USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 180 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 -20:sc= 0.23 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -21:sc= 0.127 USER MOD Single : A 3 A O2' : rot -16:sc= 0.393 USER MOD Single : A 4 G O2' : rot -21:sc= 0.395 USER MOD Single : A 5 U O2' : rot -21:sc= 0.429 USER MOD Single : A 6 G O2' : rot -25:sc= 0.0514 USER MOD Single : A 7 G O2' : rot -64:sc= 1.03 USER MOD Single : A 8 C O2' : rot -20:sc= 0.169 USER MOD Single : A 8 C O3' : rot 180:sc= 0.203 USER MOD Single : B 101 G O2' : rot -122:sc= 0.553 USER MOD Single : B 101 G O5' : rot -32:sc= 0.0447 USER MOD Single : B 102 C O2' : rot -17:sc= 0.321 USER MOD Single : B 103 C O2' : rot -71:sc= 1.01 USER MOD Single : B 104 A O2' : rot -26:sc= 0.176 USER MOD Single : B 106 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -7.607 -13.935 -11.327 1.00 0.00 O ATOM 2 C5' G A 1 -6.934 -13.936 -10.082 1.00 0.00 C ATOM 3 C4' G A 1 -7.871 -13.522 -8.937 1.00 0.00 C ATOM 4 O4' G A 1 -7.425 -14.097 -7.722 1.00 0.00 O ATOM 5 C3' G A 1 -7.897 -12.017 -8.638 1.00 0.00 C ATOM 6 O3' G A 1 -8.748 -11.244 -9.464 1.00 0.00 O ATOM 7 C2' G A 1 -8.490 -12.046 -7.233 1.00 0.00 C ATOM 8 O2' G A 1 -9.896 -12.209 -7.313 1.00 0.00 O ATOM 9 C1' G A 1 -7.884 -13.299 -6.635 1.00 0.00 C ATOM 10 N9 G A 1 -6.751 -13.035 -5.733 1.00 0.00 N ATOM 11 C8 G A 1 -5.668 -12.210 -5.899 1.00 0.00 C ATOM 12 N7 G A 1 -4.646 -12.549 -5.166 1.00 0.00 N ATOM 13 C5 G A 1 -5.144 -13.555 -4.340 1.00 0.00 C ATOM 14 C6 G A 1 -4.503 -14.339 -3.328 1.00 0.00 C ATOM 15 O6 G A 1 -3.313 -14.341 -3.004 1.00 0.00 O ATOM 16 N1 G A 1 -5.375 -15.225 -2.708 1.00 0.00 N ATOM 17 C2 G A 1 -6.710 -15.348 -3.029 1.00 0.00 C ATOM 18 N2 G A 1 -7.461 -16.207 -2.348 1.00 0.00 N ATOM 19 N3 G A 1 -7.294 -14.710 -4.048 1.00 0.00 N ATOM 20 C4 G A 1 -6.462 -13.805 -4.641 1.00 0.00 C ATOM 0 H5' G A 1 -6.086 -13.253 -10.125 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.533 -14.930 -9.884 1.00 0.00 H new ATOM 0 H4' G A 1 -8.855 -13.853 -9.270 1.00 0.00 H new ATOM 0 H3' G A 1 -6.918 -11.560 -8.782 1.00 0.00 H new ATOM 0 H2' G A 1 -8.291 -11.140 -6.661 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.205 -11.950 -8.206 1.00 0.00 H new ATOM 0 HO5' G A 1 -6.984 -14.201 -12.036 1.00 0.00 H new ATOM 0 H1' G A 1 -8.648 -13.792 -6.033 1.00 0.00 H new ATOM 0 H8 G A 1 -5.663 -11.364 -6.570 1.00 0.00 H new ATOM 0 H1 G A 1 -5.004 -15.822 -1.969 1.00 0.00 H new ATOM 0 H21 G A 1 -8.450 -16.310 -2.573 1.00 0.00 H new ATOM 0 H22 G A 1 -7.048 -16.764 -1.600 1.00 0.00 H new ATOM 33 P C A 2 -8.590 -9.658 -9.515 1.00 0.00 P ATOM 34 OP1 C A 2 -9.568 -9.202 -10.516 1.00 0.00 O ATOM 35 OP2 C A 2 -7.164 -9.348 -9.719 1.00 0.00 O ATOM 36 O5' C A 2 -8.948 -9.094 -8.067 1.00 0.00 O ATOM 37 C5' C A 2 -10.271 -8.919 -7.609 1.00 0.00 C ATOM 38 C4' C A 2 -10.300 -8.695 -6.082 1.00 0.00 C ATOM 39 O4' C A 2 -9.585 -9.728 -5.385 1.00 0.00 O ATOM 40 C3' C A 2 -9.699 -7.378 -5.575 1.00 0.00 C ATOM 41 O3' C A 2 -10.535 -6.229 -5.590 1.00 0.00 O ATOM 42 C2' C A 2 -9.449 -7.781 -4.129 1.00 0.00 C ATOM 43 O2' C A 2 -10.682 -7.805 -3.425 1.00 0.00 O ATOM 44 C1' C A 2 -8.925 -9.198 -4.224 1.00 0.00 C ATOM 45 N1 C A 2 -7.428 -9.195 -4.310 1.00 0.00 N ATOM 46 C2 C A 2 -6.662 -9.219 -3.133 1.00 0.00 C ATOM 47 O2 C A 2 -7.179 -9.369 -2.021 1.00 0.00 O ATOM 48 N3 C A 2 -5.305 -9.107 -3.216 1.00 0.00 N ATOM 49 C4 C A 2 -4.700 -8.959 -4.403 1.00 0.00 C ATOM 50 N4 C A 2 -3.383 -8.837 -4.440 1.00 0.00 N ATOM 51 C5 C A 2 -5.448 -8.974 -5.625 1.00 0.00 C ATOM 52 C6 C A 2 -6.791 -9.100 -5.521 1.00 0.00 C ATOM 0 H5' C A 2 -10.867 -9.795 -7.863 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.725 -8.067 -8.114 1.00 0.00 H new ATOM 0 H4' C A 2 -11.371 -8.689 -5.877 1.00 0.00 H new ATOM 0 H3' C A 2 -8.865 -7.056 -6.198 1.00 0.00 H new ATOM 0 H2' C A 2 -8.769 -7.100 -3.617 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.341 -7.258 -3.901 1.00 0.00 H new ATOM 0 H1' C A 2 -9.135 -9.817 -3.351 1.00 0.00 H new ATOM 0 H41 C A 2 -2.906 -8.724 -5.335 1.00 0.00 H new ATOM 0 H42 C A 2 -2.845 -8.856 -3.574 1.00 0.00 H new ATOM 0 H5 C A 2 -4.962 -8.889 -6.586 1.00 0.00 H new ATOM 0 H6 C A 2 -7.383 -9.127 -6.424 1.00 0.00 H new ATOM 64 P A A 3 -9.907 -4.769 -5.311 1.00 0.00 P ATOM 65 OP1 A A 3 -10.982 -3.767 -5.393 1.00 0.00 O ATOM 66 OP2 A A 3 -8.737 -4.638 -6.211 1.00 0.00 O ATOM 67 O5' A A 3 -9.375 -4.794 -3.793 1.00 0.00 O ATOM 68 C5' A A 3 -10.268 -4.734 -2.688 1.00 0.00 C ATOM 69 C4' A A 3 -9.694 -5.267 -1.354 1.00 0.00 C ATOM 70 O4' A A 3 -8.785 -6.357 -1.500 1.00 0.00 O ATOM 71 C3' A A 3 -9.019 -4.229 -0.453 1.00 0.00 C ATOM 72 O3' A A 3 -9.992 -3.708 0.451 1.00 0.00 O ATOM 73 C2' A A 3 -8.035 -5.102 0.330 1.00 0.00 C ATOM 74 O2' A A 3 -8.740 -5.735 1.387 1.00 0.00 O ATOM 75 C1' A A 3 -7.634 -6.161 -0.683 1.00 0.00 C ATOM 76 N9 A A 3 -6.452 -5.780 -1.494 1.00 0.00 N ATOM 77 C8 A A 3 -6.371 -5.539 -2.842 1.00 0.00 C ATOM 78 N7 A A 3 -5.158 -5.520 -3.330 1.00 0.00 N ATOM 79 C5 A A 3 -4.375 -5.717 -2.200 1.00 0.00 C ATOM 80 C6 A A 3 -2.986 -5.831 -2.010 1.00 0.00 C ATOM 81 N6 A A 3 -2.123 -5.805 -3.028 1.00 0.00 N ATOM 82 N1 A A 3 -2.508 -5.970 -0.768 1.00 0.00 N ATOM 83 C2 A A 3 -3.369 -6.037 0.252 1.00 0.00 C ATOM 84 N3 A A 3 -4.698 -5.997 0.202 1.00 0.00 N ATOM 85 C4 A A 3 -5.147 -5.824 -1.070 1.00 0.00 C ATOM 0 H5' A A 3 -11.165 -5.303 -2.933 1.00 0.00 H new ATOM 0 H5'' A A 3 -10.577 -3.698 -2.545 1.00 0.00 H new ATOM 0 H4' A A 3 -10.610 -5.602 -0.867 1.00 0.00 H new ATOM 0 H3' A A 3 -8.564 -3.391 -0.981 1.00 0.00 H new ATOM 0 H2' A A 3 -7.192 -4.551 0.747 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.595 -5.278 1.529 1.00 0.00 H new ATOM 0 H1' A A 3 -7.326 -7.075 -0.175 1.00 0.00 H new ATOM 0 H8 A A 3 -7.245 -5.377 -3.455 1.00 0.00 H new ATOM 0 H61 A A 3 -1.122 -5.891 -2.850 1.00 0.00 H new ATOM 0 H62 A A 3 -2.464 -5.700 -3.983 1.00 0.00 H new ATOM 0 H2 A A 3 -2.934 -6.135 1.235 1.00 0.00 H new ATOM 97 P G A 4 -9.781 -2.372 1.295 1.00 0.00 P ATOM 98 OP1 G A 4 -10.868 -2.341 2.291 1.00 0.00 O ATOM 99 OP2 G A 4 -9.667 -1.244 0.350 1.00 0.00 O ATOM 100 O5' G A 4 -8.397 -2.514 2.081 1.00 0.00 O ATOM 101 C5' G A 4 -8.361 -2.779 3.474 1.00 0.00 C ATOM 102 C4' G A 4 -6.998 -3.225 4.025 1.00 0.00 C ATOM 103 O4' G A 4 -6.306 -4.014 3.064 1.00 0.00 O ATOM 104 C3' G A 4 -6.030 -2.155 4.566 1.00 0.00 C ATOM 105 O3' G A 4 -6.174 -1.990 5.983 1.00 0.00 O ATOM 106 C2' G A 4 -4.700 -2.867 4.324 1.00 0.00 C ATOM 107 O2' G A 4 -4.515 -3.767 5.402 1.00 0.00 O ATOM 108 C1' G A 4 -4.928 -3.672 3.059 1.00 0.00 C ATOM 109 N9 G A 4 -4.556 -2.908 1.846 1.00 0.00 N ATOM 110 C8 G A 4 -5.369 -2.356 0.899 1.00 0.00 C ATOM 111 N7 G A 4 -4.744 -1.881 -0.148 1.00 0.00 N ATOM 112 C5 G A 4 -3.398 -2.101 0.149 1.00 0.00 C ATOM 113 C6 G A 4 -2.212 -1.811 -0.610 1.00 0.00 C ATOM 114 O6 G A 4 -2.135 -1.369 -1.763 1.00 0.00 O ATOM 115 N1 G A 4 -1.040 -2.103 0.088 1.00 0.00 N ATOM 116 C2 G A 4 -1.031 -2.638 1.365 1.00 0.00 C ATOM 117 N2 G A 4 0.105 -2.753 2.034 1.00 0.00 N ATOM 118 N3 G A 4 -2.126 -2.990 2.049 1.00 0.00 N ATOM 119 C4 G A 4 -3.279 -2.686 1.391 1.00 0.00 C ATOM 0 H5' G A 4 -9.095 -3.553 3.699 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.672 -1.880 4.006 1.00 0.00 H new ATOM 0 H4' G A 4 -7.293 -3.784 4.913 1.00 0.00 H new ATOM 0 H3' G A 4 -6.164 -1.171 4.115 1.00 0.00 H new ATOM 0 H2' G A 4 -3.846 -2.195 4.242 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.058 -3.479 6.165 1.00 0.00 H new ATOM 0 H1' G A 4 -4.299 -4.562 3.038 1.00 0.00 H new ATOM 0 H8 G A 4 -6.443 -2.314 1.005 1.00 0.00 H new ATOM 0 H1 G A 4 -0.146 -1.913 -0.365 1.00 0.00 H new ATOM 0 H21 G A 4 0.105 -3.148 2.974 1.00 0.00 H new ATOM 0 H22 G A 4 0.980 -2.447 1.609 1.00 0.00 H new ATOM 131 P U A 5 -5.558 -0.751 6.800 1.00 0.00 P ATOM 132 OP1 U A 5 -5.717 -1.059 8.239 1.00 0.00 O ATOM 133 OP2 U A 5 -6.189 0.484 6.296 1.00 0.00 O ATOM 134 O5' U A 5 -3.979 -0.686 6.527 1.00 0.00 O ATOM 135 C5' U A 5 -3.076 -1.487 7.280 1.00 0.00 C ATOM 136 C4' U A 5 -1.614 -1.342 6.851 1.00 0.00 C ATOM 137 O4' U A 5 -1.402 -1.683 5.490 1.00 0.00 O ATOM 138 C3' U A 5 -1.046 0.063 7.065 1.00 0.00 C ATOM 139 O3' U A 5 -0.514 0.193 8.372 1.00 0.00 O ATOM 140 C2' U A 5 0.105 0.063 6.066 1.00 0.00 C ATOM 141 O2' U A 5 1.208 -0.574 6.686 1.00 0.00 O ATOM 142 C1' U A 5 -0.416 -0.812 4.938 1.00 0.00 C ATOM 143 N1 U A 5 -0.954 -0.027 3.806 1.00 0.00 N ATOM 144 C2 U A 5 -0.033 0.403 2.846 1.00 0.00 C ATOM 145 O2 U A 5 1.191 0.391 3.029 1.00 0.00 O ATOM 146 N3 U A 5 -0.578 0.857 1.660 1.00 0.00 N ATOM 147 C4 U A 5 -1.922 1.032 1.387 1.00 0.00 C ATOM 148 O4 U A 5 -2.287 1.392 0.272 1.00 0.00 O ATOM 149 C5 U A 5 -2.795 0.705 2.491 1.00 0.00 C ATOM 150 C6 U A 5 -2.307 0.169 3.634 1.00 0.00 C ATOM 0 H5' U A 5 -3.370 -2.533 7.188 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.163 -1.223 8.334 1.00 0.00 H new ATOM 0 H4' U A 5 -1.091 -2.044 7.500 1.00 0.00 H new ATOM 0 H3' U A 5 -1.779 0.860 6.942 1.00 0.00 H new ATOM 0 H2' U A 5 0.413 1.052 5.728 1.00 0.00 H new ATOM 0 HO2' U A 5 1.091 -0.558 7.659 1.00 0.00 H new ATOM 0 H1' U A 5 0.409 -1.387 4.517 1.00 0.00 H new ATOM 0 H3 U A 5 0.076 1.086 0.912 1.00 0.00 H new ATOM 0 H5 U A 5 -3.855 0.891 2.403 1.00 0.00 H new ATOM 0 H6 U A 5 -2.989 -0.110 4.424 1.00 0.00 H new ATOM 161 P G A 6 -0.125 1.601 8.992 1.00 0.00 P ATOM 162 OP1 G A 6 0.994 1.306 9.912 1.00 0.00 O ATOM 163 OP2 G A 6 -1.342 2.206 9.568 1.00 0.00 O ATOM 164 O5' G A 6 0.433 2.520 7.802 1.00 0.00 O ATOM 165 C5' G A 6 1.830 2.646 7.658 1.00 0.00 C ATOM 166 C4' G A 6 2.402 3.431 6.482 1.00 0.00 C ATOM 167 O4' G A 6 2.134 2.802 5.235 1.00 0.00 O ATOM 168 C3' G A 6 1.956 4.870 6.283 1.00 0.00 C ATOM 169 O3' G A 6 2.539 5.768 7.211 1.00 0.00 O ATOM 170 C2' G A 6 2.587 5.071 4.892 1.00 0.00 C ATOM 171 O2' G A 6 4.011 5.182 4.941 1.00 0.00 O ATOM 172 C1' G A 6 2.262 3.761 4.186 1.00 0.00 C ATOM 173 N9 G A 6 1.045 3.874 3.355 1.00 0.00 N ATOM 174 C8 G A 6 -0.242 3.547 3.677 1.00 0.00 C ATOM 175 N7 G A 6 -1.109 3.799 2.737 1.00 0.00 N ATOM 176 C5 G A 6 -0.329 4.222 1.663 1.00 0.00 C ATOM 177 C6 G A 6 -0.693 4.509 0.303 1.00 0.00 C ATOM 178 O6 G A 6 -1.804 4.502 -0.232 1.00 0.00 O ATOM 179 N1 G A 6 0.404 4.829 -0.482 1.00 0.00 N ATOM 180 C2 G A 6 1.700 4.825 -0.026 1.00 0.00 C ATOM 181 N2 G A 6 2.674 4.987 -0.907 1.00 0.00 N ATOM 182 N3 G A 6 2.066 4.606 1.246 1.00 0.00 N ATOM 183 C4 G A 6 0.998 4.281 2.040 1.00 0.00 C ATOM 0 H5' G A 6 2.244 1.639 7.609 1.00 0.00 H new ATOM 0 H5'' G A 6 2.211 3.104 8.571 1.00 0.00 H new ATOM 0 H4' G A 6 3.453 3.443 6.772 1.00 0.00 H new ATOM 0 H3' G A 6 0.886 5.045 6.395 1.00 0.00 H new ATOM 0 H2' G A 6 2.215 5.980 4.420 1.00 0.00 H new ATOM 0 HO2' G A 6 4.284 5.503 5.826 1.00 0.00 H new ATOM 0 H1' G A 6 3.039 3.467 3.480 1.00 0.00 H new ATOM 0 H8 G A 6 -0.517 3.117 4.629 1.00 0.00 H new ATOM 0 H1 G A 6 0.239 5.083 -1.456 1.00 0.00 H new ATOM 0 H21 G A 6 3.646 4.988 -0.598 1.00 0.00 H new ATOM 0 H22 G A 6 2.453 5.110 -1.895 1.00 0.00 H new ATOM 195 P G A 7 2.017 7.277 7.308 1.00 0.00 P ATOM 196 OP1 G A 7 2.805 7.959 8.352 1.00 0.00 O ATOM 197 OP2 G A 7 0.540 7.288 7.427 1.00 0.00 O ATOM 198 O5' G A 7 2.392 7.946 5.900 1.00 0.00 O ATOM 199 C5' G A 7 3.518 8.788 5.789 1.00 0.00 C ATOM 200 C4' G A 7 3.928 9.176 4.369 1.00 0.00 C ATOM 201 O4' G A 7 3.729 8.109 3.461 1.00 0.00 O ATOM 202 C3' G A 7 3.189 10.393 3.823 1.00 0.00 C ATOM 203 O3' G A 7 3.785 11.623 4.236 1.00 0.00 O ATOM 204 C2' G A 7 3.231 10.123 2.324 1.00 0.00 C ATOM 205 O2' G A 7 4.467 10.517 1.750 1.00 0.00 O ATOM 206 C1' G A 7 3.117 8.606 2.284 1.00 0.00 C ATOM 207 N9 G A 7 1.712 8.173 2.134 1.00 0.00 N ATOM 208 C8 G A 7 0.805 7.760 3.074 1.00 0.00 C ATOM 209 N7 G A 7 -0.385 7.534 2.584 1.00 0.00 N ATOM 210 C5 G A 7 -0.255 7.781 1.218 1.00 0.00 C ATOM 211 C6 G A 7 -1.196 7.689 0.136 1.00 0.00 C ATOM 212 O6 G A 7 -2.394 7.413 0.168 1.00 0.00 O ATOM 213 N1 G A 7 -0.622 7.952 -1.099 1.00 0.00 N ATOM 214 C2 G A 7 0.701 8.269 -1.283 1.00 0.00 C ATOM 215 N2 G A 7 1.109 8.534 -2.508 1.00 0.00 N ATOM 216 N3 G A 7 1.581 8.407 -0.286 1.00 0.00 N ATOM 217 C4 G A 7 1.044 8.137 0.938 1.00 0.00 C ATOM 0 H5' G A 7 4.364 8.295 6.268 1.00 0.00 H new ATOM 0 H5'' G A 7 3.321 9.701 6.351 1.00 0.00 H new ATOM 0 H4' G A 7 4.986 9.424 4.452 1.00 0.00 H new ATOM 0 H3' G A 7 2.171 10.518 4.192 1.00 0.00 H new ATOM 0 H2' G A 7 2.463 10.664 1.772 1.00 0.00 H new ATOM 0 HO2' G A 7 4.571 11.488 1.831 1.00 0.00 H new ATOM 0 H1' G A 7 3.629 8.199 1.412 1.00 0.00 H new ATOM 0 H8 G A 7 1.050 7.634 4.118 1.00 0.00 H new ATOM 0 H1 G A 7 -1.221 7.907 -1.923 1.00 0.00 H new ATOM 0 H21 G A 7 2.086 8.773 -2.680 1.00 0.00 H new ATOM 0 H22 G A 7 0.448 8.500 -3.284 1.00 0.00 H new ATOM 229 P C A 8 3.430 13.029 3.563 1.00 0.00 P ATOM 230 OP1 C A 8 4.375 13.176 2.436 1.00 0.00 O ATOM 231 OP2 C A 8 3.412 14.067 4.615 1.00 0.00 O ATOM 232 O5' C A 8 1.961 12.917 2.964 1.00 0.00 O ATOM 233 C5' C A 8 1.689 13.256 1.611 1.00 0.00 C ATOM 234 C4' C A 8 0.194 13.184 1.295 1.00 0.00 C ATOM 235 O4' C A 8 -0.332 11.864 1.319 1.00 0.00 O ATOM 236 C3' C A 8 -0.636 14.032 2.266 1.00 0.00 C ATOM 237 O3' C A 8 -0.729 15.404 1.904 1.00 0.00 O ATOM 238 C2' C A 8 -1.993 13.353 2.160 1.00 0.00 C ATOM 239 O2' C A 8 -2.705 13.842 1.032 1.00 0.00 O ATOM 240 C1' C A 8 -1.621 11.889 1.938 1.00 0.00 C ATOM 241 N1 C A 8 -1.646 11.147 3.226 1.00 0.00 N ATOM 242 C2 C A 8 -2.874 10.721 3.731 1.00 0.00 C ATOM 243 O2 C A 8 -3.942 11.147 3.286 1.00 0.00 O ATOM 244 N3 C A 8 -2.894 9.841 4.776 1.00 0.00 N ATOM 245 C4 C A 8 -1.747 9.418 5.332 1.00 0.00 C ATOM 246 N4 C A 8 -1.812 8.492 6.276 1.00 0.00 N ATOM 247 C5 C A 8 -0.497 10.016 4.968 1.00 0.00 C ATOM 248 C6 C A 8 -0.499 10.856 3.909 1.00 0.00 C ATOM 0 H5' C A 8 2.233 12.580 0.951 1.00 0.00 H new ATOM 0 H5'' C A 8 2.055 14.262 1.408 1.00 0.00 H new ATOM 0 H4' C A 8 0.116 13.573 0.280 1.00 0.00 H new ATOM 0 H3' C A 8 -0.202 14.068 3.265 1.00 0.00 H new ATOM 0 H2' C A 8 -2.628 13.521 3.030 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.332 14.706 0.759 1.00 0.00 H new ATOM 0 HO3' C A 8 -1.273 15.881 2.566 1.00 0.00 H new ATOM 0 H1' C A 8 -2.341 11.392 1.288 1.00 0.00 H new ATOM 0 H41 C A 8 -0.957 8.152 6.716 1.00 0.00 H new ATOM 0 H42 C A 8 -2.717 8.119 6.563 1.00 0.00 H new ATOM 0 H5 C A 8 0.409 9.805 5.517 1.00 0.00 H new ATOM 0 H6 C A 8 0.430 11.309 3.595 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -8.626 13.458 -5.753 1.00 0.00 O ATOM 263 C5' G B 101 -8.250 12.189 -6.258 1.00 0.00 C ATOM 264 C4' G B 101 -6.787 12.225 -6.719 1.00 0.00 C ATOM 265 O4' G B 101 -5.936 12.756 -5.700 1.00 0.00 O ATOM 266 C3' G B 101 -6.247 10.841 -7.104 1.00 0.00 C ATOM 267 O3' G B 101 -6.408 10.574 -8.495 1.00 0.00 O ATOM 268 C2' G B 101 -4.768 11.034 -6.788 1.00 0.00 C ATOM 269 O2' G B 101 -4.231 11.683 -7.924 1.00 0.00 O ATOM 270 C1' G B 101 -4.762 11.960 -5.577 1.00 0.00 C ATOM 271 N9 G B 101 -4.783 11.213 -4.294 1.00 0.00 N ATOM 272 C8 G B 101 -5.866 10.675 -3.645 1.00 0.00 C ATOM 273 N7 G B 101 -5.616 10.255 -2.437 1.00 0.00 N ATOM 274 C5 G B 101 -4.257 10.504 -2.277 1.00 0.00 C ATOM 275 C6 G B 101 -3.429 10.350 -1.120 1.00 0.00 C ATOM 276 O6 G B 101 -3.765 10.034 0.022 1.00 0.00 O ATOM 277 N1 G B 101 -2.107 10.703 -1.345 1.00 0.00 N ATOM 278 C2 G B 101 -1.636 11.189 -2.542 1.00 0.00 C ATOM 279 N2 G B 101 -0.338 11.467 -2.630 1.00 0.00 N ATOM 280 N3 G B 101 -2.417 11.430 -3.617 1.00 0.00 N ATOM 281 C4 G B 101 -3.722 11.052 -3.424 1.00 0.00 C ATOM 0 H5' G B 101 -8.897 11.913 -7.091 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.380 11.428 -5.488 1.00 0.00 H new ATOM 0 H4' G B 101 -6.779 12.866 -7.601 1.00 0.00 H new ATOM 0 H3' G B 101 -6.743 10.015 -6.595 1.00 0.00 H new ATOM 0 H2' G B 101 -4.202 10.126 -6.579 1.00 0.00 H new ATOM 0 HO2' G B 101 -3.501 11.144 -8.294 1.00 0.00 H new ATOM 0 HO5' G B 101 -7.850 13.887 -5.336 1.00 0.00 H new ATOM 0 H1' G B 101 -3.850 12.557 -5.559 1.00 0.00 H new ATOM 0 H8 G B 101 -6.844 10.605 -4.098 1.00 0.00 H new ATOM 0 H1 G B 101 -1.445 10.596 -0.577 1.00 0.00 H new ATOM 0 H21 G B 101 0.048 11.829 -3.502 1.00 0.00 H new ATOM 0 H22 G B 101 0.271 11.318 -1.826 1.00 0.00 H new ATOM 294 P C B 102 -6.387 9.080 -9.067 1.00 0.00 P ATOM 295 OP1 C B 102 -6.763 9.124 -10.501 1.00 0.00 O ATOM 296 OP2 C B 102 -7.165 8.232 -8.144 1.00 0.00 O ATOM 297 O5' C B 102 -4.859 8.649 -8.914 1.00 0.00 O ATOM 298 C5' C B 102 -3.932 8.732 -9.980 1.00 0.00 C ATOM 299 C4' C B 102 -2.496 8.769 -9.446 1.00 0.00 C ATOM 300 O4' C B 102 -2.423 9.469 -8.208 1.00 0.00 O ATOM 301 C3' C B 102 -1.815 7.417 -9.247 1.00 0.00 C ATOM 302 O3' C B 102 -1.159 6.981 -10.433 1.00 0.00 O ATOM 303 C2' C B 102 -0.772 7.814 -8.216 1.00 0.00 C ATOM 304 O2' C B 102 0.271 8.470 -8.909 1.00 0.00 O ATOM 305 C1' C B 102 -1.498 8.824 -7.345 1.00 0.00 C ATOM 306 N1 C B 102 -2.119 8.231 -6.117 1.00 0.00 N ATOM 307 C2 C B 102 -1.419 8.368 -4.915 1.00 0.00 C ATOM 308 O2 C B 102 -0.279 8.837 -4.890 1.00 0.00 O ATOM 309 N3 C B 102 -1.997 8.003 -3.735 1.00 0.00 N ATOM 310 C4 C B 102 -3.227 7.474 -3.726 1.00 0.00 C ATOM 311 N4 C B 102 -3.758 7.157 -2.553 1.00 0.00 N ATOM 312 C5 C B 102 -3.964 7.289 -4.942 1.00 0.00 C ATOM 313 C6 C B 102 -3.370 7.659 -6.107 1.00 0.00 C ATOM 0 H5' C B 102 -4.129 9.626 -10.571 1.00 0.00 H new ATOM 0 H5'' C B 102 -4.057 7.877 -10.644 1.00 0.00 H new ATOM 0 H4' C B 102 -1.957 9.281 -10.243 1.00 0.00 H new ATOM 0 H3' C B 102 -2.491 6.607 -8.973 1.00 0.00 H new ATOM 0 H2' C B 102 -0.362 6.981 -7.645 1.00 0.00 H new ATOM 0 HO2' C B 102 0.203 8.271 -9.866 1.00 0.00 H new ATOM 0 H1' C B 102 -0.801 9.544 -6.916 1.00 0.00 H new ATOM 0 H41 C B 102 -4.693 6.752 -2.509 1.00 0.00 H new ATOM 0 H42 C B 102 -3.231 7.318 -1.695 1.00 0.00 H new ATOM 0 H5 C B 102 -4.959 6.869 -4.932 1.00 0.00 H new ATOM 0 H6 C B 102 -3.889 7.501 -7.041 1.00 0.00 H new ATOM 325 P C B 103 -0.689 5.472 -10.616 1.00 0.00 P ATOM 326 OP1 C B 103 -0.130 5.350 -11.979 1.00 0.00 O ATOM 327 OP2 C B 103 -1.838 4.622 -10.292 1.00 0.00 O ATOM 328 O5' C B 103 0.482 5.178 -9.586 1.00 0.00 O ATOM 329 C5' C B 103 1.806 5.608 -9.844 1.00 0.00 C ATOM 330 C4' C B 103 2.647 5.547 -8.569 1.00 0.00 C ATOM 331 O4' C B 103 2.010 6.309 -7.556 1.00 0.00 O ATOM 332 C3' C B 103 2.871 4.141 -8.002 1.00 0.00 C ATOM 333 O3' C B 103 3.979 3.482 -8.622 1.00 0.00 O ATOM 334 C2' C B 103 3.138 4.506 -6.544 1.00 0.00 C ATOM 335 O2' C B 103 4.508 4.798 -6.351 1.00 0.00 O ATOM 336 C1' C B 103 2.284 5.743 -6.286 1.00 0.00 C ATOM 337 N1 C B 103 1.058 5.376 -5.521 1.00 0.00 N ATOM 338 C2 C B 103 1.149 5.392 -4.127 1.00 0.00 C ATOM 339 O2 C B 103 2.198 5.699 -3.558 1.00 0.00 O ATOM 340 N3 C B 103 0.066 5.044 -3.380 1.00 0.00 N ATOM 341 C4 C B 103 -1.075 4.668 -3.967 1.00 0.00 C ATOM 342 N4 C B 103 -2.088 4.332 -3.186 1.00 0.00 N ATOM 343 C5 C B 103 -1.189 4.599 -5.396 1.00 0.00 C ATOM 344 C6 C B 103 -0.102 4.956 -6.131 1.00 0.00 C ATOM 0 H5' C B 103 1.795 6.627 -10.231 1.00 0.00 H new ATOM 0 H5'' C B 103 2.255 4.980 -10.613 1.00 0.00 H new ATOM 0 H4' C B 103 3.624 5.937 -8.855 1.00 0.00 H new ATOM 0 H3' C B 103 2.055 3.434 -8.156 1.00 0.00 H new ATOM 0 H2' C B 103 2.893 3.690 -5.864 1.00 0.00 H new ATOM 0 HO2' C B 103 5.031 3.972 -6.418 1.00 0.00 H new ATOM 0 H1' C B 103 2.795 6.480 -5.667 1.00 0.00 H new ATOM 0 H41 C B 103 -2.974 4.040 -3.598 1.00 0.00 H new ATOM 0 H42 C B 103 -1.983 4.365 -2.172 1.00 0.00 H new ATOM 0 H5 C B 103 -2.104 4.276 -5.870 1.00 0.00 H new ATOM 0 H6 C B 103 -0.150 4.909 -7.209 1.00 0.00 H new ATOM 356 P A B 104 4.484 2.003 -8.222 1.00 0.00 P ATOM 357 OP1 A B 104 5.585 1.667 -9.146 1.00 0.00 O ATOM 358 OP2 A B 104 3.324 1.095 -8.093 1.00 0.00 O ATOM 359 O5' A B 104 5.129 2.184 -6.775 1.00 0.00 O ATOM 360 C5' A B 104 6.490 1.888 -6.507 1.00 0.00 C ATOM 361 C4' A B 104 6.809 2.067 -5.019 1.00 0.00 C ATOM 362 O4' A B 104 5.933 3.007 -4.408 1.00 0.00 O ATOM 363 C3' A B 104 6.760 0.776 -4.200 1.00 0.00 C ATOM 364 O3' A B 104 8.042 0.166 -4.217 1.00 0.00 O ATOM 365 C2' A B 104 6.436 1.349 -2.818 1.00 0.00 C ATOM 366 O2' A B 104 7.612 1.880 -2.206 1.00 0.00 O ATOM 367 C1' A B 104 5.480 2.496 -3.154 1.00 0.00 C ATOM 368 N9 A B 104 4.049 2.077 -3.180 1.00 0.00 N ATOM 369 C8 A B 104 3.184 1.879 -4.233 1.00 0.00 C ATOM 370 N7 A B 104 1.932 1.718 -3.901 1.00 0.00 N ATOM 371 C5 A B 104 1.986 1.711 -2.513 1.00 0.00 C ATOM 372 C6 A B 104 0.998 1.599 -1.517 1.00 0.00 C ATOM 373 N6 A B 104 -0.300 1.506 -1.783 1.00 0.00 N ATOM 374 N1 A B 104 1.373 1.633 -0.234 1.00 0.00 N ATOM 375 C2 A B 104 2.660 1.761 0.073 1.00 0.00 C ATOM 376 N3 A B 104 3.690 1.905 -0.765 1.00 0.00 N ATOM 377 C4 A B 104 3.278 1.858 -2.063 1.00 0.00 C ATOM 0 H5' A B 104 7.131 2.539 -7.101 1.00 0.00 H new ATOM 0 H5'' A B 104 6.709 0.864 -6.809 1.00 0.00 H new ATOM 0 H4' A B 104 7.838 2.428 -5.012 1.00 0.00 H new ATOM 0 H3' A B 104 6.061 0.014 -4.544 1.00 0.00 H new ATOM 0 H2' A B 104 6.029 0.608 -2.130 1.00 0.00 H new ATOM 0 HO2' A B 104 8.402 1.427 -2.568 1.00 0.00 H new ATOM 0 H1' A B 104 5.500 3.265 -2.381 1.00 0.00 H new ATOM 0 H8 A B 104 3.518 1.858 -5.260 1.00 0.00 H new ATOM 0 H61 A B 104 -0.973 1.427 -1.020 1.00 0.00 H new ATOM 0 H62 A B 104 -0.624 1.514 -2.750 1.00 0.00 H new ATOM 0 H2 A B 104 2.902 1.747 1.126 1.00 0.00 H new ATOM 389 P DC B 105 8.282 -1.383 -3.960 1.00 0.00 P ATOM 390 OP1 DC B 105 9.746 -1.518 -3.772 1.00 0.00 O ATOM 391 OP2 DC B 105 7.656 -2.127 -5.063 1.00 0.00 O ATOM 392 O5' DC B 105 7.579 -1.778 -2.582 1.00 0.00 O ATOM 393 C5' DC B 105 8.210 -1.565 -1.329 1.00 0.00 C ATOM 394 C4' DC B 105 7.249 -1.704 -0.140 1.00 0.00 C ATOM 395 O4' DC B 105 6.170 -0.792 -0.279 1.00 0.00 O ATOM 396 C3' DC B 105 6.656 -3.098 0.101 1.00 0.00 C ATOM 397 O3' DC B 105 7.508 -3.899 0.913 1.00 0.00 O ATOM 398 C2' DC B 105 5.394 -2.690 0.857 1.00 0.00 C ATOM 399 C1' DC B 105 4.966 -1.378 0.206 1.00 0.00 C ATOM 400 N1 DC B 105 3.950 -1.564 -0.874 1.00 0.00 N ATOM 401 C2 DC B 105 2.606 -1.707 -0.511 1.00 0.00 C ATOM 402 O2 DC B 105 2.277 -1.798 0.670 1.00 0.00 O ATOM 403 N3 DC B 105 1.639 -1.762 -1.477 1.00 0.00 N ATOM 404 C4 DC B 105 1.988 -1.676 -2.764 1.00 0.00 C ATOM 405 N4 DC B 105 1.038 -1.658 -3.686 1.00 0.00 N ATOM 406 C5 DC B 105 3.356 -1.630 -3.173 1.00 0.00 C ATOM 407 C6 DC B 105 4.294 -1.559 -2.201 1.00 0.00 C ATOM 0 H5' DC B 105 8.653 -0.569 -1.316 1.00 0.00 H new ATOM 0 H5'' DC B 105 9.026 -2.278 -1.214 1.00 0.00 H new ATOM 0 H4' DC B 105 7.878 -1.492 0.724 1.00 0.00 H new ATOM 0 H3' DC B 105 6.500 -3.702 -0.793 1.00 0.00 H new ATOM 0 H2' DC B 105 4.616 -3.449 0.770 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.593 -2.559 1.921 1.00 0.00 H new ATOM 0 H1' DC B 105 4.462 -0.731 0.925 1.00 0.00 H new ATOM 0 H41 DC B 105 1.286 -1.593 -4.673 1.00 0.00 H new ATOM 0 H42 DC B 105 0.058 -1.709 -3.409 1.00 0.00 H new ATOM 0 H5 DC B 105 3.631 -1.651 -4.217 1.00 0.00 H new ATOM 0 H6 DC B 105 5.336 -1.497 -2.476 1.00 0.00 H new ATOM 419 P DT B 106 7.333 -5.491 1.064 1.00 0.00 P ATOM 420 OP1 DT B 106 8.408 -5.941 1.979 1.00 0.00 O ATOM 421 OP2 DT B 106 7.245 -6.088 -0.277 1.00 0.00 O ATOM 422 O5' DT B 106 5.936 -5.729 1.788 1.00 0.00 O ATOM 423 C5' DT B 106 5.788 -5.547 3.182 1.00 0.00 C ATOM 424 C4' DT B 106 4.330 -5.720 3.609 1.00 0.00 C ATOM 425 O4' DT B 106 3.511 -4.798 2.900 1.00 0.00 O ATOM 426 C3' DT B 106 3.755 -7.116 3.346 1.00 0.00 C ATOM 427 O3' DT B 106 4.014 -8.070 4.371 1.00 0.00 O ATOM 428 C2' DT B 106 2.276 -6.769 3.276 1.00 0.00 C ATOM 429 C1' DT B 106 2.245 -5.395 2.637 1.00 0.00 C ATOM 430 N1 DT B 106 1.934 -5.536 1.190 1.00 0.00 N ATOM 431 C2 DT B 106 0.601 -5.754 0.839 1.00 0.00 C ATOM 432 O2 DT B 106 -0.299 -5.897 1.670 1.00 0.00 O ATOM 433 N3 DT B 106 0.328 -5.818 -0.510 1.00 0.00 N ATOM 434 C4 DT B 106 1.243 -5.688 -1.538 1.00 0.00 C ATOM 435 O4 DT B 106 0.866 -5.783 -2.710 1.00 0.00 O ATOM 436 C5 DT B 106 2.615 -5.473 -1.094 1.00 0.00 C ATOM 437 C7 DT B 106 3.719 -5.259 -2.111 1.00 0.00 C ATOM 438 C6 DT B 106 2.912 -5.455 0.230 1.00 0.00 C ATOM 0 H5' DT B 106 6.136 -4.552 3.461 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.413 -6.264 3.714 1.00 0.00 H new ATOM 0 H4' DT B 106 4.327 -5.550 4.686 1.00 0.00 H new ATOM 0 H3' DT B 106 4.185 -7.602 2.470 1.00 0.00 H new ATOM 0 H2' DT B 106 1.724 -7.497 2.681 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.823 -6.757 4.267 1.00 0.00 H new ATOM 0 H1' DT B 106 1.468 -4.749 3.044 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.644 -5.977 -0.776 1.00 0.00 H new ATOM 0 H71 DT B 106 4.492 -4.622 -1.680 1.00 0.00 H new ATOM 0 H72 DT B 106 4.152 -6.221 -2.385 1.00 0.00 H new ATOM 0 H73 DT B 106 3.307 -4.780 -2.999 1.00 0.00 H new ATOM 0 H6 DT B 106 3.945 -5.375 0.536 1.00 0.00 H new ATOM 451 P DG B 107 3.423 -9.562 4.270 1.00 0.00 P ATOM 452 OP1 DG B 107 4.024 -10.382 5.341 1.00 0.00 O ATOM 453 OP2 DG B 107 3.532 -10.023 2.870 1.00 0.00 O ATOM 454 O5' DG B 107 1.866 -9.472 4.586 1.00 0.00 O ATOM 455 C5' DG B 107 1.366 -8.994 5.826 1.00 0.00 C ATOM 456 C4' DG B 107 -0.172 -9.030 5.847 1.00 0.00 C ATOM 457 O4' DG B 107 -0.699 -8.459 4.647 1.00 0.00 O ATOM 458 C3' DG B 107 -0.716 -10.459 5.925 1.00 0.00 C ATOM 459 O3' DG B 107 -1.982 -10.474 6.558 1.00 0.00 O ATOM 460 C2' DG B 107 -0.944 -10.782 4.462 1.00 0.00 C ATOM 461 C1' DG B 107 -1.463 -9.442 3.950 1.00 0.00 C ATOM 462 N9 DG B 107 -1.304 -9.351 2.481 1.00 0.00 N ATOM 463 C8 DG B 107 -0.134 -9.477 1.781 1.00 0.00 C ATOM 464 N7 DG B 107 -0.272 -9.433 0.486 1.00 0.00 N ATOM 465 C5 DG B 107 -1.645 -9.309 0.307 1.00 0.00 C ATOM 466 C6 DG B 107 -2.400 -9.308 -0.907 1.00 0.00 C ATOM 467 O6 DG B 107 -1.979 -9.405 -2.062 1.00 0.00 O ATOM 468 N1 DG B 107 -3.768 -9.265 -0.693 1.00 0.00 N ATOM 469 C2 DG B 107 -4.354 -9.266 0.552 1.00 0.00 C ATOM 470 N2 DG B 107 -5.683 -9.305 0.605 1.00 0.00 N ATOM 471 N3 DG B 107 -3.659 -9.292 1.710 1.00 0.00 N ATOM 472 C4 DG B 107 -2.299 -9.296 1.521 1.00 0.00 C ATOM 0 H5' DG B 107 1.712 -7.974 5.994 1.00 0.00 H new ATOM 0 H5'' DG B 107 1.759 -9.602 6.640 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.476 -8.468 6.730 1.00 0.00 H new ATOM 0 H3' DG B 107 -0.058 -11.137 6.468 1.00 0.00 H new ATOM 0 H2' DG B 107 -0.027 -11.089 3.959 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.668 -11.585 4.324 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.529 -9.303 4.132 1.00 0.00 H new ATOM 0 H8 DG B 107 0.824 -9.603 2.263 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.379 -9.230 -1.509 1.00 0.00 H new ATOM 0 H21 DG B 107 -6.158 -9.307 1.508 1.00 0.00 H new ATOM 0 H22 DG B 107 -6.227 -9.333 -0.257 1.00 0.00 H new ATOM 484 P DC B 108 -2.181 -10.713 8.119 1.00 0.00 P ATOM 485 OP1 DC B 108 -3.254 -9.796 8.537 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.875 -10.695 8.808 1.00 0.00 O ATOM 487 O5' DC B 108 -2.746 -12.212 8.200 1.00 0.00 O ATOM 488 C5' DC B 108 -2.318 -13.154 7.234 1.00 0.00 C ATOM 489 C4' DC B 108 -2.940 -14.554 7.363 1.00 0.00 C ATOM 490 O4' DC B 108 -3.792 -14.741 6.234 1.00 0.00 O ATOM 491 C3' DC B 108 -1.848 -15.637 7.287 1.00 0.00 C ATOM 492 O3' DC B 108 -2.204 -16.899 7.845 1.00 0.00 O ATOM 493 C2' DC B 108 -1.721 -15.775 5.782 1.00 0.00 C ATOM 494 C1' DC B 108 -3.183 -15.674 5.350 1.00 0.00 C ATOM 495 N1 DC B 108 -3.227 -15.293 3.916 1.00 0.00 N ATOM 496 C2 DC B 108 -3.300 -16.322 2.976 1.00 0.00 C ATOM 497 O2 DC B 108 -3.692 -17.457 3.272 1.00 0.00 O ATOM 498 N3 DC B 108 -2.879 -16.084 1.697 1.00 0.00 N ATOM 499 C4 DC B 108 -2.434 -14.866 1.343 1.00 0.00 C ATOM 500 N4 DC B 108 -2.021 -14.705 0.098 1.00 0.00 N ATOM 501 C5 DC B 108 -2.448 -13.762 2.260 1.00 0.00 C ATOM 502 C6 DC B 108 -2.846 -14.031 3.531 1.00 0.00 C ATOM 0 H5' DC B 108 -1.234 -13.248 7.298 1.00 0.00 H new ATOM 0 H5'' DC B 108 -2.546 -12.763 6.243 1.00 0.00 H new ATOM 0 H4' DC B 108 -3.470 -14.632 8.312 1.00 0.00 H new ATOM 0 H3' DC B 108 -0.956 -15.359 7.849 1.00 0.00 H new ATOM 0 H2' DC B 108 -1.108 -14.986 5.347 1.00 0.00 H new ATOM 0 H2'' DC B 108 -1.271 -16.725 5.492 1.00 0.00 H new ATOM 0 HO3' DC B 108 -1.453 -17.522 7.751 1.00 0.00 H new ATOM 0 H1' DC B 108 -3.735 -16.611 5.418 1.00 0.00 H new ATOM 0 H41 DC B 108 -1.676 -13.796 -0.211 1.00 0.00 H new ATOM 0 H42 DC B 108 -2.048 -15.489 -0.554 1.00 0.00 H new ATOM 0 H5 DC B 108 -2.157 -12.768 1.955 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.863 -13.232 4.257 1.00 0.00 H new TER 515 DC B 108