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 -15:sc= 0.39 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -18:sc= 0.262 USER MOD Single : A 3 A O2' : rot -14:sc= 0.181 USER MOD Single : A 4 G O2' : rot -18:sc= 0.322 USER MOD Single : A 5 U O2' : rot -26:sc= 0.142 USER MOD Single : A 6 G O2' : rot -127:sc= 0.323 USER MOD Single : A 7 G O2' : rot -151:sc= 0.904 USER MOD Single : A 8 C O2' : rot -19:sc= 0.146 USER MOD Single : A 8 C O3' : rot 180:sc= 0.161 USER MOD Single : B 101 G O2' : rot -22:sc= 0.131 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -118:sc= 0.946 USER MOD Single : B 103 C O2' : rot -24:sc= 0.41 USER MOD Single : B 104 A O2' : rot -120:sc= 0.312 USER MOD Single : B 106 DT C7 :methyl 150:sc= -0.0349 (180deg=-0.0349) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -6.371 -13.915 -10.402 1.00 0.00 O ATOM 2 C5' G A 1 -5.933 -14.451 -9.162 1.00 0.00 C ATOM 3 C4' G A 1 -7.056 -14.458 -8.108 1.00 0.00 C ATOM 4 O4' G A 1 -6.581 -14.927 -6.849 1.00 0.00 O ATOM 5 C3' G A 1 -7.688 -13.077 -7.890 1.00 0.00 C ATOM 6 O3' G A 1 -8.849 -12.918 -8.690 1.00 0.00 O ATOM 7 C2' G A 1 -8.098 -13.178 -6.423 1.00 0.00 C ATOM 8 O2' G A 1 -9.355 -13.842 -6.369 1.00 0.00 O ATOM 9 C1' G A 1 -7.007 -14.044 -5.812 1.00 0.00 C ATOM 10 N9 G A 1 -5.854 -13.261 -5.307 1.00 0.00 N ATOM 11 C8 G A 1 -4.738 -12.835 -5.984 1.00 0.00 C ATOM 12 N7 G A 1 -3.775 -12.404 -5.219 1.00 0.00 N ATOM 13 C5 G A 1 -4.305 -12.507 -3.938 1.00 0.00 C ATOM 14 C6 G A 1 -3.706 -12.213 -2.673 1.00 0.00 C ATOM 15 O6 G A 1 -2.540 -11.890 -2.431 1.00 0.00 O ATOM 16 N1 G A 1 -4.600 -12.342 -1.619 1.00 0.00 N ATOM 17 C2 G A 1 -5.913 -12.723 -1.759 1.00 0.00 C ATOM 18 N2 G A 1 -6.681 -12.736 -0.678 1.00 0.00 N ATOM 19 N3 G A 1 -6.459 -13.116 -2.926 1.00 0.00 N ATOM 20 C4 G A 1 -5.606 -12.962 -3.985 1.00 0.00 C ATOM 0 H5' G A 1 -5.091 -13.866 -8.791 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.572 -15.468 -9.314 1.00 0.00 H new ATOM 0 H4' G A 1 -7.816 -15.130 -8.507 1.00 0.00 H new ATOM 0 H3' G A 1 -7.030 -12.244 -8.139 1.00 0.00 H new ATOM 0 H2' G A 1 -8.199 -12.222 -5.909 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.759 -13.850 -7.262 1.00 0.00 H new ATOM 0 HO5' G A 1 -5.630 -13.926 -11.043 1.00 0.00 H new ATOM 0 H1' G A 1 -7.403 -14.572 -4.944 1.00 0.00 H new ATOM 0 H8 G A 1 -4.664 -12.855 -7.061 1.00 0.00 H new ATOM 0 H1 G A 1 -4.260 -12.141 -0.679 1.00 0.00 H new ATOM 0 H21 G A 1 -7.660 -13.014 -0.751 1.00 0.00 H new ATOM 0 H22 G A 1 -6.293 -12.468 0.226 1.00 0.00 H new ATOM 33 P C A 2 -9.500 -11.488 -8.961 1.00 0.00 P ATOM 34 OP1 C A 2 -10.902 -11.827 -9.268 1.00 0.00 O ATOM 35 OP2 C A 2 -8.709 -10.816 -10.006 1.00 0.00 O ATOM 36 O5' C A 2 -9.449 -10.666 -7.579 1.00 0.00 O ATOM 37 C5' C A 2 -10.636 -10.180 -6.958 1.00 0.00 C ATOM 38 C4' C A 2 -10.484 -9.836 -5.465 1.00 0.00 C ATOM 39 O4' C A 2 -9.557 -10.708 -4.804 1.00 0.00 O ATOM 40 C3' C A 2 -10.091 -8.396 -5.101 1.00 0.00 C ATOM 41 O3' C A 2 -11.175 -7.467 -5.005 1.00 0.00 O ATOM 42 C2' C A 2 -9.593 -8.667 -3.686 1.00 0.00 C ATOM 43 O2' C A 2 -10.720 -8.792 -2.832 1.00 0.00 O ATOM 44 C1' C A 2 -8.886 -10.008 -3.747 1.00 0.00 C ATOM 45 N1 C A 2 -7.422 -9.793 -3.948 1.00 0.00 N ATOM 46 C2 C A 2 -6.608 -9.578 -2.822 1.00 0.00 C ATOM 47 O2 C A 2 -7.045 -9.637 -1.671 1.00 0.00 O ATOM 48 N3 C A 2 -5.278 -9.312 -2.993 1.00 0.00 N ATOM 49 C4 C A 2 -4.751 -9.265 -4.220 1.00 0.00 C ATOM 50 N4 C A 2 -3.458 -9.002 -4.359 1.00 0.00 N ATOM 51 C5 C A 2 -5.556 -9.469 -5.380 1.00 0.00 C ATOM 52 C6 C A 2 -6.877 -9.719 -5.204 1.00 0.00 C ATOM 0 H5' C A 2 -11.420 -10.929 -7.067 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.970 -9.289 -7.490 1.00 0.00 H new ATOM 0 H4' C A 2 -11.509 -9.971 -5.118 1.00 0.00 H new ATOM 0 H3' C A 2 -9.425 -7.944 -5.836 1.00 0.00 H new ATOM 0 H2' C A 2 -8.940 -7.875 -3.320 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.507 -8.408 -3.271 1.00 0.00 H new ATOM 0 H1' C A 2 -8.937 -10.601 -2.834 1.00 0.00 H new ATOM 0 H41 C A 2 -3.043 -8.963 -5.290 1.00 0.00 H new ATOM 0 H42 C A 2 -2.879 -8.839 -3.535 1.00 0.00 H new ATOM 0 H5 C A 2 -5.126 -9.426 -6.370 1.00 0.00 H new ATOM 0 H6 C A 2 -7.510 -9.862 -6.067 1.00 0.00 H new ATOM 64 P A A 3 -10.911 -5.879 -4.893 1.00 0.00 P ATOM 65 OP1 A A 3 -12.217 -5.205 -4.698 1.00 0.00 O ATOM 66 OP2 A A 3 -10.094 -5.493 -6.061 1.00 0.00 O ATOM 67 O5' A A 3 -10.077 -5.688 -3.534 1.00 0.00 O ATOM 68 C5' A A 3 -10.756 -5.692 -2.282 1.00 0.00 C ATOM 69 C4' A A 3 -9.888 -6.004 -1.051 1.00 0.00 C ATOM 70 O4' A A 3 -8.828 -6.903 -1.314 1.00 0.00 O ATOM 71 C3' A A 3 -9.283 -4.780 -0.373 1.00 0.00 C ATOM 72 O3' A A 3 -10.226 -4.261 0.547 1.00 0.00 O ATOM 73 C2' A A 3 -8.086 -5.397 0.352 1.00 0.00 C ATOM 74 O2' A A 3 -8.449 -5.943 1.611 1.00 0.00 O ATOM 75 C1' A A 3 -7.673 -6.533 -0.577 1.00 0.00 C ATOM 76 N9 A A 3 -6.578 -6.122 -1.480 1.00 0.00 N ATOM 77 C8 A A 3 -6.603 -5.895 -2.833 1.00 0.00 C ATOM 78 N7 A A 3 -5.423 -5.678 -3.366 1.00 0.00 N ATOM 79 C5 A A 3 -4.566 -5.740 -2.265 1.00 0.00 C ATOM 80 C6 A A 3 -3.167 -5.615 -2.113 1.00 0.00 C ATOM 81 N6 A A 3 -2.344 -5.374 -3.134 1.00 0.00 N ATOM 82 N1 A A 3 -2.630 -5.775 -0.893 1.00 0.00 N ATOM 83 C2 A A 3 -3.423 -6.017 0.151 1.00 0.00 C ATOM 84 N3 A A 3 -4.748 -6.137 0.146 1.00 0.00 N ATOM 85 C4 A A 3 -5.263 -5.994 -1.110 1.00 0.00 C ATOM 0 H5' A A 3 -11.562 -6.424 -2.330 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.220 -4.716 -2.138 1.00 0.00 H new ATOM 0 H4' A A 3 -10.611 -6.464 -0.378 1.00 0.00 H new ATOM 0 H3' A A 3 -9.009 -3.960 -1.036 1.00 0.00 H new ATOM 0 H2' A A 3 -7.308 -4.660 0.551 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.337 -5.617 1.865 1.00 0.00 H new ATOM 0 H1' A A 3 -7.293 -7.376 -0.001 1.00 0.00 H new ATOM 0 H8 A A 3 -7.516 -5.895 -3.410 1.00 0.00 H new ATOM 0 H61 A A 3 -1.340 -5.292 -2.972 1.00 0.00 H new ATOM 0 H62 A A 3 -2.718 -5.271 -4.077 1.00 0.00 H new ATOM 0 H2 A A 3 -2.935 -6.128 1.108 1.00 0.00 H new ATOM 97 P G A 4 -10.055 -2.851 1.237 1.00 0.00 P ATOM 98 OP1 G A 4 -11.100 -2.826 2.284 1.00 0.00 O ATOM 99 OP2 G A 4 -10.080 -1.824 0.177 1.00 0.00 O ATOM 100 O5' G A 4 -8.607 -2.844 1.930 1.00 0.00 O ATOM 101 C5' G A 4 -8.478 -3.102 3.311 1.00 0.00 C ATOM 102 C4' G A 4 -7.062 -3.386 3.818 1.00 0.00 C ATOM 103 O4' G A 4 -6.264 -4.064 2.861 1.00 0.00 O ATOM 104 C3' G A 4 -6.305 -2.138 4.294 1.00 0.00 C ATOM 105 O3' G A 4 -6.550 -1.883 5.678 1.00 0.00 O ATOM 106 C2' G A 4 -4.868 -2.609 4.103 1.00 0.00 C ATOM 107 O2' G A 4 -4.529 -3.411 5.222 1.00 0.00 O ATOM 108 C1' G A 4 -4.960 -3.489 2.865 1.00 0.00 C ATOM 109 N9 G A 4 -4.711 -2.733 1.621 1.00 0.00 N ATOM 110 C8 G A 4 -5.597 -2.294 0.675 1.00 0.00 C ATOM 111 N7 G A 4 -5.025 -1.817 -0.404 1.00 0.00 N ATOM 112 C5 G A 4 -3.656 -1.942 -0.150 1.00 0.00 C ATOM 113 C6 G A 4 -2.506 -1.653 -0.968 1.00 0.00 C ATOM 114 O6 G A 4 -2.479 -1.286 -2.151 1.00 0.00 O ATOM 115 N1 G A 4 -1.306 -1.849 -0.282 1.00 0.00 N ATOM 116 C2 G A 4 -1.224 -2.346 1.003 1.00 0.00 C ATOM 117 N2 G A 4 -0.042 -2.428 1.596 1.00 0.00 N ATOM 118 N3 G A 4 -2.285 -2.688 1.740 1.00 0.00 N ATOM 119 C4 G A 4 -3.468 -2.455 1.113 1.00 0.00 C ATOM 0 H5' G A 4 -9.108 -3.956 3.560 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.872 -2.245 3.857 1.00 0.00 H new ATOM 0 H4' G A 4 -7.224 -4.032 4.681 1.00 0.00 H new ATOM 0 H3' G A 4 -6.576 -1.219 3.774 1.00 0.00 H new ATOM 0 H2' G A 4 -4.135 -1.808 4.006 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.154 -3.230 5.955 1.00 0.00 H new ATOM 0 H1' G A 4 -4.190 -4.260 2.900 1.00 0.00 H new ATOM 0 H8 G A 4 -6.668 -2.337 0.805 1.00 0.00 H new ATOM 0 H1 G A 4 -0.437 -1.610 -0.760 1.00 0.00 H new ATOM 0 H21 G A 4 0.028 -2.794 2.545 1.00 0.00 H new ATOM 0 H22 G A 4 0.798 -2.125 1.103 1.00 0.00 H new ATOM 131 P U A 5 -6.197 -0.476 6.355 1.00 0.00 P ATOM 132 OP1 U A 5 -6.581 -0.591 7.782 1.00 0.00 O ATOM 133 OP2 U A 5 -6.809 0.586 5.543 1.00 0.00 O ATOM 134 O5' U A 5 -4.622 -0.341 6.264 1.00 0.00 O ATOM 135 C5' U A 5 -3.783 -0.906 7.249 1.00 0.00 C ATOM 136 C4' U A 5 -2.311 -0.786 6.863 1.00 0.00 C ATOM 137 O4' U A 5 -2.009 -1.345 5.593 1.00 0.00 O ATOM 138 C3' U A 5 -1.768 0.644 6.839 1.00 0.00 C ATOM 139 O3' U A 5 -1.481 1.135 8.137 1.00 0.00 O ATOM 140 C2' U A 5 -0.472 0.382 6.076 1.00 0.00 C ATOM 141 O2' U A 5 0.425 -0.217 6.999 1.00 0.00 O ATOM 142 C1' U A 5 -0.924 -0.613 5.014 1.00 0.00 C ATOM 143 N1 U A 5 -1.334 0.096 3.773 1.00 0.00 N ATOM 144 C2 U A 5 -0.334 0.411 2.846 1.00 0.00 C ATOM 145 O2 U A 5 0.870 0.272 3.089 1.00 0.00 O ATOM 146 N3 U A 5 -0.766 0.902 1.623 1.00 0.00 N ATOM 147 C4 U A 5 -2.071 1.249 1.311 1.00 0.00 C ATOM 148 O4 U A 5 -2.381 1.606 0.174 1.00 0.00 O ATOM 149 C5 U A 5 -3.005 1.076 2.400 1.00 0.00 C ATOM 150 C6 U A 5 -2.637 0.475 3.555 1.00 0.00 C ATOM 0 H5' U A 5 -4.040 -1.956 7.389 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.952 -0.407 8.203 1.00 0.00 H new ATOM 0 H4' U A 5 -1.829 -1.349 7.662 1.00 0.00 H new ATOM 0 H3' U A 5 -2.447 1.385 6.418 1.00 0.00 H new ATOM 0 H2' U A 5 0.022 1.251 5.640 1.00 0.00 H new ATOM 0 HO2' U A 5 0.185 0.052 7.910 1.00 0.00 H new ATOM 0 H1' U A 5 -0.119 -1.288 4.723 1.00 0.00 H new ATOM 0 H3 U A 5 -0.064 1.017 0.892 1.00 0.00 H new ATOM 0 H5 U A 5 -4.018 1.434 2.290 1.00 0.00 H new ATOM 0 H6 U A 5 -3.379 0.290 4.318 1.00 0.00 H new ATOM 161 P G A 6 -1.212 2.683 8.388 1.00 0.00 P ATOM 162 OP1 G A 6 -0.741 2.813 9.782 1.00 0.00 O ATOM 163 OP2 G A 6 -2.388 3.465 7.955 1.00 0.00 O ATOM 164 O5' G A 6 -0.037 3.040 7.394 1.00 0.00 O ATOM 165 C5' G A 6 1.317 2.856 7.742 1.00 0.00 C ATOM 166 C4' G A 6 2.223 3.517 6.701 1.00 0.00 C ATOM 167 O4' G A 6 2.224 2.917 5.408 1.00 0.00 O ATOM 168 C3' G A 6 1.807 4.959 6.501 1.00 0.00 C ATOM 169 O3' G A 6 2.263 5.741 7.590 1.00 0.00 O ATOM 170 C2' G A 6 2.580 5.238 5.220 1.00 0.00 C ATOM 171 O2' G A 6 3.938 5.451 5.574 1.00 0.00 O ATOM 172 C1' G A 6 2.438 3.945 4.427 1.00 0.00 C ATOM 173 N9 G A 6 1.335 4.005 3.429 1.00 0.00 N ATOM 174 C8 G A 6 0.012 3.674 3.597 1.00 0.00 C ATOM 175 N7 G A 6 -0.720 3.809 2.533 1.00 0.00 N ATOM 176 C5 G A 6 0.174 4.233 1.570 1.00 0.00 C ATOM 177 C6 G A 6 -0.064 4.495 0.189 1.00 0.00 C ATOM 178 O6 G A 6 -1.129 4.433 -0.425 1.00 0.00 O ATOM 179 N1 G A 6 1.086 4.854 -0.490 1.00 0.00 N ATOM 180 C2 G A 6 2.330 4.946 0.085 1.00 0.00 C ATOM 181 N2 G A 6 3.341 5.280 -0.713 1.00 0.00 N ATOM 182 N3 G A 6 2.579 4.697 1.392 1.00 0.00 N ATOM 183 C4 G A 6 1.447 4.344 2.090 1.00 0.00 C ATOM 0 H5' G A 6 1.542 1.792 7.808 1.00 0.00 H new ATOM 0 H5'' G A 6 1.509 3.284 8.726 1.00 0.00 H new ATOM 0 H4' G A 6 3.224 3.402 7.116 1.00 0.00 H new ATOM 0 H3' G A 6 0.739 5.169 6.444 1.00 0.00 H new ATOM 0 H2' G A 6 2.230 6.105 4.659 1.00 0.00 H new ATOM 0 HO2' G A 6 4.243 6.304 5.201 1.00 0.00 H new ATOM 0 H1' G A 6 3.330 3.751 3.831 1.00 0.00 H new ATOM 0 H8 G A 6 -0.387 3.329 4.539 1.00 0.00 H new ATOM 0 H1 G A 6 1.005 5.065 -1.485 1.00 0.00 H new ATOM 0 H21 G A 6 4.284 5.361 -0.334 1.00 0.00 H new ATOM 0 H22 G A 6 3.172 5.455 -1.704 1.00 0.00 H new ATOM 195 P G A 7 1.642 7.168 7.832 1.00 0.00 P ATOM 196 OP1 G A 7 2.326 7.727 9.027 1.00 0.00 O ATOM 197 OP2 G A 7 0.176 7.015 7.822 1.00 0.00 O ATOM 198 O5' G A 7 2.138 7.896 6.509 1.00 0.00 O ATOM 199 C5' G A 7 3.300 8.686 6.514 1.00 0.00 C ATOM 200 C4' G A 7 3.799 9.032 5.110 1.00 0.00 C ATOM 201 O4' G A 7 3.727 8.015 4.123 1.00 0.00 O ATOM 202 C3' G A 7 3.021 10.236 4.608 1.00 0.00 C ATOM 203 O3' G A 7 3.532 11.427 5.169 1.00 0.00 O ATOM 204 C2' G A 7 3.342 10.123 3.138 1.00 0.00 C ATOM 205 O2' G A 7 4.609 10.733 2.945 1.00 0.00 O ATOM 206 C1' G A 7 3.352 8.608 2.885 1.00 0.00 C ATOM 207 N9 G A 7 1.992 8.152 2.503 1.00 0.00 N ATOM 208 C8 G A 7 0.961 7.876 3.349 1.00 0.00 C ATOM 209 N7 G A 7 -0.191 7.695 2.769 1.00 0.00 N ATOM 210 C5 G A 7 0.100 7.806 1.415 1.00 0.00 C ATOM 211 C6 G A 7 -0.764 7.714 0.273 1.00 0.00 C ATOM 212 O6 G A 7 -1.977 7.486 0.231 1.00 0.00 O ATOM 213 N1 G A 7 -0.090 7.944 -0.916 1.00 0.00 N ATOM 214 C2 G A 7 1.257 8.206 -1.006 1.00 0.00 C ATOM 215 N2 G A 7 1.767 8.469 -2.199 1.00 0.00 N ATOM 216 N3 G A 7 2.083 8.269 0.050 1.00 0.00 N ATOM 217 C4 G A 7 1.443 8.076 1.240 1.00 0.00 C ATOM 0 H5' G A 7 4.087 8.159 7.053 1.00 0.00 H new ATOM 0 H5'' G A 7 3.102 9.608 7.060 1.00 0.00 H new ATOM 0 H4' G A 7 4.866 9.212 5.240 1.00 0.00 H new ATOM 0 H3' G A 7 1.958 10.260 4.849 1.00 0.00 H new ATOM 0 H2' G A 7 2.646 10.611 2.455 1.00 0.00 H new ATOM 0 HO2' G A 7 4.663 11.095 2.036 1.00 0.00 H new ATOM 0 H1' G A 7 4.035 8.336 2.080 1.00 0.00 H new ATOM 0 H8 G A 7 1.089 7.812 4.419 1.00 0.00 H new ATOM 0 H1 G A 7 -0.629 7.917 -1.782 1.00 0.00 H new ATOM 0 H21 G A 7 2.763 8.667 -2.296 1.00 0.00 H new ATOM 0 H22 G A 7 1.164 8.474 -3.022 1.00 0.00 H new ATOM 229 P C A 8 2.712 12.784 5.163 1.00 0.00 P ATOM 230 OP1 C A 8 3.667 13.779 5.701 1.00 0.00 O ATOM 231 OP2 C A 8 1.429 12.569 5.844 1.00 0.00 O ATOM 232 O5' C A 8 2.402 13.210 3.666 1.00 0.00 O ATOM 233 C5' C A 8 1.959 14.536 3.467 1.00 0.00 C ATOM 234 C4' C A 8 1.829 14.933 2.007 1.00 0.00 C ATOM 235 O4' C A 8 3.056 14.765 1.322 1.00 0.00 O ATOM 236 C3' C A 8 0.759 14.214 1.176 1.00 0.00 C ATOM 237 O3' C A 8 -0.571 14.675 1.369 1.00 0.00 O ATOM 238 C2' C A 8 1.257 14.613 -0.212 1.00 0.00 C ATOM 239 O2' C A 8 0.899 15.961 -0.479 1.00 0.00 O ATOM 240 C1' C A 8 2.780 14.535 -0.051 1.00 0.00 C ATOM 241 N1 C A 8 3.297 13.209 -0.476 1.00 0.00 N ATOM 242 C2 C A 8 3.803 13.084 -1.772 1.00 0.00 C ATOM 243 O2 C A 8 3.833 14.036 -2.555 1.00 0.00 O ATOM 244 N3 C A 8 4.263 11.871 -2.198 1.00 0.00 N ATOM 245 C4 C A 8 4.182 10.803 -1.398 1.00 0.00 C ATOM 246 N4 C A 8 4.596 9.637 -1.883 1.00 0.00 N ATOM 247 C5 C A 8 3.696 10.908 -0.061 1.00 0.00 C ATOM 248 C6 C A 8 3.257 12.117 0.356 1.00 0.00 C ATOM 0 H5' C A 8 2.654 15.218 3.957 1.00 0.00 H new ATOM 0 H5'' C A 8 0.992 14.662 3.954 1.00 0.00 H new ATOM 0 H4' C A 8 1.516 15.974 2.086 1.00 0.00 H new ATOM 0 H3' C A 8 0.671 13.153 1.408 1.00 0.00 H new ATOM 0 H2' C A 8 0.854 13.994 -1.014 1.00 0.00 H new ATOM 0 HO2' C A 8 0.178 16.234 0.126 1.00 0.00 H new ATOM 0 HO3' C A 8 -1.181 14.162 0.799 1.00 0.00 H new ATOM 0 H1' C A 8 3.272 15.277 -0.680 1.00 0.00 H new ATOM 0 H41 C A 8 4.550 8.799 -1.304 1.00 0.00 H new ATOM 0 H42 C A 8 4.959 9.581 -2.834 1.00 0.00 H new ATOM 0 H5 C A 8 3.679 10.051 0.596 1.00 0.00 H new ATOM 0 H6 C A 8 2.869 12.226 1.358 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.089 12.412 -5.776 1.00 0.00 O ATOM 263 C5' G B 101 -8.178 11.504 -6.356 1.00 0.00 C ATOM 264 C4' G B 101 -6.749 12.052 -6.388 1.00 0.00 C ATOM 265 O4' G B 101 -6.275 12.407 -5.090 1.00 0.00 O ATOM 266 C3' G B 101 -5.804 10.981 -6.931 1.00 0.00 C ATOM 267 O3' G B 101 -5.684 11.063 -8.335 1.00 0.00 O ATOM 268 C2' G B 101 -4.506 11.310 -6.214 1.00 0.00 C ATOM 269 O2' G B 101 -3.835 12.385 -6.847 1.00 0.00 O ATOM 270 C1' G B 101 -5.019 11.774 -4.857 1.00 0.00 C ATOM 271 N9 G B 101 -5.197 10.673 -3.879 1.00 0.00 N ATOM 272 C8 G B 101 -6.257 9.813 -3.724 1.00 0.00 C ATOM 273 N7 G B 101 -6.319 9.249 -2.547 1.00 0.00 N ATOM 274 C5 G B 101 -5.140 9.663 -1.925 1.00 0.00 C ATOM 275 C6 G B 101 -4.643 9.392 -0.609 1.00 0.00 C ATOM 276 O6 G B 101 -5.219 8.793 0.301 1.00 0.00 O ATOM 277 N1 G B 101 -3.395 9.955 -0.380 1.00 0.00 N ATOM 278 C2 G B 101 -2.711 10.715 -1.306 1.00 0.00 C ATOM 279 N2 G B 101 -1.552 11.254 -0.952 1.00 0.00 N ATOM 280 N3 G B 101 -3.221 11.080 -2.493 1.00 0.00 N ATOM 281 C4 G B 101 -4.422 10.490 -2.759 1.00 0.00 C ATOM 0 H5' G B 101 -8.498 11.271 -7.372 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.194 10.570 -5.795 1.00 0.00 H new ATOM 0 H4' G B 101 -6.768 12.941 -7.019 1.00 0.00 H new ATOM 0 H3' G B 101 -6.140 9.959 -6.756 1.00 0.00 H new ATOM 0 H2' G B 101 -3.802 10.479 -6.187 1.00 0.00 H new ATOM 0 HO2' G B 101 -4.140 12.460 -7.775 1.00 0.00 H new ATOM 0 HO5' G B 101 -9.987 12.021 -5.779 1.00 0.00 H new ATOM 0 H1' G B 101 -4.280 12.444 -4.418 1.00 0.00 H new ATOM 0 H8 G B 101 -6.976 9.620 -4.506 1.00 0.00 H new ATOM 0 H1 G B 101 -2.957 9.797 0.528 1.00 0.00 H new ATOM 0 H21 G B 101 -1.028 11.820 -1.619 1.00 0.00 H new ATOM 0 H22 G B 101 -1.185 11.103 -0.012 1.00 0.00 H new ATOM 294 P C B 102 -5.589 9.758 -9.226 1.00 0.00 P ATOM 295 OP1 C B 102 -5.635 10.234 -10.629 1.00 0.00 O ATOM 296 OP2 C B 102 -6.567 8.761 -8.757 1.00 0.00 O ATOM 297 O5' C B 102 -4.144 9.215 -8.885 1.00 0.00 O ATOM 298 C5' C B 102 -3.055 9.448 -9.751 1.00 0.00 C ATOM 299 C4' C B 102 -1.746 9.321 -9.002 1.00 0.00 C ATOM 300 O4' C B 102 -1.804 9.944 -7.723 1.00 0.00 O ATOM 301 C3' C B 102 -1.342 7.874 -8.766 1.00 0.00 C ATOM 302 O3' C B 102 -0.811 7.272 -9.935 1.00 0.00 O ATOM 303 C2' C B 102 -0.298 8.133 -7.690 1.00 0.00 C ATOM 304 O2' C B 102 0.846 8.628 -8.358 1.00 0.00 O ATOM 305 C1' C B 102 -0.951 9.223 -6.838 1.00 0.00 C ATOM 306 N1 C B 102 -1.694 8.639 -5.676 1.00 0.00 N ATOM 307 C2 C B 102 -1.071 8.656 -4.425 1.00 0.00 C ATOM 308 O2 C B 102 0.016 9.211 -4.247 1.00 0.00 O ATOM 309 N3 C B 102 -1.669 8.050 -3.363 1.00 0.00 N ATOM 310 C4 C B 102 -2.858 7.454 -3.495 1.00 0.00 C ATOM 311 N4 C B 102 -3.400 6.904 -2.417 1.00 0.00 N ATOM 312 C5 C B 102 -3.548 7.450 -4.752 1.00 0.00 C ATOM 313 C6 C B 102 -2.931 8.043 -5.808 1.00 0.00 C ATOM 0 H5' C B 102 -3.136 10.444 -10.187 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.080 8.736 -10.576 1.00 0.00 H new ATOM 0 H4' C B 102 -1.013 9.813 -9.641 1.00 0.00 H new ATOM 0 H3' C B 102 -2.136 7.178 -8.494 1.00 0.00 H new ATOM 0 H2' C B 102 -0.005 7.272 -7.089 1.00 0.00 H new ATOM 0 HO2' C B 102 1.599 8.017 -8.214 1.00 0.00 H new ATOM 0 H1' C B 102 -0.209 9.885 -6.391 1.00 0.00 H new ATOM 0 H41 C B 102 -4.306 6.441 -2.482 1.00 0.00 H new ATOM 0 H42 C B 102 -2.910 6.944 -1.523 1.00 0.00 H new ATOM 0 H5 C B 102 -4.521 6.993 -4.856 1.00 0.00 H new ATOM 0 H6 C B 102 -3.420 8.048 -6.771 1.00 0.00 H new ATOM 325 P C B 103 -0.661 5.686 -10.051 1.00 0.00 P ATOM 326 OP1 C B 103 -0.557 5.326 -11.482 1.00 0.00 O ATOM 327 OP2 C B 103 -1.714 5.049 -9.236 1.00 0.00 O ATOM 328 O5' C B 103 0.722 5.376 -9.334 1.00 0.00 O ATOM 329 C5' C B 103 1.981 5.773 -9.836 1.00 0.00 C ATOM 330 C4' C B 103 2.993 5.788 -8.673 1.00 0.00 C ATOM 331 O4' C B 103 2.481 6.512 -7.555 1.00 0.00 O ATOM 332 C3' C B 103 3.446 4.423 -8.153 1.00 0.00 C ATOM 333 O3' C B 103 4.594 3.974 -8.865 1.00 0.00 O ATOM 334 C2' C B 103 3.859 4.819 -6.732 1.00 0.00 C ATOM 335 O2' C B 103 5.156 5.384 -6.818 1.00 0.00 O ATOM 336 C1' C B 103 2.864 5.903 -6.325 1.00 0.00 C ATOM 337 N1 C B 103 1.707 5.380 -5.529 1.00 0.00 N ATOM 338 C2 C B 103 1.838 5.328 -4.132 1.00 0.00 C ATOM 339 O2 C B 103 2.891 5.628 -3.559 1.00 0.00 O ATOM 340 N3 C B 103 0.769 4.946 -3.376 1.00 0.00 N ATOM 341 C4 C B 103 -0.385 4.587 -3.954 1.00 0.00 C ATOM 342 N4 C B 103 -1.396 4.221 -3.184 1.00 0.00 N ATOM 343 C5 C B 103 -0.562 4.647 -5.368 1.00 0.00 C ATOM 344 C6 C B 103 0.499 5.048 -6.107 1.00 0.00 C ATOM 0 H5' C B 103 1.912 6.761 -10.290 1.00 0.00 H new ATOM 0 H5'' C B 103 2.311 5.086 -10.615 1.00 0.00 H new ATOM 0 H4' C B 103 3.864 6.267 -9.120 1.00 0.00 H new ATOM 0 H3' C B 103 2.704 3.628 -8.236 1.00 0.00 H new ATOM 0 H2' C B 103 3.865 3.988 -6.027 1.00 0.00 H new ATOM 0 HO2' C B 103 5.607 5.048 -7.621 1.00 0.00 H new ATOM 0 H1' C B 103 3.309 6.625 -5.641 1.00 0.00 H new ATOM 0 H41 C B 103 -2.283 3.944 -3.604 1.00 0.00 H new ATOM 0 H42 C B 103 -1.289 4.216 -2.170 1.00 0.00 H new ATOM 0 H5 C B 103 -1.502 4.384 -5.829 1.00 0.00 H new ATOM 0 H6 C B 103 0.397 5.110 -7.180 1.00 0.00 H new ATOM 356 P A B 104 5.077 2.461 -8.819 1.00 0.00 P ATOM 357 OP1 A B 104 6.356 2.443 -9.563 1.00 0.00 O ATOM 358 OP2 A B 104 3.973 1.623 -9.314 1.00 0.00 O ATOM 359 O5' A B 104 5.378 2.133 -7.287 1.00 0.00 O ATOM 360 C5' A B 104 6.672 2.349 -6.749 1.00 0.00 C ATOM 361 C4' A B 104 6.708 2.187 -5.231 1.00 0.00 C ATOM 362 O4' A B 104 5.748 3.013 -4.592 1.00 0.00 O ATOM 363 C3' A B 104 6.444 0.774 -4.720 1.00 0.00 C ATOM 364 O3' A B 104 7.598 -0.045 -4.783 1.00 0.00 O ATOM 365 C2' A B 104 6.102 1.096 -3.267 1.00 0.00 C ATOM 366 O2' A B 104 7.293 1.256 -2.523 1.00 0.00 O ATOM 367 C1' A B 104 5.348 2.414 -3.365 1.00 0.00 C ATOM 368 N9 A B 104 3.897 2.156 -3.317 1.00 0.00 N ATOM 369 C8 A B 104 3.009 2.019 -4.354 1.00 0.00 C ATOM 370 N7 A B 104 1.785 1.768 -3.972 1.00 0.00 N ATOM 371 C5 A B 104 1.883 1.719 -2.583 1.00 0.00 C ATOM 372 C6 A B 104 0.937 1.545 -1.552 1.00 0.00 C ATOM 373 N6 A B 104 -0.356 1.405 -1.782 1.00 0.00 N ATOM 374 N1 A B 104 1.341 1.535 -0.276 1.00 0.00 N ATOM 375 C2 A B 104 2.633 1.686 -0.012 1.00 0.00 C ATOM 376 N3 A B 104 3.634 1.868 -0.881 1.00 0.00 N ATOM 377 C4 A B 104 3.179 1.886 -2.172 1.00 0.00 C ATOM 0 H5' A B 104 7.009 3.352 -7.012 1.00 0.00 H new ATOM 0 H5'' A B 104 7.372 1.648 -7.203 1.00 0.00 H new ATOM 0 H4' A B 104 7.733 2.466 -4.986 1.00 0.00 H new ATOM 0 H3' A B 104 5.691 0.223 -5.284 1.00 0.00 H new ATOM 0 H2' A B 104 5.523 0.317 -2.771 1.00 0.00 H new ATOM 0 HO2' A B 104 7.316 0.599 -1.796 1.00 0.00 H new ATOM 0 H1' A B 104 5.573 3.085 -2.536 1.00 0.00 H new ATOM 0 H8 A B 104 3.296 2.110 -5.391 1.00 0.00 H new ATOM 0 H61 A B 104 -1.002 1.282 -1.003 1.00 0.00 H new ATOM 0 H62 A B 104 -0.708 1.420 -2.739 1.00 0.00 H new ATOM 0 H2 A B 104 2.910 1.659 1.031 1.00 0.00 H new ATOM 389 P DC B 105 7.497 -1.632 -4.768 1.00 0.00 P ATOM 390 OP1 DC B 105 8.844 -2.132 -5.102 1.00 0.00 O ATOM 391 OP2 DC B 105 6.366 -2.056 -5.612 1.00 0.00 O ATOM 392 O5' DC B 105 7.123 -2.024 -3.276 1.00 0.00 O ATOM 393 C5' DC B 105 8.063 -2.078 -2.228 1.00 0.00 C ATOM 394 C4' DC B 105 7.328 -2.020 -0.882 1.00 0.00 C ATOM 395 O4' DC B 105 6.311 -1.015 -0.917 1.00 0.00 O ATOM 396 C3' DC B 105 6.666 -3.324 -0.436 1.00 0.00 C ATOM 397 O3' DC B 105 7.572 -4.079 0.352 1.00 0.00 O ATOM 398 C2' DC B 105 5.535 -2.762 0.422 1.00 0.00 C ATOM 399 C1' DC B 105 5.130 -1.454 -0.246 1.00 0.00 C ATOM 400 N1 DC B 105 3.907 -1.618 -1.103 1.00 0.00 N ATOM 401 C2 DC B 105 2.658 -1.667 -0.471 1.00 0.00 C ATOM 402 O2 DC B 105 2.563 -1.604 0.757 1.00 0.00 O ATOM 403 N3 DC B 105 1.517 -1.792 -1.208 1.00 0.00 N ATOM 404 C4 DC B 105 1.583 -1.877 -2.540 1.00 0.00 C ATOM 405 N4 DC B 105 0.442 -2.005 -3.203 1.00 0.00 N ATOM 406 C5 DC B 105 2.842 -1.831 -3.224 1.00 0.00 C ATOM 407 C6 DC B 105 3.964 -1.696 -2.471 1.00 0.00 C ATOM 0 H5' DC B 105 8.763 -1.246 -2.309 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.648 -2.995 -2.296 1.00 0.00 H new ATOM 0 H4' DC B 105 8.115 -1.798 -0.161 1.00 0.00 H new ATOM 0 H3' DC B 105 6.345 -3.991 -1.236 1.00 0.00 H new ATOM 0 H2' DC B 105 4.695 -3.456 0.468 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.866 -2.593 1.447 1.00 0.00 H new ATOM 0 H1' DC B 105 4.805 -0.685 0.455 1.00 0.00 H new ATOM 0 H41 DC B 105 0.448 -2.073 -4.221 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.442 -2.035 -2.695 1.00 0.00 H new ATOM 0 H5 DC B 105 2.896 -1.901 -4.300 1.00 0.00 H new ATOM 0 H6 DC B 105 4.925 -1.649 -2.962 1.00 0.00 H new ATOM 419 P DT B 106 7.316 -5.597 0.764 1.00 0.00 P ATOM 420 OP1 DT B 106 8.393 -5.929 1.720 1.00 0.00 O ATOM 421 OP2 DT B 106 7.170 -6.394 -0.463 1.00 0.00 O ATOM 422 O5' DT B 106 5.929 -5.663 1.531 1.00 0.00 O ATOM 423 C5' DT B 106 5.813 -5.229 2.870 1.00 0.00 C ATOM 424 C4' DT B 106 4.363 -5.308 3.331 1.00 0.00 C ATOM 425 O4' DT B 106 3.538 -4.474 2.540 1.00 0.00 O ATOM 426 C3' DT B 106 3.775 -6.706 3.203 1.00 0.00 C ATOM 427 O3' DT B 106 4.164 -7.606 4.231 1.00 0.00 O ATOM 428 C2' DT B 106 2.291 -6.395 3.173 1.00 0.00 C ATOM 429 C1' DT B 106 2.250 -5.073 2.413 1.00 0.00 C ATOM 430 N1 DT B 106 1.868 -5.304 0.997 1.00 0.00 N ATOM 431 C2 DT B 106 0.507 -5.432 0.709 1.00 0.00 C ATOM 432 O2 DT B 106 -0.359 -5.525 1.585 1.00 0.00 O ATOM 433 N3 DT B 106 0.177 -5.460 -0.632 1.00 0.00 N ATOM 434 C4 DT B 106 1.060 -5.428 -1.697 1.00 0.00 C ATOM 435 O4 DT B 106 0.631 -5.416 -2.852 1.00 0.00 O ATOM 436 C5 DT B 106 2.464 -5.425 -1.307 1.00 0.00 C ATOM 437 C7 DT B 106 3.542 -5.458 -2.371 1.00 0.00 C ATOM 438 C6 DT B 106 2.815 -5.382 0.002 1.00 0.00 C ATOM 0 H5' DT B 106 6.174 -4.204 2.959 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.440 -5.845 3.514 1.00 0.00 H new ATOM 0 H4' DT B 106 4.383 -5.001 4.377 1.00 0.00 H new ATOM 0 H3' DT B 106 4.129 -7.250 2.328 1.00 0.00 H new ATOM 0 H2' DT B 106 1.723 -7.174 2.665 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.875 -6.300 4.176 1.00 0.00 H new ATOM 0 H1' DT B 106 1.497 -4.399 2.823 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.816 -5.509 -0.860 1.00 0.00 H new ATOM 0 H71 DT B 106 4.429 -4.939 -2.007 1.00 0.00 H new ATOM 0 H72 DT B 106 3.796 -6.493 -2.600 1.00 0.00 H new ATOM 0 H73 DT B 106 3.178 -4.966 -3.273 1.00 0.00 H new ATOM 0 H6 DT B 106 3.861 -5.410 0.269 1.00 0.00 H new ATOM 451 P DG B 107 3.856 -9.175 4.068 1.00 0.00 P ATOM 452 OP1 DG B 107 4.566 -9.903 5.134 1.00 0.00 O ATOM 453 OP2 DG B 107 4.077 -9.544 2.654 1.00 0.00 O ATOM 454 O5' DG B 107 2.304 -9.263 4.366 1.00 0.00 O ATOM 455 C5' DG B 107 1.782 -8.815 5.603 1.00 0.00 C ATOM 456 C4' DG B 107 0.277 -9.042 5.682 1.00 0.00 C ATOM 457 O4' DG B 107 -0.376 -8.435 4.570 1.00 0.00 O ATOM 458 C3' DG B 107 -0.023 -10.536 5.677 1.00 0.00 C ATOM 459 O3' DG B 107 -1.042 -10.853 6.610 1.00 0.00 O ATOM 460 C2' DG B 107 -0.417 -10.772 4.227 1.00 0.00 C ATOM 461 C1' DG B 107 -0.999 -9.435 3.779 1.00 0.00 C ATOM 462 N9 DG B 107 -0.826 -9.220 2.327 1.00 0.00 N ATOM 463 C8 DG B 107 0.335 -9.262 1.599 1.00 0.00 C ATOM 464 N7 DG B 107 0.162 -9.185 0.307 1.00 0.00 N ATOM 465 C5 DG B 107 -1.222 -9.098 0.168 1.00 0.00 C ATOM 466 C6 DG B 107 -2.021 -9.033 -1.017 1.00 0.00 C ATOM 467 O6 DG B 107 -1.638 -8.936 -2.183 1.00 0.00 O ATOM 468 N1 DG B 107 -3.381 -9.133 -0.757 1.00 0.00 N ATOM 469 C2 DG B 107 -3.927 -9.215 0.505 1.00 0.00 C ATOM 470 N2 DG B 107 -5.246 -9.352 0.601 1.00 0.00 N ATOM 471 N3 DG B 107 -3.195 -9.182 1.638 1.00 0.00 N ATOM 472 C4 DG B 107 -1.843 -9.148 1.397 1.00 0.00 C ATOM 0 H5' DG B 107 1.999 -7.754 5.729 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.275 -9.341 6.420 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.090 -8.594 6.605 1.00 0.00 H new ATOM 0 H3' DG B 107 0.805 -11.174 5.986 1.00 0.00 H new ATOM 0 H2' DG B 107 0.443 -11.056 3.621 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.148 -11.575 4.138 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.078 -9.405 3.930 1.00 0.00 H new ATOM 0 H8 DG B 107 1.310 -9.351 2.055 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.018 -9.147 -1.553 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.687 -9.416 1.519 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.817 -9.393 -0.243 1.00 0.00 H new ATOM 484 P DC B 108 -1.236 -12.356 7.129 1.00 0.00 P ATOM 485 OP1 DC B 108 -1.704 -12.329 8.532 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.042 -13.161 6.788 1.00 0.00 O ATOM 487 O5' DC B 108 -2.440 -12.902 6.248 1.00 0.00 O ATOM 488 C5' DC B 108 -3.640 -12.152 6.170 1.00 0.00 C ATOM 489 C4' DC B 108 -4.749 -12.842 5.373 1.00 0.00 C ATOM 490 O4' DC B 108 -4.323 -13.003 4.032 1.00 0.00 O ATOM 491 C3' DC B 108 -5.108 -14.233 5.904 1.00 0.00 C ATOM 492 O3' DC B 108 -6.493 -14.526 5.779 1.00 0.00 O ATOM 493 C2' DC B 108 -4.303 -15.148 4.995 1.00 0.00 C ATOM 494 C1' DC B 108 -4.320 -14.382 3.679 1.00 0.00 C ATOM 495 N1 DC B 108 -3.149 -14.701 2.815 1.00 0.00 N ATOM 496 C2 DC B 108 -3.293 -15.627 1.781 1.00 0.00 C ATOM 497 O2 DC B 108 -4.275 -16.377 1.707 1.00 0.00 O ATOM 498 N3 DC B 108 -2.328 -15.718 0.819 1.00 0.00 N ATOM 499 C4 DC B 108 -1.244 -14.928 0.882 1.00 0.00 C ATOM 500 N4 DC B 108 -0.372 -14.996 -0.110 1.00 0.00 N ATOM 501 C5 DC B 108 -1.009 -14.041 1.991 1.00 0.00 C ATOM 502 C6 DC B 108 -1.984 -13.987 2.939 1.00 0.00 C ATOM 0 H5' DC B 108 -3.425 -11.186 5.713 1.00 0.00 H new ATOM 0 H5'' DC B 108 -4.000 -11.954 7.180 1.00 0.00 H new ATOM 0 H4' DC B 108 -5.630 -12.206 5.461 1.00 0.00 H new ATOM 0 H3' DC B 108 -4.891 -14.336 6.967 1.00 0.00 H new ATOM 0 H2' DC B 108 -3.289 -15.301 5.365 1.00 0.00 H new ATOM 0 H2'' DC B 108 -4.760 -16.133 4.900 1.00 0.00 H new ATOM 0 HO3' DC B 108 -6.670 -15.424 6.130 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.196 -14.659 3.093 1.00 0.00 H new ATOM 0 H41 DC B 108 0.463 -14.411 -0.096 1.00 0.00 H new ATOM 0 H42 DC B 108 -0.535 -15.634 -0.889 1.00 0.00 H new ATOM 0 H5 DC B 108 -0.108 -13.450 2.067 1.00 0.00 H new ATOM 0 H6 DC B 108 -1.837 -13.367 3.811 1.00 0.00 H new TER 515 DC B 108