6.128 1.00 0.37 H new ATOM 0 H2' G A 1 -7.053 -2.367 6.032 1.00 0.37 H new ATOM 0 HO2' G A 1 -8.527 -4.319 7.195 1.00 0.45 H new ATOM 0 HO5' G A 1 -4.086 -1.965 6.341 1.00 0.48 H new ATOM 0 H1' G A 1 -7.739 -1.778 8.695 1.00 0.45 H new ATOM 0 H8 G A 1 -4.595 -0.491 9.046 1.00 0.49 H new ATOM 0 H1 G A 1 -7.457 2.868 4.487 1.00 0.33 H new ATOM 0 H21 G A 1 -9.574 0.128 4.233 1.00 0.36 H new ATOM 0 H22 G A 1 -9.120 1.730 3.641 1.00 0.36 H new ATOM 33 P G A 2 -6.113 -6.675 6.933 1.00 0.41 P ATOM 34 OP1 G A 2 -7.086 -7.786 7.025 1.00 0.52 O ATOM 35 OP2 G A 2 -4.863 -6.717 7.726 1.00 0.46 O ATOM 36 O5' G A 2 -5.723 -6.464 5.383 1.00 0.35 O ATOM 37 C5' G A 2 -6.700 -6.708 4.374 1.00 0.30 C ATOM 38 C4' G A 2 -6.801 -5.580 3.347 1.00 0.24 C ATOM 39 O4' G A 2 -6.897 -4.262 3.937 1.00 0.24 O ATOM 40 C3' G A 2 -5.607 -5.518 2.421 1.00 0.24 C ATOM 41 O3' G A 2 -5.681 -6.527 1.401 1.00 0.26 O ATOM 42 C2' G A 2 -5.722 -4.129 1.858 1.00 0.21 C ATOM 43 O2' G A 2 -6.561 -4.101 0.697 1.00 0.22 O ATOM 44 C1' G A 2 -6.329 -3.316 2.989 1.00 0.21 C ATOM 45 N9 G A 2 -5.337 -2.382 3.567 1.00 0.23 N ATOM 46 C8 G A 2 -4.471 -2.512 4.584 1.00 0.28 C ATOM 47 N7 G A 2 -3.693 -1.535 4.896 1.00 0.30 N ATOM 48 C5 G A 2 -4.086 -0.584 3.941 1.00 0.25 C ATOM 49 C6 G A 2 -3.620 0.743 3.718 1.00 0.26 C ATOM 50 O6 G A 2 -2.753 1.364 4.329 1.00 0.31 O ATOM 51 N1 G A 2 -4.285 1.345 2.656 1.00 0.22 N ATOM 52 C2 G A 2 -5.273 0.751 1.901 1.00 0.21 C ATOM 53 N2 G A 2 -5.780 1.479 0.916 1.00 0.24 N ATOM 54 N3 G A 2 -5.719 -0.489 2.100 1.00 0.20 N ATOM 55 C4 G A 2 -5.091 -1.100 3.126 1.00 0.21 C ATOM 0 H5' G A 2 -7.672 -6.849 4.846 1.00 0.30 H new ATOM 0 H5'' G A 2 -6.457 -7.638 3.860 1.00 0.30 H new ATOM 0 H4' G A 2 -7.715 -5.828 2.806 1.00 0.24 H new ATOM 0 H3' G A 2 -4.652 -5.706 2.912 1.00 0.24 H new ATOM 0 H2' G A 2 -4.759 -3.737 1.531 1.00 0.21 H new ATOM 0 HO2' G A 2 -6.241 -3.411 0.079 1.00 0.22 H new ATOM 0 H1' G A 2 -7.129 -2.663 2.638 1.00 0.21 H new ATOM 0 H8 G A 2 -4.427 -3.436 5.141 1.00 0.28 H new ATOM 0 H1 G A 2 -4.021 2.301 2.417 1.00 0.22 H new ATOM 0 H21 G A 2 -6.514 1.093 0.323 1.00 0.24 H new ATOM 0 H22 G A 2 -5.436 2.425 0.752 1.00 0.24 H new ATOM 67 P U A 3 -4.588 -6.601 0.217 1.00 0.29 P ATOM 68 OP1 U A 3 -4.671 -7.943 -0.404 1.00 0.38 O ATOM 69 OP2 U A 3 -3.294 -6.107 0.740 1.00 0.34 O ATOM 70 O5' U A 3 -5.153 -5.518 -0.833 1.00 0.27 O ATOM 71 C5' U A 3 -6.285 -5.816 -1.658 1.00 0.28 C ATOM 72 C4' U A 3 -6.431 -4.805 -2.792 1.00 0.26 C ATOM 73 O4' U A 3 -6.735 -3.477 -2.286 1.00 0.25 O ATOM 74 C3' U A 3 -5.136 -4.684 -3.571 1.00 0.25 C ATOM 75 O3' U A 3 -5.077 -5.575 -4.696 1.00 0.28 O ATOM 76 C2' U A 3 -5.112 -3.250 -3.996 1.00 0.25 C ATOM 77 O2' U A 3 -5.770 -3.077 -5.254 1.00 0.29 O ATOM 78 C1' U A 3 -5.836 -2.513 -2.898 1.00 0.25 C ATOM 79 N1 U A 3 -4.887 -1.966 -1.899 1.00 0.23 N ATOM 80 C2 U A 3 -4.461 -0.652 -2.029 1.00 0.24 C ATOM 81 O2 U A 3 -4.803 0.064 -2.965 1.00 0.27 O ATOM 82 N3 U A 3 -3.614 -0.194 -1.031 1.00 0.24 N ATOM 83 C4 U A 3 -3.178 -0.917 0.056 1.00 0.23 C ATOM 84 O4 U A 3 -2.459 -0.409 0.897 1.00 0.25 O ATOM 85 C5 U A 3 -3.663 -2.264 0.098 1.00 0.23 C ATOM 86 C6 U A 3 -4.482 -2.736 -0.863 1.00 0.23 C ATOM 0 H5' U A 3 -7.190 -5.816 -1.050 1.00 0.28 H new ATOM 0 H5'' U A 3 -6.180 -6.818 -2.074 1.00 0.28 H new ATOM 0 H4' U A 3 -7.242 -5.168 -3.424 1.00 0.26 H new ATOM 0 H3' U A 3 -4.271 -4.965 -2.970 1.00 0.25 H new ATOM 0 H2' U A 3 -4.097 -2.880 -4.137 1.00 0.25 H new ATOM 0 HO2' U A 3 -5.779 -3.929 -5.738 1.00 0.29 H new ATOM 0 H1' U A 3 -6.383 -1.659 -3.298 1.00 0.25 H new ATOM 0 H3 U A 3 -3.284 0.768 -1.110 1.00 0.24 H new ATOM 0 H5 U A 3 -3.368 -2.911 0.911 1.00 0.23 H new ATOM 0 H6 U A 3 -4.825 -3.758 -0.804 1.00 0.23 H new ATOM 97 P G A 4 -3.876 -6.654 -4.821 1.00 0.29 P ATOM 98 OP1 G A 4 -4.186 -7.554 -5.954 1.00 0.35 O ATOM 99 OP2 G A 4 -3.631 -7.221 -3.476 1.00 0.31 O ATOM 100 O5' G A 4 -2.594 -5.752 -5.228 1.00 0.26 O ATOM 101 C5' G A 4 -2.582 -5.025 -6.463 1.00 0.26 C ATOM 102 C4' G A 4 -2.404 -3.522 -6.242 1.00 0.25 C ATOM 103 O4' G A 4 -2.923 -3.129 -4.965 1.00 0.27 O ATOM 104 C3' G A 4 -0.954 -3.084 -6.233 1.00 0.24 C ATOM 105 O3' G A 4 -0.466 -2.811 -7.549 1.00 0.26 O ATOM 106 C2' G A 4 -0.958 -1.843 -5.379 1.00 0.27 C ATOM 107 O2' G A 4 -1.079 -0.668 -6.190 1.00 0.31 O ATOM 108 C1' G A 4 -2.167 -2.008 -4.467 1.00 0.26 C ATOM 109 N9 G A 4 -1.728 -2.207 -3.080 1.00 0.25 N ATOM 110 C8 G A 4 -1.963 -3.203 -2.215 1.00 0.26 C ATOM 111 N7 G A 4 -1.442 -3.154 -1.035 1.00 0.27 N ATOM 112 C5 G A 4 -0.756 -1.927 -1.112 1.00 0.26 C ATOM 113 C6 G A 4 0.034 -1.240 -0.142 1.00 0.27 C ATOM 114 O6 G A 4 0.305 -1.577 1.010 1.00 0.30 O ATOM 115 N1 G A 4 0.517 -0.037 -0.648 1.00 0.27 N ATOM 116 C2 G A 4 0.277 0.443 -1.915 1.00 0.26 C ATOM 117 N2 G A 4 0.799 1.620 -2.207 1.00 0.28 N ATOM 118 N3 G A 4 -0.450 -0.187 -2.823 1.00 0.26 N ATOM 119 C4 G A 4 -0.936 -1.353 -2.365 1.00 0.25 C ATOM 0 H5' G A 4 -3.514 -5.205 -6.998 1.00 0.26 H new ATOM 0 H5'' G A 4 -1.775 -5.397 -7.095 1.00 0.26 H new ATOM 0 H4' G A 4 -2.934 -3.058 -7.074 1.00 0.25 H new ATOM 0 H3' G A 4 -0.292 -3.860 -5.849 1.00 0.24 H new ATOM 0 H2' G A 4 -0.033 -1.725 -4.815 1.00 0.27 H new ATOM 0 HO2' G A 4 -0.934 -0.903 -7.130 1.00 0.31 H new ATOM 0 H1' G A 4 -2.795 -1.117 -4.467 1.00 0.26 H new ATOM 0 H8 G A 4 -2.583 -4.039 -2.503 1.00 0.26 H new ATOM 0 H1 G A 4 1.095 0.534 -0.031 1.00 0.27 H new ATOM 0 H21 G A 4 0.655 2.027 -3.131 1.00 0.28 H new ATOM 0 H22 G A 4 1.347 2.122 -1.508 1.00 0.28 H new ATOM 131 P U A 5 0.764 -3.660 -8.150 1.00 0.26 P ATOM 132 OP1 U A 5 1.332 -2.907 -9.291 1.00 0.42 O ATOM 133 OP2 U A 5 0.309 -5.056 -8.340 1.00 0.46 O ATOM 134 O5' U A 5 1.839 -3.641 -6.947 1.00 0.32 O ATOM 135 C5' U A 5 2.551 -2.444 -6.613 1.00 0.38 C ATOM 136 C4' U A 5 2.970 -2.430 -5.144 1.00 0.34 C ATOM 137 O4' U A 5 1.822 -2.620 -4.286 1.00 0.34 O ATOM 138 C3' U A 5 3.957 -3.546 -4.837 1.00 0.30 C ATOM 139 O3' U A 5 5.314 -3.074 -4.859 1.00 0.36 O ATOM 140 C2' U A 5 3.560 -4.043 -3.474 1.00 0.28 C ATOM 141 O2' U A 5 4.372 -3.456 -2.454 1.00 0.33 O ATOM 142 C1' U A 5 2.107 -3.646 -3.308 1.00 0.31 C ATOM 143 N1 U A 5 1.241 -4.829 -3.496 1.00 0.33 N ATOM 144 C2 U A 5 0.627 -5.358 -2.375 1.00 0.41 C ATOM 145 O2 U A 5 0.762 -4.863 -1.260 1.00 0.47 O ATOM 146 N3 U A 5 -0.137 -6.488 -2.578 1.00 0.47 N ATOM 147 C4 U A 5 -0.340 -7.130 -3.783 1.00 0.48 C ATOM 148 O4 U A 5 -1.037 -8.140 -3.843 1.00 0.56 O ATOM 149 C5 U A 5 0.333 -6.512 -4.901 1.00 0.43 C ATOM 150 C6 U A 5 1.087 -5.403 -4.730 1.00 0.36 C ATOM 0 H5' U A 5 1.924 -1.577 -6.821 1.00 0.38 H new ATOM 0 H5'' U A 5 3.435 -2.357 -7.245 1.00 0.38 H new ATOM 0 H4' U A 5 3.435 -1.461 -4.960 1.00 0.34 H new ATOM 0 H3' U A 5 3.923 -4.339 -5.584 1.00 0.30 H new ATOM 0 H2' U A 5 3.696 -5.121 -3.385 1.00 0.28 H new ATOM 0 HO2' U A 5 5.305 -3.429 -2.753 1.00 0.33 H new ATOM 0 H1' U A 5 1.914 -3.259 -2.307 1.00 0.31 H new ATOM 0 H3 U A 5 -0.596 -6.888 -1.759 1.00 0.47 H new ATOM 0 H5 U A 5 0.233 -6.941 -5.887 1.00 0.43 H new ATOM 0 H6 U A 5 1.578 -4.961 -5.584 1.00 0.36 H new ATOM 161 P G A 6 6.264 -3.330 -6.143 1.00 0.46 P ATOM 162 OP1 G A 6 6.986 -2.069 -6.439 1.00 0.53 O ATOM 163 OP2 G A 6 5.453 -3.973 -7.202 1.00 0.58 O ATOM 164 O5' G A 6 7.345 -4.409 -5.607 1.00 0.42 O ATOM 165 C5' G A 6 8.235 -4.058 -4.545 1.00 0.37 C ATOM 166 C4' G A 6 7.756 -4.590 -3.194 1.00 0.28 C ATOM 167 O4' G A 6 6.320 -4.675 -3.151 1.00 0.27 O ATOM 168 C3' G A 6 8.283 -5.971 -2.873 1.00 0.33 C ATOM 169 O3' G A 6 9.563 -5.838 -2.208 1.00 0.36 O ATOM 170 C2' G A 6 7.187 -6.583 -2.018 1.00 0.34 C ATOM 171 O2' G A 6 7.433 -6.428 -0.622 1.00 0.35 O ATOM 172 C1' G A 6 5.931 -5.844 -2.398 1.00 0.30 C ATOM 173 N9 G A 6 5.041 -6.742 -3.161 1.00 0.37 N ATOM 174 C8 G A 6 4.059 -7.528 -2.709 1.00 0.45 C ATOM 175 N7 G A 6 3.392 -8.265 -3.518 1.00 0.54 N ATOM 176 C5 G A 6 4.019 -7.940 -4.728 1.00 0.53 C ATOM 177 C6 G A 6 3.766 -8.415 -6.041 1.00 0.64 C ATOM 178 O6 G A 6 2.920 -9.225 -6.412 1.00 0.74 O ATOM 179 N1 G A 6 4.624 -7.839 -6.965 1.00 0.67 N ATOM 180 C2 G A 6 5.607 -6.920 -6.670 1.00 0.60 C ATOM 181 N2 G A 6 6.336 -6.491 -7.693 1.00 0.70 N ATOM 182 N3 G A 6 5.856 -6.463 -5.441 1.00 0.48 N ATOM 183 C4 G A 6 5.036 -7.005 -4.518 1.00 0.44 C ATOM 0 H5' G A 6 8.328 -2.973 -4.494 1.00 0.37 H new ATOM 0 H5'' G A 6 9.228 -4.454 -4.759 1.00 0.37 H new ATOM 0 H4' G A 6 8.139 -3.878 -2.463 1.00 0.28 H new ATOM 0 H3' G A 6 8.481 -6.610 -3.733 1.00 0.33 H new ATOM 0 H2' G A 6 7.123 -7.657 -2.193 1.00 0.34 H new ATOM 0 HO2' G A 6 7.831 -7.250 -0.267 1.00 0.35 H new ATOM 0 H1' G A 6 5.372 -5.521 -1.520 1.00 0.30 H new ATOM 0 H8 G A 6 3.826 -7.542 -1.655 1.00 0.45 H new ATOM 0 H1 G A 6 4.519 -8.118 -7.941 1.00 0.67 H new ATOM 0 H21 G A 6 7.080 -5.810 -7.539 1.00 0.70 H new ATOM 0 H22 G A 6 6.153 -6.842 -8.633 1.00 0.70 H new ATOM 195 P A A 7 10.145 -6.863 -1.098 1.00 0.40 P ATOM 196 OP1 A A 7 11.514 -7.251 -1.510 1.00 0.49 O ATOM 197 OP2 A A 7 9.141 -7.917 -0.816 1.00 0.46 O ATOM 198 O5' A A 7 10.267 -5.907 0.201 1.00 0.36 O ATOM 199 C5' A A 7 9.147 -5.130 0.659 1.00 0.32 C ATOM 200 C4' A A 7 9.582 -3.878 1.418 1.00 0.30 C ATOM 201 O4' A A 7 10.069 -2.868 0.503 1.00 0.28 O ATOM 202 C3' A A 7 8.409 -3.251 2.153 1.00 0.32 C ATOM 203 O3' A A 7 8.804 -2.645 3.404 1.00 0.38 O ATOM 204 C2' A A 7 7.875 -2.243 1.186 1.00 0.28 C ATOM 205 O2' A A 7 7.296 -1.147 1.881 1.00 0.33 O ATOM 206 C1' A A 7 9.094 -1.800 0.406 1.00 0.25 C ATOM 207 N9 A A 7 8.782 -1.520 -1.007 1.00 0.26 N ATOM 208 C8 A A 7 7.746 -1.901 -1.780 1.00 0.28 C ATOM 209 N7 A A 7 7.714 -1.561 -3.018 1.00 0.35 N ATOM 210 C5 A A 7 8.913 -0.837 -3.108 1.00 0.37 C ATOM 211 C6 A A 7 9.544 -0.168 -4.164 1.00 0.47 C ATOM 212 N6 A A 7 9.053 -0.125 -5.401 1.00 0.56 N ATOM 213 N1 A A 7 10.716 0.438 -3.899 1.00 0.50 N ATOM 214 C2 A A 7 11.239 0.391 -2.670 1.00 0.44 C ATOM 215 N3 A A 7 10.732 -0.210 -1.603 1.00 0.35 N ATOM 216 C4 A A 7 9.562 -0.809 -1.888 1.00 0.31 C ATOM 0 H5' A A 7 8.521 -5.745 1.306 1.00 0.32 H new ATOM 0 H5'' A A 7 8.535 -4.840 -0.195 1.00 0.32 H new ATOM 0 H4' A A 7 10.359 -4.192 2.115 1.00 0.30 H new ATOM 0 H3' A A 7 7.662 -3.990 2.440 1.00 0.32 H new ATOM 0 H2' A A 7 7.093 -2.647 0.543 1.00 0.28 H new ATOM 0 HO2' A A 7 6.447 -0.902 1.457 1.00 0.33 H new ATOM 0 H1' A A 7 9.476 -0.868 0.824 1.00 0.25 H new ATOM 0 H8 A A 7 6.945 -2.491 -1.360 1.00 0.28 H new ATOM 0 H61 A A 7 9.556 0.378 -6.132 1.00 0.56 H new ATOM 0 H62 A A 7 8.174 -0.595 -5.617 1.00 0.56 H new ATOM 0 H2 A A 7 12.181 0.900 -2.531 1.00 0.44 H new ATOM 228 P A A 8 9.993 -1.555 3.519 1.00 0.37 P ATOM 229 OP1 A A 8 11.178 -2.067 2.794 1.00 0.37 O ATOM 230 OP2 A A 8 10.122 -1.171 4.942 1.00 0.48 O ATOM 231 O5' A A 8 9.413 -0.281 2.712 1.00 0.32 O ATOM 232 C5' A A 8 10.299 0.757 2.267 1.00 0.30 C ATOM 233 C4' A A 8 9.566 2.063 1.962 1.00 0.28 C ATOM 234 O4' A A 8 8.505 1.881 0.980 1.00 0.26 O ATOM 235 C3' A A 8 8.913 2.636 3.205 1.00 0.32 C ATOM 236 O3' A A 8 9.047 4.067 3.230 1.00 0.36 O ATOM 237 C2' A A 8 7.480 2.190 3.098 1.00 0.32 C ATOM 238 O2' A A 8 6.565 3.079 3.745 1.00 0.37 O ATOM 239 C1' A A 8 7.218 2.119 1.608 1.00 0.28 C ATOM 240 N9 A A 8 6.228 1.065 1.320 1.00 0.27 N ATOM 241 C8 A A 8 5.432 0.404 2.173 1.00 0.31 C ATOM 242 N7 A A 8 4.598 -0.462 1.741 1.00 0.34 N ATOM 243 C5 A A 8 4.858 -0.389 0.367 1.00 0.30 C ATOM 244 C6 A A 8 4.316 -1.060 -0.727 1.00 0.33 C ATOM 245 N6 A A 8 3.354 -1.969 -0.617 1.00 0.39 N ATOM 246 N1 A A 8 4.797 -0.755 -1.940 1.00 0.33 N ATOM 247 C2 A A 8 5.757 0.156 -2.078 1.00 0.30 C ATOM 248 N3 A A 8 6.350 0.863 -1.114 1.00 0.27 N ATOM 249 C4 A A 8 5.852 0.540 0.098 1.00 0.26 C ATOM 0 H5' A A 8 10.825 0.422 1.373 1.00 0.30 H new ATOM 0 H5'' A A 8 11.054 0.938 3.032 1.00 0.30 H new ATOM 0 H4' A A 8 10.329 2.738 1.574 1.00 0.28 H new ATOM 0 H3' A A 8 9.369 2.294 4.134 1.00 0.32 H new ATOM 0 H2' A A 8 7.327 1.236 3.602 1.00 0.32 H new ATOM 0 HO2' A A 8 6.455 3.887 3.202 1.00 0.37 H new ATOM 0 H1' A A 8 6.788 3.040 1.214 1.00 0.28 H new ATOM 0 H8 A A 8 5.496 0.605 3.232 1.00 0.31 H new ATOM 0 H61 A A 8 2.992 -2.432 -1.451 1.00 0.39 H new ATOM 0 H62 A A 8 2.978 -2.204 0.301 1.00 0.39 H new ATOM 0 H2 A A 8 6.095 0.345 -3.086 1.00 0.30 H new ATOM 261 P C A 9 8.388 4.962 4.401 1.00 0.40 P ATOM 262 OP1 C A 9 9.195 6.194 4.552 1.00 0.46 O ATOM 263 OP2 C A 9 8.140 4.096 5.578 1.00 0.48 O ATOM 264 O5' C A 9 6.971 5.362 3.743 1.00 0.37 O ATOM 265 C5' C A 9 6.949 6.066 2.501 1.00 0.39 C ATOM 266 C4' C A 9 5.699 5.783 1.667 1.00 0.32 C ATOM 267 O4' C A 9 5.528 4.392 1.325 1.00 0.30 O ATOM 268 C3' C A 9 4.423 6.153 2.379 1.00 0.31 C ATOM 269 O3' C A 9 4.172 7.570 2.392 1.00 0.36 O ATOM 270 C2' C A 9 3.389 5.416 1.586 1.00 0.27 C ATOM 271 O2' C A 9 2.905 6.221 0.508 1.00 0.28 O ATOM 272 C1' C A 9 4.113 4.197 1.045 1.00 0.26 C ATOM 273 N1 C A 9 3.550 2.976 1.662 1.00 0.26 N ATOM 274 C2 C A 9 2.764 2.166 0.857 1.00 0.26 C ATOM 275 O2 C A 9 2.614 2.438 -0.331 1.00 0.28 O ATOM 276 N3 C A 9 2.165 1.081 1.414 1.00 0.27 N ATOM 277 C4 C A 9 2.330 0.798 2.709 1.00 0.28 C ATOM 278 N4 C A 9 1.738 -0.283 3.214 1.00 0.30 N ATOM 279 C5 C A 9 3.143 1.626 3.549 1.00 0.28 C ATOM 280 C6 C A 9 3.733 2.701 2.986 1.00 0.27 C ATOM 0 H5' C A 9 7.832 5.795 1.922 1.00 0.39 H new ATOM 0 H5'' C A 9 7.012 7.136 2.697 1.00 0.39 H new ATOM 0 H4' C A 9 5.867 6.391 0.778 1.00 0.32 H new ATOM 0 H3' C A 9 4.443 5.890 3.437 1.00 0.31 H new ATOM 0 H2' C A 9 2.523 5.153 2.193 1.00 0.27 H new ATOM 0 HO2' C A 9 2.139 5.778 0.087 1.00 0.28 H new ATOM 0 H1' C A 9 3.986 4.072 -0.030 1.00 0.26 H new ATOM 0 H41 C A 9 1.854 -0.514 4.201 1.00 0.30 H new ATOM 0 H42 C A 9 1.169 -0.880 2.614 1.00 0.30 H new ATOM 0 H5 C A 9 3.279 1.398 4.596 1.00 0.28 H new ATOM 0 H6 C A 9 4.354 3.348 3.587 1.00 0.27 H new ATOM 292 P A A 10 2.751 8.151 2.908 1.00 0.39 P ATOM 293 OP1 A A 10 2.914 9.596 3.187 1.00 0.46 O ATOM 294 OP2 A A 10 2.240 7.249 3.965 1.00 0.49 O ATOM 295 O5' A A 10 1.800 7.988 1.608 1.00 0.32 O ATOM 296 C5' A A 10 1.827 8.964 0.558 1.00 0.34 C ATOM 297 C4' A A 10 0.940 8.581 -0.629 1.00 0.31 C ATOM 298 O4' A A 10 1.285 7.283 -1.167 1.00 0.32 O ATOM 299 C3' A A 10 -0.526 8.508 -0.243 1.00 0.28 C ATOM 300 O3' A A 10 -1.181 9.773 -0.377 1.00 0.31 O ATOM 301 C2' A A 10 -1.086 7.468 -1.163 1.00 0.28 C ATOM 302 O2' A A 10 -1.500 8.044 -2.407 1.00 0.33 O ATOM 303 C1' A A 10 0.070 6.514 -1.359 1.00 0.29 C ATOM 304 N9 A A 10 -0.013 5.431 -0.371 1.00 0.27 N ATOM 305 C8 A A 10 0.565 5.315 0.835 1.00 0.28 C ATOM 306 N7 A A 10 0.380 4.265 1.535 1.00 0.27 N ATOM 307 C5 A A 10 -0.462 3.547 0.680 1.00 0.25 C ATOM 308 C6 A A 10 -1.068 2.303 0.792 1.00 0.24 C ATOM 309 N6 A A 10 -0.880 1.519 1.852 1.00 0.26 N ATOM 310 N1 A A 10 -1.848 1.894 -0.234 1.00 0.24 N ATOM 311 C2 A A 10 -2.009 2.679 -1.307 1.00 0.25 C ATOM 312 N3 A A 10 -1.475 3.875 -1.517 1.00 0.26 N ATOM 313 C4 A A 10 -0.709 4.254 -0.482 1.00 0.25 C ATOM 0 H5' A A 10 2.853 9.092 0.213 1.00 0.34 H new ATOM 0 H5'' A A 10 1.502 9.926 0.954 1.00 0.34 H new ATOM 0 H4' A A 10 1.106 9.363 -1.370 1.00 0.31 H new ATOM 0 H3' A A 10 -0.672 8.249 0.806 1.00 0.28 H new ATOM 0 H2' A A 10 -1.975 6.981 -0.762 1.00 0.28 H new ATOM 0 HO2' A A 10 -2.459 8.243 -2.372 1.00 0.33 H new ATOM 0 H1' A A 10 0.053 6.064 -2.352 1.00 0.29 H new ATOM 0 H8 A A 10 1.188 6.112 1.213 1.00 0.28 H new ATOM 0 H61 A A 10 -1.341 0.610 1.902 1.00 0.26 H new ATOM 0 H62 A A 10 -0.275 1.827 2.613 1.00 0.26 H new ATOM 0 H2 A A 10 -2.646 2.295 -2.090 1.00 0.25 H new ATOM 325 P C A 11 -1.738 10.524 0.936 1.00 0.33 P ATOM 326 OP1 C A 11 -1.725 11.981 0.679 1.00 0.41 O ATOM 327 OP2 C A 11 -1.037 9.974 2.120 1.00 0.38 O ATOM 328 O5' C A 11 -3.270 10.036 0.995 1.00 0.31 O ATOM 329 C5' C A 11 -4.123 10.215 -0.139 1.00 0.31 C ATOM 330 C4' C A 11 -4.683 8.891 -0.644 1.00 0.25 C ATOM 331 O4' C A 11 -3.669 7.864 -0.704 1.00 0.23 O ATOM 332 C3' C A 11 -5.754 8.349 0.273 1.00 0.24 C ATOM 333 O3' C A 11 -7.046 8.942 0.031 1.00 0.29 O ATOM 334 C2' C A 11 -5.715 6.864 0.022 1.00 0.21 C ATOM 335 O2' C A 11 -6.585 6.478 -1.047 1.00 0.25 O ATOM 336 C1' C A 11 -4.262 6.592 -0.326 1.00 0.19 C ATOM 337 N1 C A 11 -3.583 5.984 0.840 1.00 0.18 N ATOM 338 C2 C A 11 -3.835 4.639 1.090 1.00 0.17 C ATOM 339 O2 C A 11 -4.571 4.001 0.343 1.00 0.19 O ATOM 340 N3 C A 11 -3.256 4.062 2.177 1.00 0.20 N ATOM 341 C4 C A 11 -2.462 4.771 2.988 1.00 0.23 C ATOM 342 N4 C A 11 -1.902 4.172 4.037 1.00 0.29 N ATOM 343 C5 C A 11 -2.200 6.157 2.734 1.00 0.24 C ATOM 344 C6 C A 11 -2.777 6.719 1.656 1.00 0.22 C ATOM 0 H5' C A 11 -3.566 10.702 -0.939 1.00 0.31 H new ATOM 0 H5'' C A 11 -4.945 10.879 0.127 1.00 0.31 H new ATOM 0 H4' C A 11 -5.081 9.113 -1.634 1.00 0.25 H new ATOM 0 H3' C A 11 -5.575 8.589 1.321 1.00 0.24 H new ATOM 0 H2' C A 11 -6.059 6.292 0.884 1.00 0.21 H new ATOM 0 HO2' C A 11 -7.289 5.891 -0.700 1.00 0.25 H new ATOM 0 H1' C A 11 -4.164 5.889 -1.153 1.00 0.19 H new ATOM 0 H41 C A 11 -1.295 4.702 4.663 1.00 0.29 H new ATOM 0 H42 C A 11 -2.080 3.184 4.215 1.00 0.29 H new ATOM 0 H5 C A 11 -1.560 6.732 3.387 1.00 0.24 H new ATOM 0 H6 C A 11 -2.600 7.761 1.436 1.00 0.22 H new ATOM 356 P C A 12 -7.672 9.141 -1.445 1.00 0.33 P ATOM 357 OP1 C A 12 -6.776 8.518 -2.445 1.00 0.41 O ATOM 358 OP2 C A 12 -8.051 10.564 -1.588 1.00 0.34 O ATOM 359 O5' C A 12 -9.029 8.274 -1.350 1.00 0.38 O ATOM 360 C5' C A 12 -9.187 7.039 -2.055 1.00 0.40 C ATOM 361 C4' C A 12 -9.736 5.945 -1.141 1.00 0.40 C ATOM 362 O4' C A 12 -8.721 5.453 -0.248 1.00 0.33 O ATOM 363 C3' C A 12 -10.884 6.475 -0.288 1.00 0.47 C ATOM 364 O3' C A 12 -12.134 5.919 -0.710 1.00 0.60 O ATOM 365 C2' C A 12 -10.564 6.069 1.136 1.00 0.43 C ATOM 366 O2' C A 12 -11.651 5.336 1.718 1.00 0.54 O ATOM 367 C1' C A 12 -9.310 5.211 1.044 1.00 0.34 C ATOM 368 N1 C A 12 -8.344 5.510 2.126 1.00 0.30 N ATOM 369 C2 C A 12 -8.038 4.478 2.999 1.00 0.30 C ATOM 370 O2 C A 12 -8.629 3.404 2.918 1.00 0.33 O ATOM 371 N3 C A 12 -7.081 4.686 3.943 1.00 0.31 N ATOM 372 C4 C A 12 -6.447 5.860 4.029 1.00 0.30 C ATOM 373 N4 C A 12 -5.499 6.029 4.949 1.00 0.36 N ATOM 374 C5 C A 12 -6.760 6.932 3.140 1.00 0.28 C ATOM 375 C6 C A 12 -7.715 6.719 2.209 1.00 0.29 C ATOM 0 H5' C A 12 -8.227 6.726 -2.464 1.00 0.40 H new ATOM 0 H5'' C A 12 -9.861 7.183 -2.899 1.00 0.40 H new ATOM 0 H4' C A 12 -10.084 5.141 -1.789 1.00 0.40 H new ATOM 0 H3' C A 12 -10.982 7.557 -0.381 1.00 0.47 H new ATOM 0 H2' C A 12 -10.408 6.937 1.776 1.00 0.43 H new ATOM 0 HO2' C A 12 -12.242 5.008 1.008 1.00 0.54 H new ATOM 0 HO3' C A 12 -12.865 6.343 -0.213 1.00 0.60 H new ATOM 0 H1' C A 12 -9.577 4.161 1.163 1.00 0.34 H new ATOM 0 H41 C A 12 -5.011 6.922 5.020 1.00 0.36 H new ATOM 0 H42 C A 12 -5.261 5.266 5.582 1.00 0.36 H new ATOM 0 H5 C A 12 -6.250 7.882 3.209 1.00 0.28 H new ATOM 0 H6 C A 12 -7.983 7.511 1.525 1.00 0.29 H new TER 388 C A 12