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 -3:sc= 0.459 USER MOD Single : A 1 G O5' : rot -59:sc= -1.87! USER MOD Single : A 2 G O2' : rot -150:sc= 0.07 USER MOD Single : A 3 U O2' : rot -15:sc= 0.22 USER MOD Single : A 4 G O2' : rot -11:sc= 0.286 USER MOD Single : A 5 U O2' : rot -45:sc= 0.524 USER MOD Single : A 6 G O2' : rot -23:sc= -1.77! USER MOD Single : A 7 A O2' : rot -147:sc= -2.27! USER MOD Single : A 8 A O2' : rot -58:sc= -3.88! USER MOD Single : A 9 C O2' : rot -169:sc= -2.71! USER MOD Single : A 10 A O2' : rot -97:sc= 0.159 USER MOD Single : A 11 C O2' : rot -32:sc= 0.234 USER MOD Single : A 12 C O2' : rot -6:sc= 0.366 USER MOD Single : A 12 C O3' : rot 180:sc= 0.284 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.519 -2.354 7.082 1.00 0.63 O ATOM 2 C5' G A 1 -3.833 -3.708 7.416 1.00 0.68 C ATOM 3 C4' G A 1 -5.211 -3.841 8.066 1.00 0.67 C ATOM 4 O4' G A 1 -5.528 -2.684 8.869 1.00 0.70 O ATOM 5 C3' G A 1 -6.292 -3.975 7.005 1.00 0.55 C ATOM 6 O3' G A 1 -7.062 -5.156 7.233 1.00 0.59 O ATOM 7 C2' G A 1 -7.135 -2.731 7.095 1.00 0.53 C ATOM 8 O2' G A 1 -8.483 -3.059 7.450 1.00 0.58 O ATOM 9 C1' G A 1 -6.488 -1.873 8.167 1.00 0.61 C ATOM 10 N9 G A 1 -5.821 -0.682 7.604 1.00 0.56 N ATOM 11 C8 G A 1 -4.627 -0.143 7.914 1.00 0.61 C ATOM 12 N7 G A 1 -4.263 0.965 7.388 1.00 0.57 N ATOM 13 C5 G A 1 -5.378 1.239 6.585 1.00 0.48 C ATOM 14 C6 G A 1 -5.623 2.334 5.721 1.00 0.42 C ATOM 15 O6 G A 1 -4.904 3.300 5.495 1.00 0.43 O ATOM 16 N1 G A 1 -6.855 2.224 5.096 1.00 0.38 N ATOM 17 C2 G A 1 -7.750 1.192 5.277 1.00 0.40 C ATOM 18 N2 G A 1 -8.875 1.262 4.574 1.00 0.41 N ATOM 19 N3 G A 1 -7.536 0.154 6.090 1.00 0.44 N ATOM 20 C4 G A 1 -6.339 0.234 6.711 1.00 0.48 C ATOM 0 H5' G A 1 -3.074 -4.098 8.095 1.00 0.68 H new ATOM 0 H5'' G A 1 -3.798 -4.320 6.514 1.00 0.68 H new ATOM 0 H4' G A 1 -5.178 -4.730 8.695 1.00 0.67 H new ATOM 0 H3' G A 1 -5.869 -4.070 6.005 1.00 0.55 H new ATOM 0 H2' G A 1 -7.183 -2.208 6.140 1.00 0.53 H new ATOM 0 HO2' G A 1 -8.576 -4.032 7.518 1.00 0.58 H new ATOM 0 HO5' G A 1 -4.190 -2.007 6.458 1.00 0.63 H new ATOM 0 H1' G A 1 -7.265 -1.511 8.840 1.00 0.61 H new ATOM 0 H8 G A 1 -3.973 -0.648 8.610 1.00 0.61 H new ATOM 0 H1 G A 1 -7.121 2.967 4.450 1.00 0.38 H new ATOM 0 H21 G A 1 -9.579 0.529 4.663 1.00 0.41 H new ATOM 0 H22 G A 1 -9.035 2.049 3.945 1.00 0.41 H new ATOM 33 P G A 2 -6.427 -6.589 6.866 1.00 0.62 P ATOM 34 OP1 G A 2 -7.498 -7.606 6.949 1.00 0.64 O ATOM 35 OP2 G A 2 -5.181 -6.761 7.647 1.00 0.78 O ATOM 36 O5' G A 2 -6.029 -6.391 5.316 1.00 0.50 O ATOM 37 C5' G A 2 -7.001 -6.636 4.302 1.00 0.40 C ATOM 38 C4' G A 2 -7.033 -5.551 3.225 1.00 0.34 C ATOM 39 O4' G A 2 -7.116 -4.209 3.760 1.00 0.32 O ATOM 40 C3' G A 2 -5.801 -5.556 2.347 1.00 0.35 C ATOM 41 O3' G A 2 -5.851 -6.600 1.362 1.00 0.38 O ATOM 42 C2' G A 2 -5.856 -4.187 1.728 1.00 0.31 C ATOM 43 O2' G A 2 -6.646 -4.184 0.533 1.00 0.31 O ATOM 44 C1' G A 2 -6.485 -3.316 2.801 1.00 0.29 C ATOM 45 N9 G A 2 -5.487 -2.396 3.383 1.00 0.31 N ATOM 46 C8 G A 2 -4.630 -2.534 4.406 1.00 0.38 C ATOM 47 N7 G A 2 -3.827 -1.575 4.705 1.00 0.40 N ATOM 48 C5 G A 2 -4.189 -0.631 3.731 1.00 0.32 C ATOM 49 C6 G A 2 -3.684 0.678 3.483 1.00 0.31 C ATOM 50 O6 G A 2 -2.802 1.287 4.085 1.00 0.36 O ATOM 51 N1 G A 2 -4.328 1.274 2.405 1.00 0.26 N ATOM 52 C2 G A 2 -5.330 0.693 1.660 1.00 0.24 C ATOM 53 N2 G A 2 -5.820 1.413 0.661 1.00 0.27 N ATOM 54 N3 G A 2 -5.810 -0.527 1.883 1.00 0.23 N ATOM 55 C4 G A 2 -5.204 -1.132 2.923 1.00 0.27 C ATOM 0 H5' G A 2 -7.986 -6.711 4.762 1.00 0.40 H new ATOM 0 H5'' G A 2 -6.794 -7.598 3.834 1.00 0.40 H new ATOM 0 H4' G A 2 -7.929 -5.798 2.656 1.00 0.34 H new ATOM 0 H3' G A 2 -4.875 -5.751 2.888 1.00 0.35 H new ATOM 0 H2' G A 2 -4.871 -3.832 1.427 1.00 0.31 H new ATOM 0 HO2' G A 2 -6.305 -3.503 -0.083 1.00 0.31 H new ATOM 0 H1' G A 2 -7.252 -2.656 2.396 1.00 0.29 H new ATOM 0 H8 G A 2 -4.614 -3.450 4.978 1.00 0.38 H new ATOM 0 H1 G A 2 -4.035 2.216 2.145 1.00 0.26 H new ATOM 0 H21 G A 2 -6.564 1.033 0.075 1.00 0.27 H new ATOM 0 H22 G A 2 -5.453 2.347 0.478 1.00 0.27 H new ATOM 67 P U A 3 -4.712 -6.729 0.226 1.00 0.44 P ATOM 68 OP1 U A 3 -4.779 -8.092 -0.345 1.00 0.55 O ATOM 69 OP2 U A 3 -3.436 -6.221 0.779 1.00 0.50 O ATOM 70 O5' U A 3 -5.225 -5.682 -0.886 1.00 0.38 O ATOM 71 C5' U A 3 -6.321 -6.008 -1.749 1.00 0.39 C ATOM 72 C4' U A 3 -6.394 -5.056 -2.938 1.00 0.37 C ATOM 73 O4' U A 3 -6.708 -3.700 -2.520 1.00 0.35 O ATOM 74 C3' U A 3 -5.060 -4.989 -3.654 1.00 0.35 C ATOM 75 O3' U A 3 -4.947 -5.945 -4.720 1.00 0.38 O ATOM 76 C2' U A 3 -5.003 -3.583 -4.159 1.00 0.35 C ATOM 77 O2' U A 3 -5.595 -3.480 -5.458 1.00 0.39 O ATOM 78 C1' U A 3 -5.776 -2.778 -3.146 1.00 0.34 C ATOM 79 N1 U A 3 -4.872 -2.174 -2.139 1.00 0.32 N ATOM 80 C2 U A 3 -4.420 -0.875 -2.333 1.00 0.32 C ATOM 81 O2 U A 3 -4.704 -0.221 -3.332 1.00 0.34 O ATOM 82 N3 U A 3 -3.619 -0.358 -1.324 1.00 0.30 N ATOM 83 C4 U A 3 -3.252 -1.013 -0.169 1.00 0.30 C ATOM 84 O4 U A 3 -2.571 -0.457 0.673 1.00 0.30 O ATOM 85 C5 U A 3 -3.758 -2.349 -0.063 1.00 0.31 C ATOM 86 C6 U A 3 -4.531 -2.876 -1.033 1.00 0.32 C ATOM 0 H5' U A 3 -7.254 -5.964 -1.187 1.00 0.39 H new ATOM 0 H5'' U A 3 -6.213 -7.032 -2.107 1.00 0.39 H new ATOM 0 H4' U A 3 -7.176 -5.444 -3.591 1.00 0.37 H new ATOM 0 H3' U A 3 -4.230 -5.240 -2.994 1.00 0.35 H new ATOM 0 H2' U A 3 -3.978 -3.228 -4.268 1.00 0.35 H new ATOM 0 HO2' U A 3 -5.702 -4.376 -5.841 1.00 0.39 H new ATOM 0 H1' U A 3 -6.300 -1.950 -3.623 1.00 0.34 H new ATOM 0 H3 U A 3 -3.271 0.593 -1.449 1.00 0.30 H new ATOM 0 H5 U A 3 -3.517 -2.942 0.807 1.00 0.31 H new ATOM 0 H6 U A 3 -4.889 -3.889 -0.925 1.00 0.32 H new ATOM 97 P G A 4 -3.752 -7.040 -4.714 1.00 0.36 P ATOM 98 OP1 G A 4 -4.015 -8.011 -5.800 1.00 0.38 O ATOM 99 OP2 G A 4 -3.581 -7.520 -3.324 1.00 0.42 O ATOM 100 O5' G A 4 -2.443 -6.175 -5.114 1.00 0.31 O ATOM 101 C5' G A 4 -2.368 -5.522 -6.387 1.00 0.30 C ATOM 102 C4' G A 4 -2.193 -4.008 -6.245 1.00 0.31 C ATOM 103 O4' G A 4 -2.769 -3.541 -5.018 1.00 0.35 O ATOM 104 C3' G A 4 -0.742 -3.577 -6.191 1.00 0.27 C ATOM 105 O3' G A 4 -0.185 -3.383 -7.496 1.00 0.29 O ATOM 106 C2' G A 4 -0.781 -2.285 -5.417 1.00 0.34 C ATOM 107 O2' G A 4 -0.858 -1.162 -6.303 1.00 0.42 O ATOM 108 C1' G A 4 -2.034 -2.391 -4.556 1.00 0.34 C ATOM 109 N9 G A 4 -1.661 -2.499 -3.142 1.00 0.33 N ATOM 110 C8 G A 4 -1.946 -3.430 -2.222 1.00 0.34 C ATOM 111 N7 G A 4 -1.482 -3.301 -1.024 1.00 0.34 N ATOM 112 C5 G A 4 -0.783 -2.086 -1.154 1.00 0.34 C ATOM 113 C6 G A 4 -0.034 -1.336 -0.199 1.00 0.35 C ATOM 114 O6 G A 4 0.175 -1.589 0.987 1.00 0.37 O ATOM 115 N1 G A 4 0.485 -0.175 -0.766 1.00 0.35 N ATOM 116 C2 G A 4 0.310 0.214 -2.074 1.00 0.35 C ATOM 117 N2 G A 4 0.852 1.365 -2.426 1.00 0.36 N ATOM 118 N3 G A 4 -0.379 -0.476 -2.967 1.00 0.34 N ATOM 119 C4 G A 4 -0.897 -1.602 -2.452 1.00 0.33 C ATOM 0 H5' G A 4 -3.274 -5.731 -6.955 1.00 0.30 H new ATOM 0 H5'' G A 4 -1.534 -5.932 -6.956 1.00 0.30 H new ATOM 0 H4' G A 4 -2.680 -3.590 -7.126 1.00 0.31 H new ATOM 0 H3' G A 4 -0.107 -4.333 -5.729 1.00 0.27 H new ATOM 0 H2' G A 4 0.117 -2.134 -4.818 1.00 0.34 H new ATOM 0 HO2' G A 4 -0.699 -1.460 -7.223 1.00 0.42 H new ATOM 0 H1' G A 4 -2.661 -1.503 -4.643 1.00 0.34 H new ATOM 0 H8 G A 4 -2.559 -4.281 -2.480 1.00 0.34 H new ATOM 0 H1 G A 4 1.038 0.435 -0.164 1.00 0.35 H new ATOM 0 H21 G A 4 0.754 1.703 -3.383 1.00 0.36 H new ATOM 0 H22 G A 4 1.369 1.916 -1.741 1.00 0.36 H new ATOM 131 P U A 5 1.300 -3.915 -7.828 1.00 0.34 P ATOM 132 OP1 U A 5 1.911 -2.994 -8.812 1.00 0.49 O ATOM 133 OP2 U A 5 1.215 -5.362 -8.129 1.00 0.58 O ATOM 134 O5' U A 5 2.068 -3.738 -6.421 1.00 0.33 O ATOM 135 C5' U A 5 2.602 -2.467 -6.027 1.00 0.37 C ATOM 136 C4' U A 5 3.076 -2.484 -4.575 1.00 0.34 C ATOM 137 O4' U A 5 1.976 -2.749 -3.675 1.00 0.31 O ATOM 138 C3' U A 5 4.118 -3.569 -4.357 1.00 0.36 C ATOM 139 O3' U A 5 5.445 -3.021 -4.369 1.00 0.46 O ATOM 140 C2' U A 5 3.776 -4.182 -3.026 1.00 0.35 C ATOM 141 O2' U A 5 4.626 -3.675 -1.992 1.00 0.42 O ATOM 142 C1' U A 5 2.325 -3.821 -2.771 1.00 0.31 C ATOM 143 N1 U A 5 1.456 -5.000 -2.979 1.00 0.33 N ATOM 144 C2 U A 5 0.794 -5.507 -1.876 1.00 0.40 C ATOM 145 O2 U A 5 0.907 -5.010 -0.759 1.00 0.46 O ATOM 146 N3 U A 5 0.007 -6.619 -2.099 1.00 0.46 N ATOM 147 C4 U A 5 -0.175 -7.261 -3.308 1.00 0.45 C ATOM 148 O4 U A 5 -0.893 -8.253 -3.386 1.00 0.53 O ATOM 149 C5 U A 5 0.551 -6.667 -4.406 1.00 0.40 C ATOM 150 C6 U A 5 1.329 -5.575 -4.214 1.00 0.35 C ATOM 0 H5' U A 5 1.841 -1.697 -6.153 1.00 0.37 H new ATOM 0 H5'' U A 5 3.434 -2.203 -6.679 1.00 0.37 H new ATOM 0 H4' U A 5 3.503 -1.502 -4.370 1.00 0.34 H new ATOM 0 H3' U A 5 4.106 -4.315 -5.152 1.00 0.36 H new ATOM 0 H2' U A 5 3.922 -5.262 -3.032 1.00 0.35 H new ATOM 0 HO2' U A 5 5.554 -3.666 -2.306 1.00 0.42 H new ATOM 0 H1' U A 5 2.184 -3.497 -1.740 1.00 0.31 H new ATOM 0 H3 U A 5 -0.487 -7.003 -1.294 1.00 0.46 H new ATOM 0 H5 U A 5 0.473 -7.099 -5.393 1.00 0.40 H new ATOM 0 H6 U A 5 1.860 -5.150 -5.053 1.00 0.35 H new ATOM 161 P G A 6 6.303 -2.952 -5.738 1.00 0.59 P ATOM 162 OP1 G A 6 7.008 -1.647 -5.774 1.00 0.65 O ATOM 163 OP2 G A 6 5.422 -3.338 -6.863 1.00 0.66 O ATOM 164 O5' G A 6 7.410 -4.113 -5.533 1.00 0.63 O ATOM 165 C5' G A 6 8.460 -3.937 -4.576 1.00 0.60 C ATOM 166 C4' G A 6 8.180 -4.669 -3.261 1.00 0.54 C ATOM 167 O4' G A 6 6.764 -4.772 -3.013 1.00 0.47 O ATOM 168 C3' G A 6 8.724 -6.090 -3.265 1.00 0.66 C ATOM 169 O3' G A 6 10.063 -6.177 -2.715 1.00 0.71 O ATOM 170 C2' G A 6 7.730 -6.889 -2.455 1.00 0.66 C ATOM 171 O2' G A 6 8.211 -7.175 -1.137 1.00 0.71 O ATOM 172 C1' G A 6 6.477 -6.051 -2.404 1.00 0.53 C ATOM 173 N9 G A 6 5.393 -6.778 -3.091 1.00 0.53 N ATOM 174 C8 G A 6 4.495 -7.620 -2.573 1.00 0.57 C ATOM 175 N7 G A 6 3.638 -8.202 -3.327 1.00 0.59 N ATOM 176 C5 G A 6 4.007 -7.681 -4.573 1.00 0.57 C ATOM 177 C6 G A 6 3.456 -7.924 -5.858 1.00 0.64 C ATOM 178 O6 G A 6 2.514 -8.651 -6.159 1.00 0.67 O ATOM 179 N1 G A 6 4.121 -7.209 -6.840 1.00 0.72 N ATOM 180 C2 G A 6 5.186 -6.361 -6.622 1.00 0.73 C ATOM 181 N2 G A 6 5.698 -5.778 -7.699 1.00 0.88 N ATOM 182 N3 G A 6 5.714 -6.120 -5.420 1.00 0.64 N ATOM 183 C4 G A 6 5.087 -6.805 -4.441 1.00 0.56 C ATOM 0 H5' G A 6 8.591 -2.874 -4.376 1.00 0.60 H new ATOM 0 H5'' G A 6 9.397 -4.300 -4.998 1.00 0.60 H new ATOM 0 H4' G A 6 8.675 -4.079 -2.489 1.00 0.54 H new ATOM 0 H3' G A 6 8.826 -6.472 -4.281 1.00 0.66 H new ATOM 0 H2' G A 6 7.551 -7.861 -2.914 1.00 0.66 H new ATOM 0 HO2' G A 6 9.190 -7.139 -1.131 1.00 0.71 H new ATOM 0 H1' G A 6 6.150 -5.869 -1.380 1.00 0.53 H new ATOM 0 H8 G A 6 4.491 -7.812 -1.510 1.00 0.57 H new ATOM 0 H1 G A 6 3.797 -7.318 -7.801 1.00 0.72 H new ATOM 0 H21 G A 6 6.488 -5.139 -7.606 1.00 0.88 H new ATOM 0 H22 G A 6 5.302 -5.969 -8.619 1.00 0.88 H new ATOM 195 P A A 7 10.632 -5.179 -1.567 1.00 0.60 P ATOM 196 OP1 A A 7 10.134 -3.813 -1.834 1.00 0.52 O ATOM 197 OP2 A A 7 12.088 -5.412 -1.445 1.00 0.69 O ATOM 198 O5' A A 7 9.927 -5.738 -0.222 1.00 0.59 O ATOM 199 C5' A A 7 8.799 -5.077 0.375 1.00 0.51 C ATOM 200 C4' A A 7 9.223 -3.956 1.324 1.00 0.45 C ATOM 201 O4' A A 7 9.774 -2.852 0.585 1.00 0.38 O ATOM 202 C3' A A 7 8.029 -3.395 2.074 1.00 0.45 C ATOM 203 O3' A A 7 8.379 -2.888 3.384 1.00 0.50 O ATOM 204 C2' A A 7 7.524 -2.322 1.166 1.00 0.37 C ATOM 205 O2' A A 7 6.918 -1.280 1.919 1.00 0.41 O ATOM 206 C1' A A 7 8.768 -1.823 0.458 1.00 0.32 C ATOM 207 N9 A A 7 8.528 -1.544 -0.964 1.00 0.34 N ATOM 208 C8 A A 7 7.622 -2.040 -1.835 1.00 0.39 C ATOM 209 N7 A A 7 7.649 -1.651 -3.059 1.00 0.47 N ATOM 210 C5 A A 7 8.738 -0.766 -3.018 1.00 0.50 C ATOM 211 C6 A A 7 9.361 0.028 -3.988 1.00 0.63 C ATOM 212 N6 A A 7 8.968 0.070 -5.259 1.00 0.75 N ATOM 213 N1 A A 7 10.412 0.773 -3.595 1.00 0.66 N ATOM 214 C2 A A 7 10.827 0.738 -2.324 1.00 0.56 C ATOM 215 N3 A A 7 10.313 0.031 -1.333 1.00 0.44 N ATOM 216 C4 A A 7 9.269 -0.702 -1.746 1.00 0.41 C ATOM 0 H5' A A 7 8.200 -5.806 0.921 1.00 0.51 H new ATOM 0 H5'' A A 7 8.164 -4.666 -0.410 1.00 0.51 H new ATOM 0 H4' A A 7 9.952 -4.388 2.009 1.00 0.45 H new ATOM 0 H3' A A 7 7.278 -4.155 2.289 1.00 0.45 H new ATOM 0 H2' A A 7 6.764 -2.679 0.470 1.00 0.37 H new ATOM 0 HO2' A A 7 6.177 -0.894 1.406 1.00 0.41 H new ATOM 0 H1' A A 7 9.085 -0.885 0.913 1.00 0.32 H new ATOM 0 H8 A A 7 6.883 -2.756 -1.506 1.00 0.39 H new ATOM 0 H61 A A 7 9.458 0.667 -5.925 1.00 0.75 H new ATOM 0 H62 A A 7 8.176 -0.495 -5.567 1.00 0.75 H new ATOM 0 H2 A A 7 11.678 1.357 -2.080 1.00 0.56 H new ATOM 228 P A A 8 9.586 -1.840 3.640 1.00 0.46 P ATOM 229 OP1 A A 8 10.793 -2.329 2.938 1.00 0.59 O ATOM 230 OP2 A A 8 9.648 -1.564 5.092 1.00 0.46 O ATOM 231 O5' A A 8 9.073 -0.499 2.901 1.00 0.37 O ATOM 232 C5' A A 8 10.000 0.545 2.571 1.00 0.33 C ATOM 233 C4' A A 8 9.305 1.885 2.331 1.00 0.28 C ATOM 234 O4' A A 8 8.324 1.805 1.259 1.00 0.26 O ATOM 235 C3' A A 8 8.562 2.353 3.568 1.00 0.34 C ATOM 236 O3' A A 8 8.699 3.784 3.712 1.00 0.36 O ATOM 237 C2' A A 8 7.139 1.926 3.314 1.00 0.35 C ATOM 238 O2' A A 8 6.172 2.745 3.977 1.00 0.42 O ATOM 239 C1' A A 8 6.995 1.993 1.808 1.00 0.29 C ATOM 240 N9 A A 8 6.015 0.998 1.335 1.00 0.30 N ATOM 241 C8 A A 8 5.092 0.328 2.039 1.00 0.37 C ATOM 242 N7 A A 8 4.246 -0.422 1.447 1.00 0.40 N ATOM 243 C5 A A 8 4.647 -0.244 0.119 1.00 0.35 C ATOM 244 C6 A A 8 4.165 -0.759 -1.082 1.00 0.40 C ATOM 245 N6 A A 8 3.112 -1.561 -1.153 1.00 0.48 N ATOM 246 N1 A A 8 4.785 -0.390 -2.209 1.00 0.42 N ATOM 247 C2 A A 8 5.823 0.443 -2.168 1.00 0.38 C ATOM 248 N3 A A 8 6.369 1.005 -1.087 1.00 0.32 N ATOM 249 C4 A A 8 5.730 0.617 0.036 1.00 0.30 C ATOM 0 H5' A A 8 10.558 0.263 1.678 1.00 0.33 H new ATOM 0 H5'' A A 8 10.724 0.653 3.379 1.00 0.33 H new ATOM 0 H4' A A 8 10.099 2.583 2.067 1.00 0.28 H new ATOM 0 H3' A A 8 8.941 1.933 4.500 1.00 0.34 H new ATOM 0 H2' A A 8 6.948 0.931 3.715 1.00 0.35 H new ATOM 0 HO2' A A 8 6.342 2.736 4.942 1.00 0.42 H new ATOM 0 H1' A A 8 6.602 2.953 1.474 1.00 0.29 H new ATOM 0 H8 A A 8 5.064 0.423 3.114 1.00 0.37 H new ATOM 0 H61 A A 8 2.798 -1.912 -2.058 1.00 0.48 H new ATOM 0 H62 A A 8 2.616 -1.827 -0.303 1.00 0.48 H new ATOM 0 H2 A A 8 6.274 0.692 -3.117 1.00 0.38 H new ATOM 261 P C A 9 7.827 4.641 4.769 1.00 0.39 P ATOM 262 OP1 C A 9 8.597 5.852 5.133 1.00 0.46 O ATOM 263 OP2 C A 9 7.345 3.725 5.831 1.00 0.45 O ATOM 264 O5' C A 9 6.560 5.094 3.877 1.00 0.39 O ATOM 265 C5' C A 9 6.764 5.759 2.628 1.00 0.39 C ATOM 266 C4' C A 9 5.605 5.559 1.648 1.00 0.37 C ATOM 267 O4' C A 9 5.401 4.178 1.277 1.00 0.36 O ATOM 268 C3' C A 9 4.281 6.003 2.220 1.00 0.35 C ATOM 269 O3' C A 9 4.094 7.428 2.173 1.00 0.38 O ATOM 270 C2' C A 9 3.291 5.289 1.355 1.00 0.34 C ATOM 271 O2' C A 9 2.950 6.077 0.210 1.00 0.37 O ATOM 272 C1' C A 9 3.997 4.020 0.927 1.00 0.35 C ATOM 273 N1 C A 9 3.362 2.864 1.593 1.00 0.34 N ATOM 274 C2 C A 9 2.569 2.038 0.810 1.00 0.33 C ATOM 275 O2 C A 9 2.460 2.249 -0.393 1.00 0.35 O ATOM 276 N3 C A 9 1.920 1.005 1.408 1.00 0.34 N ATOM 277 C4 C A 9 2.044 0.785 2.721 1.00 0.35 C ATOM 278 N4 C A 9 1.410 -0.251 3.265 1.00 0.37 N ATOM 279 C5 C A 9 2.860 1.633 3.537 1.00 0.36 C ATOM 280 C6 C A 9 3.499 2.656 2.933 1.00 0.35 C ATOM 0 H5' C A 9 7.684 5.392 2.173 1.00 0.39 H new ATOM 0 H5'' C A 9 6.900 6.825 2.808 1.00 0.39 H new ATOM 0 H4' C A 9 5.900 6.159 0.787 1.00 0.37 H new ATOM 0 H3' C A 9 4.189 5.768 3.280 1.00 0.35 H new ATOM 0 H2' C A 9 2.359 5.090 1.884 1.00 0.34 H new ATOM 0 HO2' C A 9 2.179 5.678 -0.244 1.00 0.37 H new ATOM 0 H1' C A 9 3.922 3.839 -0.145 1.00 0.35 H new ATOM 0 H41 C A 9 1.494 -0.433 4.265 1.00 0.37 H new ATOM 0 H42 C A 9 0.840 -0.863 2.682 1.00 0.37 H new ATOM 0 H5 C A 9 2.960 1.460 4.598 1.00 0.36 H new ATOM 0 H6 C A 9 4.124 3.316 3.516 1.00 0.35 H new ATOM 292 P A A 10 2.663 8.085 2.551 1.00 0.39 P ATOM 293 OP1 A A 10 2.863 9.538 2.759 1.00 0.46 O ATOM 294 OP2 A A 10 2.046 7.266 3.619 1.00 0.39 O ATOM 295 O5' A A 10 1.799 7.878 1.198 1.00 0.37 O ATOM 296 C5' A A 10 1.921 8.801 0.107 1.00 0.41 C ATOM 297 C4' A A 10 1.054 8.413 -1.095 1.00 0.40 C ATOM 298 O4' A A 10 1.375 7.093 -1.594 1.00 0.41 O ATOM 299 C3' A A 10 -0.422 8.390 -0.744 1.00 0.34 C ATOM 300 O3' A A 10 -1.040 9.668 -0.922 1.00 0.37 O ATOM 301 C2' A A 10 -0.989 7.343 -1.653 1.00 0.35 C ATOM 302 O2' A A 10 -1.355 7.902 -2.919 1.00 0.41 O ATOM 303 C1' A A 10 0.145 6.352 -1.797 1.00 0.38 C ATOM 304 N9 A A 10 0.010 5.302 -0.780 1.00 0.34 N ATOM 305 C8 A A 10 0.525 5.234 0.457 1.00 0.34 C ATOM 306 N7 A A 10 0.291 4.220 1.194 1.00 0.32 N ATOM 307 C5 A A 10 -0.516 3.472 0.331 1.00 0.30 C ATOM 308 C6 A A 10 -1.142 2.241 0.474 1.00 0.29 C ATOM 309 N6 A A 10 -1.022 1.512 1.581 1.00 0.30 N ATOM 310 N1 A A 10 -1.874 1.789 -0.570 1.00 0.29 N ATOM 311 C2 A A 10 -1.971 2.521 -1.688 1.00 0.31 C ATOM 312 N3 A A 10 -1.413 3.702 -1.929 1.00 0.32 N ATOM 313 C4 A A 10 -0.695 4.125 -0.874 1.00 0.32 C ATOM 0 H5' A A 10 2.964 8.853 -0.204 1.00 0.41 H new ATOM 0 H5'' A A 10 1.639 9.798 0.446 1.00 0.41 H new ATOM 0 H4' A A 10 1.262 9.171 -1.850 1.00 0.40 H new ATOM 0 H3' A A 10 -0.599 8.161 0.307 1.00 0.34 H new ATOM 0 H2' A A 10 -1.900 6.889 -1.264 1.00 0.35 H new ATOM 0 HO2' A A 10 -2.314 8.102 -2.923 1.00 0.41 H new ATOM 0 H1' A A 10 0.138 5.876 -2.777 1.00 0.38 H new ATOM 0 H8 A A 10 1.139 6.040 0.830 1.00 0.34 H new ATOM 0 H61 A A 10 -1.496 0.612 1.653 1.00 0.30 H new ATOM 0 H62 A A 10 -0.456 1.854 2.358 1.00 0.30 H new ATOM 0 H2 A A 10 -2.571 2.104 -2.483 1.00 0.31 H new ATOM 325 P C A 11 -1.648 10.445 0.356 1.00 0.35 P ATOM 326 OP1 C A 11 -1.640 11.895 0.064 1.00 0.40 O ATOM 327 OP2 C A 11 -0.978 9.931 1.573 1.00 0.44 O ATOM 328 O5' C A 11 -3.178 9.942 0.378 1.00 0.33 O ATOM 329 C5' C A 11 -3.995 10.079 -0.787 1.00 0.38 C ATOM 330 C4' C A 11 -4.550 8.736 -1.252 1.00 0.36 C ATOM 331 O4' C A 11 -3.552 7.695 -1.183 1.00 0.31 O ATOM 332 C3' C A 11 -5.693 8.264 -0.384 1.00 0.36 C ATOM 333 O3' C A 11 -6.942 8.817 -0.816 1.00 0.46 O ATOM 334 C2' C A 11 -5.658 6.772 -0.550 1.00 0.33 C ATOM 335 O2' C A 11 -6.456 6.363 -1.666 1.00 0.41 O ATOM 336 C1' C A 11 -4.190 6.456 -0.782 1.00 0.28 C ATOM 337 N1 C A 11 -3.574 5.878 0.435 1.00 0.23 N ATOM 338 C2 C A 11 -3.927 4.576 0.761 1.00 0.23 C ATOM 339 O2 C A 11 -4.740 3.970 0.071 1.00 0.27 O ATOM 340 N3 C A 11 -3.355 4.002 1.853 1.00 0.24 N ATOM 341 C4 C A 11 -2.472 4.675 2.598 1.00 0.25 C ATOM 342 N4 C A 11 -1.914 4.072 3.645 1.00 0.32 N ATOM 343 C5 C A 11 -2.105 6.021 2.272 1.00 0.26 C ATOM 344 C6 C A 11 -2.678 6.582 1.188 1.00 0.24 C ATOM 0 H5' C A 11 -3.410 10.528 -1.590 1.00 0.38 H new ATOM 0 H5'' C A 11 -4.820 10.759 -0.574 1.00 0.38 H new ATOM 0 H4' C A 11 -4.880 8.905 -2.277 1.00 0.36 H new ATOM 0 H3' C A 11 -5.596 8.575 0.656 1.00 0.36 H new ATOM 0 H2' C A 11 -6.063 6.246 0.314 1.00 0.33 H new ATOM 0 HO2' C A 11 -7.211 6.979 -1.771 1.00 0.41 H new ATOM 0 H1' C A 11 -4.067 5.705 -1.562 1.00 0.28 H new ATOM 0 H41 C A 11 -1.239 4.573 4.222 1.00 0.32 H new ATOM 0 H42 C A 11 -2.162 3.108 3.870 1.00 0.32 H new ATOM 0 H5 C A 11 -1.394 6.567 2.874 1.00 0.26 H new ATOM 0 H6 C A 11 -2.427 7.596 0.913 1.00 0.24 H new ATOM 356 P C A 12 -7.652 9.997 0.022 1.00 0.50 P ATOM 357 OP1 C A 12 -8.072 11.053 -0.925 1.00 0.49 O ATOM 358 OP2 C A 12 -6.784 10.336 1.174 1.00 0.62 O ATOM 359 O5' C A 12 -8.976 9.269 0.585 1.00 0.57 O ATOM 360 C5' C A 12 -9.936 8.701 -0.316 1.00 0.63 C ATOM 361 C4' C A 12 -10.361 7.302 0.124 1.00 0.61 C ATOM 362 O4' C A 12 -9.223 6.425 0.231 1.00 0.50 O ATOM 363 C3' C A 12 -11.041 7.337 1.482 1.00 0.66 C ATOM 364 O3' C A 12 -12.465 7.298 1.348 1.00 0.80 O ATOM 365 C2' C A 12 -10.529 6.128 2.225 1.00 0.59 C ATOM 366 O2' C A 12 -11.535 5.108 2.301 1.00 0.65 O ATOM 367 C1' C A 12 -9.320 5.637 1.438 1.00 0.47 C ATOM 368 N1 C A 12 -8.084 5.751 2.243 1.00 0.40 N ATOM 369 C2 C A 12 -7.724 4.661 3.024 1.00 0.37 C ATOM 370 O2 C A 12 -8.440 3.662 3.064 1.00 0.40 O ATOM 371 N3 C A 12 -6.573 4.733 3.746 1.00 0.35 N ATOM 372 C4 C A 12 -5.806 5.831 3.705 1.00 0.35 C ATOM 373 N4 C A 12 -4.681 5.870 4.415 1.00 0.38 N ATOM 374 C5 C A 12 -6.174 6.958 2.905 1.00 0.37 C ATOM 375 C6 C A 12 -7.315 6.876 2.195 1.00 0.40 C ATOM 0 H5' C A 12 -9.511 8.654 -1.319 1.00 0.63 H new ATOM 0 H5'' C A 12 -10.812 9.348 -0.370 1.00 0.63 H new ATOM 0 H4' C A 12 -11.053 6.934 -0.634 1.00 0.61 H new ATOM 0 H3' C A 12 -10.816 8.259 2.018 1.00 0.66 H new ATOM 0 H2' C A 12 -10.263 6.377 3.252 1.00 0.59 H new ATOM 0 HO2' C A 12 -12.378 5.453 1.939 1.00 0.65 H new ATOM 0 HO3' C A 12 -12.878 7.320 2.236 1.00 0.80 H new ATOM 0 H1' C A 12 -9.442 4.583 1.187 1.00 0.47 H new ATOM 0 H41 C A 12 -4.091 6.701 4.390 1.00 0.38 H new ATOM 0 H42 C A 12 -4.409 5.068 4.984 1.00 0.38 H new ATOM 0 H5 C A 12 -5.558 7.844 2.872 1.00 0.37 H new ATOM 0 H6 C A 12 -7.624 7.709 1.582 1.00 0.40 H new TER 388 C A 12