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 -109:sc= 1.29 USER MOD Single : A 1 G O5' : rot -23:sc= 0.146 USER MOD Single : A 2 C O2' : rot -28:sc= 0.436 USER MOD Single : A 3 A O2' : rot -31:sc= 0.18 USER MOD Single : A 4 G O2' : rot -15:sc= -0.14 USER MOD Single : A 5 U O2' : rot -14:sc= 0.26 USER MOD Single : A 6 G O2' : rot -30:sc= 0.284 USER MOD Single : A 7 G O2' : rot -80:sc= 1.12 USER MOD Single : A 8 C O2' : rot -17:sc= 0.0684 USER MOD Single : A 8 C O3' : rot 180:sc= 0.0735 USER MOD Single : B 101 G O2' : rot -20:sc= 0.191 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -24:sc= 0.366 USER MOD Single : B 103 C O2' : rot -20:sc= 0.0642 USER MOD Single : B 104 A O2' : rot -125:sc= 0.977 USER MOD Single : B 106 DT C7 :methyl 150:sc= -0.214 (180deg=-0.214) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -6.473 -18.013 -6.371 1.00 0.00 O ATOM 2 C5' G A 1 -6.686 -16.745 -6.988 1.00 0.00 C ATOM 3 C4' G A 1 -7.765 -15.949 -6.226 1.00 0.00 C ATOM 4 O4' G A 1 -7.524 -16.064 -4.819 1.00 0.00 O ATOM 5 C3' G A 1 -7.716 -14.443 -6.551 1.00 0.00 C ATOM 6 O3' G A 1 -8.754 -13.975 -7.388 1.00 0.00 O ATOM 7 C2' G A 1 -7.800 -13.819 -5.159 1.00 0.00 C ATOM 8 O2' G A 1 -9.147 -13.733 -4.724 1.00 0.00 O ATOM 9 C1' G A 1 -7.043 -14.826 -4.306 1.00 0.00 C ATOM 10 N9 G A 1 -5.559 -14.748 -4.435 1.00 0.00 N ATOM 11 C8 G A 1 -4.776 -13.935 -5.225 1.00 0.00 C ATOM 12 N7 G A 1 -3.493 -14.127 -5.099 1.00 0.00 N ATOM 13 C5 G A 1 -3.402 -15.090 -4.093 1.00 0.00 C ATOM 14 C6 G A 1 -2.251 -15.712 -3.498 1.00 0.00 C ATOM 15 O6 G A 1 -1.055 -15.531 -3.752 1.00 0.00 O ATOM 16 N1 G A 1 -2.594 -16.664 -2.544 1.00 0.00 N ATOM 17 C2 G A 1 -3.889 -17.002 -2.220 1.00 0.00 C ATOM 18 N2 G A 1 -4.078 -17.983 -1.351 1.00 0.00 N ATOM 19 N3 G A 1 -4.974 -16.430 -2.758 1.00 0.00 N ATOM 20 C4 G A 1 -4.663 -15.479 -3.690 1.00 0.00 C ATOM 0 H5' G A 1 -6.993 -16.885 -8.024 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.753 -16.181 -7.005 1.00 0.00 H new ATOM 0 H4' G A 1 -8.731 -16.357 -6.524 1.00 0.00 H new ATOM 0 H3' G A 1 -6.826 -14.186 -7.125 1.00 0.00 H new ATOM 0 H2' G A 1 -7.401 -12.806 -5.115 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.432 -12.795 -4.724 1.00 0.00 H new ATOM 0 HO5' G A 1 -6.755 -17.972 -5.433 1.00 0.00 H new ATOM 0 H1' G A 1 -7.211 -14.662 -3.242 1.00 0.00 H new ATOM 0 H8 G A 1 -5.192 -13.197 -5.895 1.00 0.00 H new ATOM 0 H1 G A 1 -1.838 -17.142 -2.053 1.00 0.00 H new ATOM 0 H21 G A 1 -5.025 -18.258 -1.090 1.00 0.00 H new ATOM 0 H22 G A 1 -3.277 -18.464 -0.943 1.00 0.00 H new ATOM 33 P C A 2 -8.722 -12.493 -7.990 1.00 0.00 P ATOM 34 OP1 C A 2 -9.826 -12.454 -8.961 1.00 0.00 O ATOM 35 OP2 C A 2 -7.336 -12.197 -8.413 1.00 0.00 O ATOM 36 O5' C A 2 -9.108 -11.547 -6.749 1.00 0.00 O ATOM 37 C5' C A 2 -10.392 -10.934 -6.618 1.00 0.00 C ATOM 38 C4' C A 2 -10.632 -10.384 -5.199 1.00 0.00 C ATOM 39 O4' C A 2 -9.973 -11.227 -4.254 1.00 0.00 O ATOM 40 C3' C A 2 -10.208 -8.936 -4.878 1.00 0.00 C ATOM 41 O3' C A 2 -11.261 -7.985 -4.978 1.00 0.00 O ATOM 42 C2' C A 2 -9.963 -9.084 -3.383 1.00 0.00 C ATOM 43 O2' C A 2 -11.229 -9.077 -2.736 1.00 0.00 O ATOM 44 C1' C A 2 -9.365 -10.450 -3.220 1.00 0.00 C ATOM 45 N1 C A 2 -7.877 -10.391 -3.285 1.00 0.00 N ATOM 46 C2 C A 2 -7.167 -10.363 -2.086 1.00 0.00 C ATOM 47 O2 C A 2 -7.658 -10.010 -1.005 1.00 0.00 O ATOM 48 N3 C A 2 -5.866 -10.763 -2.094 1.00 0.00 N ATOM 49 C4 C A 2 -5.234 -11.011 -3.252 1.00 0.00 C ATOM 50 N4 C A 2 -4.010 -11.510 -3.199 1.00 0.00 N ATOM 51 C5 C A 2 -5.878 -10.809 -4.508 1.00 0.00 C ATOM 52 C6 C A 2 -7.188 -10.468 -4.472 1.00 0.00 C ATOM 0 H5' C A 2 -11.167 -11.662 -6.860 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.481 -10.122 -7.340 1.00 0.00 H new ATOM 0 H4' C A 2 -11.720 -10.373 -5.137 1.00 0.00 H new ATOM 0 H3' C A 2 -9.410 -8.593 -5.536 1.00 0.00 H new ATOM 0 H2' C A 2 -9.328 -8.297 -2.976 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.868 -8.564 -3.273 1.00 0.00 H new ATOM 0 H1' C A 2 -9.559 -10.902 -2.247 1.00 0.00 H new ATOM 0 H41 C A 2 -3.503 -11.710 -4.061 1.00 0.00 H new ATOM 0 H42 C A 2 -3.573 -11.695 -2.296 1.00 0.00 H new ATOM 0 H5 C A 2 -5.347 -10.922 -5.442 1.00 0.00 H new ATOM 0 H6 C A 2 -7.703 -10.252 -5.396 1.00 0.00 H new ATOM 64 P A A 3 -11.027 -6.405 -4.813 1.00 0.00 P ATOM 65 OP1 A A 3 -12.395 -5.826 -4.767 1.00 0.00 O ATOM 66 OP2 A A 3 -10.074 -6.008 -5.865 1.00 0.00 O ATOM 67 O5' A A 3 -10.307 -6.149 -3.402 1.00 0.00 O ATOM 68 C5' A A 3 -11.040 -5.987 -2.197 1.00 0.00 C ATOM 69 C4' A A 3 -10.203 -6.195 -0.912 1.00 0.00 C ATOM 70 O4' A A 3 -9.226 -7.227 -1.008 1.00 0.00 O ATOM 71 C3' A A 3 -9.451 -4.956 -0.419 1.00 0.00 C ATOM 72 O3' A A 3 -10.230 -4.053 0.346 1.00 0.00 O ATOM 73 C2' A A 3 -8.415 -5.611 0.482 1.00 0.00 C ATOM 74 O2' A A 3 -9.029 -5.988 1.704 1.00 0.00 O ATOM 75 C1' A A 3 -8.037 -6.842 -0.323 1.00 0.00 C ATOM 76 N9 A A 3 -6.936 -6.528 -1.263 1.00 0.00 N ATOM 77 C8 A A 3 -6.970 -6.336 -2.621 1.00 0.00 C ATOM 78 N7 A A 3 -5.808 -6.075 -3.163 1.00 0.00 N ATOM 79 C5 A A 3 -4.942 -6.061 -2.074 1.00 0.00 C ATOM 80 C6 A A 3 -3.555 -5.838 -1.931 1.00 0.00 C ATOM 81 N6 A A 3 -2.762 -5.552 -2.962 1.00 0.00 N ATOM 82 N1 A A 3 -3.005 -5.921 -0.708 1.00 0.00 N ATOM 83 C2 A A 3 -3.779 -6.208 0.336 1.00 0.00 C ATOM 84 N3 A A 3 -5.092 -6.435 0.335 1.00 0.00 N ATOM 85 C4 A A 3 -5.622 -6.335 -0.914 1.00 0.00 C ATOM 0 H5' A A 3 -11.872 -6.692 -2.193 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.470 -4.986 -2.179 1.00 0.00 H new ATOM 0 H4' A A 3 -10.986 -6.465 -0.203 1.00 0.00 H new ATOM 0 H3' A A 3 -9.085 -4.343 -1.243 1.00 0.00 H new ATOM 0 H2' A A 3 -7.566 -4.977 0.738 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.754 -5.363 1.912 1.00 0.00 H new ATOM 0 H1' A A 3 -7.671 -7.652 0.307 1.00 0.00 H new ATOM 0 H8 A A 3 -7.882 -6.395 -3.196 1.00 0.00 H new ATOM 0 H61 A A 3 -1.765 -5.398 -2.811 1.00 0.00 H new ATOM 0 H62 A A 3 -3.152 -5.486 -3.902 1.00 0.00 H new ATOM 0 H2 A A 3 -3.286 -6.263 1.295 1.00 0.00 H new ATOM 97 P G A 4 -9.715 -2.557 0.632 1.00 0.00 P ATOM 98 OP1 G A 4 -10.726 -1.857 1.443 1.00 0.00 O ATOM 99 OP2 G A 4 -9.301 -1.948 -0.646 1.00 0.00 O ATOM 100 O5' G A 4 -8.412 -2.721 1.512 1.00 0.00 O ATOM 101 C5' G A 4 -8.473 -2.863 2.919 1.00 0.00 C ATOM 102 C4' G A 4 -7.139 -3.298 3.543 1.00 0.00 C ATOM 103 O4' G A 4 -6.396 -4.130 2.660 1.00 0.00 O ATOM 104 C3' G A 4 -6.213 -2.170 4.006 1.00 0.00 C ATOM 105 O3' G A 4 -6.443 -1.856 5.373 1.00 0.00 O ATOM 106 C2' G A 4 -4.856 -2.853 3.888 1.00 0.00 C ATOM 107 O2' G A 4 -4.654 -3.734 4.990 1.00 0.00 O ATOM 108 C1' G A 4 -5.028 -3.733 2.675 1.00 0.00 C ATOM 109 N9 G A 4 -4.625 -3.023 1.449 1.00 0.00 N ATOM 110 C8 G A 4 -5.402 -2.581 0.417 1.00 0.00 C ATOM 111 N7 G A 4 -4.743 -2.160 -0.627 1.00 0.00 N ATOM 112 C5 G A 4 -3.413 -2.255 -0.218 1.00 0.00 C ATOM 113 C6 G A 4 -2.209 -1.889 -0.901 1.00 0.00 C ATOM 114 O6 G A 4 -2.074 -1.475 -2.054 1.00 0.00 O ATOM 115 N1 G A 4 -1.084 -2.055 -0.104 1.00 0.00 N ATOM 116 C2 G A 4 -1.095 -2.576 1.170 1.00 0.00 C ATOM 117 N2 G A 4 0.047 -2.663 1.842 1.00 0.00 N ATOM 118 N3 G A 4 -2.205 -2.984 1.800 1.00 0.00 N ATOM 119 C4 G A 4 -3.333 -2.777 1.057 1.00 0.00 C ATOM 0 H5' G A 4 -9.240 -3.595 3.171 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.781 -1.915 3.360 1.00 0.00 H new ATOM 0 H4' G A 4 -7.458 -3.835 4.437 1.00 0.00 H new ATOM 0 H3' G A 4 -6.332 -1.242 3.446 1.00 0.00 H new ATOM 0 H2' G A 4 -4.036 -2.137 3.844 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.307 -3.534 5.693 1.00 0.00 H new ATOM 0 H1' G A 4 -4.387 -4.614 2.718 1.00 0.00 H new ATOM 0 H8 G A 4 -6.481 -2.580 0.462 1.00 0.00 H new ATOM 0 H1 G A 4 -0.184 -1.770 -0.491 1.00 0.00 H new ATOM 0 H21 G A 4 0.055 -3.047 2.787 1.00 0.00 H new ATOM 0 H22 G A 4 0.916 -2.346 1.413 1.00 0.00 H new ATOM 131 P U A 5 -5.893 -0.513 6.025 1.00 0.00 P ATOM 132 OP1 U A 5 -6.216 -0.612 7.458 1.00 0.00 O ATOM 133 OP2 U A 5 -6.462 0.616 5.277 1.00 0.00 O ATOM 134 O5' U A 5 -4.303 -0.559 5.865 1.00 0.00 O ATOM 135 C5' U A 5 -3.487 -1.316 6.746 1.00 0.00 C ATOM 136 C4' U A 5 -2.004 -1.261 6.363 1.00 0.00 C ATOM 137 O4' U A 5 -1.736 -1.611 5.013 1.00 0.00 O ATOM 138 C3' U A 5 -1.467 0.144 6.580 1.00 0.00 C ATOM 139 O3' U A 5 -1.097 0.318 7.934 1.00 0.00 O ATOM 140 C2' U A 5 -0.235 0.104 5.685 1.00 0.00 C ATOM 141 O2' U A 5 0.796 -0.562 6.394 1.00 0.00 O ATOM 142 C1' U A 5 -0.688 -0.771 4.520 1.00 0.00 C ATOM 143 N1 U A 5 -1.139 0.026 3.349 1.00 0.00 N ATOM 144 C2 U A 5 -0.166 0.430 2.427 1.00 0.00 C ATOM 145 O2 U A 5 1.043 0.335 2.643 1.00 0.00 O ATOM 146 N3 U A 5 -0.633 0.955 1.234 1.00 0.00 N ATOM 147 C4 U A 5 -1.955 1.216 0.924 1.00 0.00 C ATOM 148 O4 U A 5 -2.259 1.673 -0.176 1.00 0.00 O ATOM 149 C5 U A 5 -2.886 0.869 1.976 1.00 0.00 C ATOM 150 C6 U A 5 -2.473 0.275 3.120 1.00 0.00 C ATOM 0 H5' U A 5 -3.821 -2.353 6.745 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.611 -0.942 7.762 1.00 0.00 H new ATOM 0 H4' U A 5 -1.516 -1.997 7.002 1.00 0.00 H new ATOM 0 H3' U A 5 -2.166 0.951 6.359 1.00 0.00 H new ATOM 0 H2' U A 5 0.129 1.083 5.373 1.00 0.00 H new ATOM 0 HO2' U A 5 0.551 -0.630 7.340 1.00 0.00 H new ATOM 0 H1' U A 5 0.151 -1.364 4.156 1.00 0.00 H new ATOM 0 H3 U A 5 0.062 1.169 0.518 1.00 0.00 H new ATOM 0 H5 U A 5 -3.935 1.089 1.845 1.00 0.00 H new ATOM 0 H6 U A 5 -3.202 -0.008 3.865 1.00 0.00 H new ATOM 161 P G A 6 -0.885 1.778 8.519 1.00 0.00 P ATOM 162 OP1 G A 6 -0.072 1.631 9.742 1.00 0.00 O ATOM 163 OP2 G A 6 -2.232 2.381 8.624 1.00 0.00 O ATOM 164 O5' G A 6 -0.026 2.583 7.445 1.00 0.00 O ATOM 165 C5' G A 6 1.382 2.573 7.551 1.00 0.00 C ATOM 166 C4' G A 6 2.132 3.392 6.506 1.00 0.00 C ATOM 167 O4' G A 6 2.078 2.819 5.201 1.00 0.00 O ATOM 168 C3' G A 6 1.683 4.840 6.349 1.00 0.00 C ATOM 169 O3' G A 6 2.143 5.671 7.410 1.00 0.00 O ATOM 170 C2' G A 6 2.429 5.137 5.050 1.00 0.00 C ATOM 171 O2' G A 6 3.783 5.388 5.392 1.00 0.00 O ATOM 172 C1' G A 6 2.294 3.853 4.241 1.00 0.00 C ATOM 173 N9 G A 6 1.203 3.950 3.236 1.00 0.00 N ATOM 174 C8 G A 6 -0.126 3.621 3.341 1.00 0.00 C ATOM 175 N7 G A 6 -0.840 3.902 2.285 1.00 0.00 N ATOM 176 C5 G A 6 0.100 4.371 1.375 1.00 0.00 C ATOM 177 C6 G A 6 -0.060 4.756 0.006 1.00 0.00 C ATOM 178 O6 G A 6 -1.090 4.787 -0.667 1.00 0.00 O ATOM 179 N1 G A 6 1.129 5.144 -0.590 1.00 0.00 N ATOM 180 C2 G A 6 2.347 5.114 0.046 1.00 0.00 C ATOM 181 N2 G A 6 3.429 5.393 -0.668 1.00 0.00 N ATOM 182 N3 G A 6 2.519 4.779 1.333 1.00 0.00 N ATOM 183 C4 G A 6 1.354 4.401 1.943 1.00 0.00 C ATOM 0 H5' G A 6 1.725 1.540 7.490 1.00 0.00 H new ATOM 0 H5'' G A 6 1.656 2.942 8.539 1.00 0.00 H new ATOM 0 H4' G A 6 3.143 3.378 6.914 1.00 0.00 H new ATOM 0 H3' G A 6 0.606 5.007 6.351 1.00 0.00 H new ATOM 0 H2' G A 6 2.053 5.994 4.491 1.00 0.00 H new ATOM 0 HO2' G A 6 3.827 5.777 6.290 1.00 0.00 H new ATOM 0 H1' G A 6 3.187 3.647 3.650 1.00 0.00 H new ATOM 0 H8 G A 6 -0.547 3.166 4.226 1.00 0.00 H new ATOM 0 H1 G A 6 1.099 5.471 -1.556 1.00 0.00 H new ATOM 0 H21 G A 6 4.349 5.380 -0.227 1.00 0.00 H new ATOM 0 H22 G A 6 3.342 5.621 -1.658 1.00 0.00 H new ATOM 195 P G A 7 1.651 7.183 7.546 1.00 0.00 P ATOM 196 OP1 G A 7 2.282 7.752 8.758 1.00 0.00 O ATOM 197 OP2 G A 7 0.190 7.252 7.385 1.00 0.00 O ATOM 198 O5' G A 7 2.282 7.879 6.267 1.00 0.00 O ATOM 199 C5' G A 7 3.372 8.755 6.385 1.00 0.00 C ATOM 200 C4' G A 7 3.901 9.231 5.033 1.00 0.00 C ATOM 201 O4' G A 7 3.820 8.212 4.047 1.00 0.00 O ATOM 202 C3' G A 7 3.146 10.458 4.513 1.00 0.00 C ATOM 203 O3' G A 7 3.660 11.685 5.030 1.00 0.00 O ATOM 204 C2' G A 7 3.312 10.281 3.006 1.00 0.00 C ATOM 205 O2' G A 7 4.565 10.775 2.564 1.00 0.00 O ATOM 206 C1' G A 7 3.267 8.760 2.863 1.00 0.00 C ATOM 207 N9 G A 7 1.889 8.310 2.574 1.00 0.00 N ATOM 208 C8 G A 7 0.885 7.860 3.394 1.00 0.00 C ATOM 209 N7 G A 7 -0.242 7.628 2.775 1.00 0.00 N ATOM 210 C5 G A 7 0.044 7.924 1.447 1.00 0.00 C ATOM 211 C6 G A 7 -0.778 7.861 0.279 1.00 0.00 C ATOM 212 O6 G A 7 -1.960 7.541 0.189 1.00 0.00 O ATOM 213 N1 G A 7 -0.093 8.199 -0.874 1.00 0.00 N ATOM 214 C2 G A 7 1.235 8.541 -0.913 1.00 0.00 C ATOM 215 N2 G A 7 1.770 8.843 -2.077 1.00 0.00 N ATOM 216 N3 G A 7 2.005 8.679 0.173 1.00 0.00 N ATOM 217 C4 G A 7 1.353 8.323 1.317 1.00 0.00 C ATOM 0 H5' G A 7 4.175 8.257 6.929 1.00 0.00 H new ATOM 0 H5'' G A 7 3.074 9.620 6.978 1.00 0.00 H new ATOM 0 H4' G A 7 4.944 9.496 5.206 1.00 0.00 H new ATOM 0 H3' G A 7 2.103 10.520 4.823 1.00 0.00 H new ATOM 0 H2' G A 7 2.563 10.814 2.421 1.00 0.00 H new ATOM 0 HO2' G A 7 4.518 11.749 2.470 1.00 0.00 H new ATOM 0 H1' G A 7 3.858 8.409 2.017 1.00 0.00 H new ATOM 0 H8 G A 7 1.015 7.711 4.456 1.00 0.00 H new ATOM 0 H1 G A 7 -0.609 8.194 -1.754 1.00 0.00 H new ATOM 0 H21 G A 7 2.755 9.101 -2.134 1.00 0.00 H new ATOM 0 H22 G A 7 1.199 8.819 -2.922 1.00 0.00 H new ATOM 229 P C A 8 3.317 13.106 4.386 1.00 0.00 P ATOM 230 OP1 C A 8 4.310 13.317 3.309 1.00 0.00 O ATOM 231 OP2 C A 8 3.228 14.085 5.488 1.00 0.00 O ATOM 232 O5' C A 8 1.867 13.012 3.741 1.00 0.00 O ATOM 233 C5' C A 8 1.542 13.746 2.568 1.00 0.00 C ATOM 234 C4' C A 8 0.041 13.716 2.250 1.00 0.00 C ATOM 235 O4' C A 8 -0.452 12.413 1.959 1.00 0.00 O ATOM 236 C3' C A 8 -0.814 14.240 3.398 1.00 0.00 C ATOM 237 O3' C A 8 -0.852 15.648 3.487 1.00 0.00 O ATOM 238 C2' C A 8 -2.174 13.653 3.048 1.00 0.00 C ATOM 239 O2' C A 8 -2.838 14.406 2.038 1.00 0.00 O ATOM 240 C1' C A 8 -1.770 12.280 2.503 1.00 0.00 C ATOM 241 N1 C A 8 -1.839 11.254 3.581 1.00 0.00 N ATOM 242 C2 C A 8 -3.091 10.741 3.935 1.00 0.00 C ATOM 243 O2 C A 8 -4.138 11.218 3.477 1.00 0.00 O ATOM 244 N3 C A 8 -3.157 9.737 4.855 1.00 0.00 N ATOM 245 C4 C A 8 -2.049 9.261 5.432 1.00 0.00 C ATOM 246 N4 C A 8 -2.183 8.286 6.320 1.00 0.00 N ATOM 247 C5 C A 8 -0.774 9.867 5.195 1.00 0.00 C ATOM 248 C6 C A 8 -0.719 10.844 4.258 1.00 0.00 C ATOM 0 H5' C A 8 2.097 13.338 1.723 1.00 0.00 H new ATOM 0 H5'' C A 8 1.863 14.780 2.691 1.00 0.00 H new ATOM 0 H4' C A 8 -0.041 14.357 1.372 1.00 0.00 H new ATOM 0 H3' C A 8 -0.431 13.954 4.378 1.00 0.00 H new ATOM 0 H2' C A 8 -2.869 13.635 3.888 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.424 15.291 1.965 1.00 0.00 H new ATOM 0 HO3' C A 8 -1.418 15.913 4.242 1.00 0.00 H new ATOM 0 H1' C A 8 -2.452 11.944 1.722 1.00 0.00 H new ATOM 0 H41 C A 8 -1.359 7.898 6.780 1.00 0.00 H new ATOM 0 H42 C A 8 -3.110 7.923 6.543 1.00 0.00 H new ATOM 0 H5 C A 8 0.106 9.559 5.740 1.00 0.00 H new ATOM 0 H6 C A 8 0.230 11.311 4.039 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -8.905 13.160 -5.501 1.00 0.00 O ATOM 263 C5' G B 101 -8.100 12.002 -5.643 1.00 0.00 C ATOM 264 C4' G B 101 -6.678 12.413 -6.048 1.00 0.00 C ATOM 265 O4' G B 101 -5.960 12.970 -4.948 1.00 0.00 O ATOM 266 C3' G B 101 -5.847 11.249 -6.584 1.00 0.00 C ATOM 267 O3' G B 101 -5.985 11.119 -7.985 1.00 0.00 O ATOM 268 C2' G B 101 -4.435 11.669 -6.199 1.00 0.00 C ATOM 269 O2' G B 101 -3.913 12.592 -7.146 1.00 0.00 O ATOM 270 C1' G B 101 -4.646 12.403 -4.882 1.00 0.00 C ATOM 271 N9 G B 101 -4.505 11.497 -3.717 1.00 0.00 N ATOM 272 C8 G B 101 -5.484 10.755 -3.115 1.00 0.00 C ATOM 273 N7 G B 101 -5.171 10.317 -1.929 1.00 0.00 N ATOM 274 C5 G B 101 -3.850 10.732 -1.764 1.00 0.00 C ATOM 275 C6 G B 101 -2.979 10.592 -0.634 1.00 0.00 C ATOM 276 O6 G B 101 -3.226 10.142 0.483 1.00 0.00 O ATOM 277 N1 G B 101 -1.708 11.087 -0.880 1.00 0.00 N ATOM 278 C2 G B 101 -1.311 11.626 -2.083 1.00 0.00 C ATOM 279 N2 G B 101 -0.030 11.951 -2.219 1.00 0.00 N ATOM 280 N3 G B 101 -2.125 11.836 -3.133 1.00 0.00 N ATOM 281 C4 G B 101 -3.396 11.371 -2.902 1.00 0.00 C ATOM 0 H5' G B 101 -8.527 11.340 -6.396 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.076 11.446 -4.706 1.00 0.00 H new ATOM 0 H4' G B 101 -6.817 13.151 -6.838 1.00 0.00 H new ATOM 0 H3' G B 101 -6.140 10.277 -6.186 1.00 0.00 H new ATOM 0 H2' G B 101 -3.746 10.826 -6.146 1.00 0.00 H new ATOM 0 HO2' G B 101 -4.412 12.516 -7.986 1.00 0.00 H new ATOM 0 HO5' G B 101 -9.813 12.897 -5.244 1.00 0.00 H new ATOM 0 H1' G B 101 -3.889 13.175 -4.743 1.00 0.00 H new ATOM 0 H8 G B 101 -6.435 10.550 -3.583 1.00 0.00 H new ATOM 0 H1 G B 101 -1.025 11.050 -0.123 1.00 0.00 H new ATOM 0 H21 G B 101 0.304 12.353 -3.095 1.00 0.00 H new ATOM 0 H22 G B 101 0.619 11.798 -1.447 1.00 0.00 H new ATOM 294 P C B 102 -5.778 9.720 -8.705 1.00 0.00 P ATOM 295 OP1 C B 102 -5.930 9.956 -10.155 1.00 0.00 O ATOM 296 OP2 C B 102 -6.658 8.738 -8.028 1.00 0.00 O ATOM 297 O5' C B 102 -4.255 9.344 -8.444 1.00 0.00 O ATOM 298 C5' C B 102 -3.269 9.711 -9.395 1.00 0.00 C ATOM 299 C4' C B 102 -1.866 9.780 -8.809 1.00 0.00 C ATOM 300 O4' C B 102 -1.944 10.212 -7.473 1.00 0.00 O ATOM 301 C3' C B 102 -1.003 8.524 -8.868 1.00 0.00 C ATOM 302 O3' C B 102 -0.268 8.519 -10.088 1.00 0.00 O ATOM 303 C2' C B 102 -0.073 8.802 -7.698 1.00 0.00 C ATOM 304 O2' C B 102 0.972 9.648 -8.140 1.00 0.00 O ATOM 305 C1' C B 102 -0.963 9.551 -6.719 1.00 0.00 C ATOM 306 N1 C B 102 -1.577 8.723 -5.643 1.00 0.00 N ATOM 307 C2 C B 102 -0.946 8.753 -4.405 1.00 0.00 C ATOM 308 O2 C B 102 0.176 9.252 -4.268 1.00 0.00 O ATOM 309 N3 C B 102 -1.571 8.229 -3.321 1.00 0.00 N ATOM 310 C4 C B 102 -2.762 7.632 -3.433 1.00 0.00 C ATOM 311 N4 C B 102 -3.297 7.147 -2.322 1.00 0.00 N ATOM 312 C5 C B 102 -3.420 7.528 -4.702 1.00 0.00 C ATOM 313 C6 C B 102 -2.791 8.082 -5.774 1.00 0.00 C ATOM 0 H5' C B 102 -3.526 10.681 -9.819 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.278 8.992 -10.214 1.00 0.00 H new ATOM 0 H4' C B 102 -1.352 10.482 -9.466 1.00 0.00 H new ATOM 0 H3' C B 102 -1.535 7.574 -8.822 1.00 0.00 H new ATOM 0 H2' C B 102 0.379 7.909 -7.267 1.00 0.00 H new ATOM 0 HO2' C B 102 1.087 9.547 -9.108 1.00 0.00 H new ATOM 0 H1' C B 102 -0.330 10.245 -6.166 1.00 0.00 H new ATOM 0 H41 C B 102 -4.204 6.682 -2.354 1.00 0.00 H new ATOM 0 H42 C B 102 -2.801 7.239 -1.435 1.00 0.00 H new ATOM 0 H5 C B 102 -4.374 7.031 -4.803 1.00 0.00 H new ATOM 0 H6 C B 102 -3.252 8.018 -6.748 1.00 0.00 H new ATOM 325 P C B 103 0.482 7.238 -10.661 1.00 0.00 P ATOM 326 OP1 C B 103 1.243 7.771 -11.813 1.00 0.00 O ATOM 327 OP2 C B 103 -0.515 6.175 -10.867 1.00 0.00 O ATOM 328 O5' C B 103 1.514 6.795 -9.526 1.00 0.00 O ATOM 329 C5' C B 103 2.892 7.104 -9.642 1.00 0.00 C ATOM 330 C4' C B 103 3.684 6.820 -8.366 1.00 0.00 C ATOM 331 O4' C B 103 3.062 7.442 -7.257 1.00 0.00 O ATOM 332 C3' C B 103 3.915 5.361 -7.979 1.00 0.00 C ATOM 333 O3' C B 103 4.965 4.757 -8.712 1.00 0.00 O ATOM 334 C2' C B 103 4.303 5.563 -6.512 1.00 0.00 C ATOM 335 O2' C B 103 5.633 6.047 -6.375 1.00 0.00 O ATOM 336 C1' C B 103 3.343 6.677 -6.095 1.00 0.00 C ATOM 337 N1 C B 103 2.107 6.129 -5.469 1.00 0.00 N ATOM 338 C2 C B 103 2.111 5.979 -4.079 1.00 0.00 C ATOM 339 O2 C B 103 3.116 6.247 -3.407 1.00 0.00 O ATOM 340 N3 C B 103 0.981 5.539 -3.456 1.00 0.00 N ATOM 341 C4 C B 103 -0.113 5.238 -4.165 1.00 0.00 C ATOM 342 N4 C B 103 -1.173 4.776 -3.524 1.00 0.00 N ATOM 343 C5 C B 103 -0.148 5.385 -5.587 1.00 0.00 C ATOM 344 C6 C B 103 0.984 5.808 -6.201 1.00 0.00 C ATOM 0 H5' C B 103 3.001 8.157 -9.902 1.00 0.00 H new ATOM 0 H5'' C B 103 3.319 6.527 -10.462 1.00 0.00 H new ATOM 0 H4' C B 103 4.667 7.222 -8.612 1.00 0.00 H new ATOM 0 H3' C B 103 3.070 4.699 -8.167 1.00 0.00 H new ATOM 0 H2' C B 103 4.250 4.641 -5.933 1.00 0.00 H new ATOM 0 HO2' C B 103 6.135 5.862 -7.196 1.00 0.00 H new ATOM 0 H1' C B 103 3.797 7.310 -5.333 1.00 0.00 H new ATOM 0 H41 C B 103 -2.019 4.539 -4.042 1.00 0.00 H new ATOM 0 H42 C B 103 -1.145 4.656 -2.511 1.00 0.00 H new ATOM 0 H5 C B 103 -1.043 5.167 -6.151 1.00 0.00 H new ATOM 0 H6 C B 103 1.006 5.895 -7.277 1.00 0.00 H new ATOM 356 P A B 104 5.169 3.175 -8.737 1.00 0.00 P ATOM 357 OP1 A B 104 6.307 2.951 -9.653 1.00 0.00 O ATOM 358 OP2 A B 104 3.862 2.560 -9.045 1.00 0.00 O ATOM 359 O5' A B 104 5.563 2.736 -7.246 1.00 0.00 O ATOM 360 C5' A B 104 6.910 2.636 -6.817 1.00 0.00 C ATOM 361 C4' A B 104 6.991 2.346 -5.307 1.00 0.00 C ATOM 362 O4' A B 104 6.125 3.232 -4.602 1.00 0.00 O ATOM 363 C3' A B 104 6.611 0.930 -4.876 1.00 0.00 C ATOM 364 O3' A B 104 7.717 0.034 -4.905 1.00 0.00 O ATOM 365 C2' A B 104 6.157 1.184 -3.438 1.00 0.00 C ATOM 366 O2' A B 104 7.231 1.148 -2.512 1.00 0.00 O ATOM 367 C1' A B 104 5.542 2.578 -3.478 1.00 0.00 C ATOM 368 N9 A B 104 4.063 2.480 -3.565 1.00 0.00 N ATOM 369 C8 A B 104 3.233 2.474 -4.663 1.00 0.00 C ATOM 370 N7 A B 104 1.966 2.306 -4.383 1.00 0.00 N ATOM 371 C5 A B 104 1.964 2.143 -2.999 1.00 0.00 C ATOM 372 C6 A B 104 0.943 1.933 -2.048 1.00 0.00 C ATOM 373 N6 A B 104 -0.342 1.821 -2.374 1.00 0.00 N ATOM 374 N1 A B 104 1.271 1.827 -0.752 1.00 0.00 N ATOM 375 C2 A B 104 2.552 1.880 -0.394 1.00 0.00 C ATOM 376 N3 A B 104 3.610 2.065 -1.189 1.00 0.00 N ATOM 377 C4 A B 104 3.240 2.196 -2.497 1.00 0.00 C ATOM 0 H5' A B 104 7.436 3.564 -7.041 1.00 0.00 H new ATOM 0 H5'' A B 104 7.413 1.843 -7.370 1.00 0.00 H new ATOM 0 H4' A B 104 8.046 2.482 -5.070 1.00 0.00 H new ATOM 0 H3' A B 104 5.871 0.460 -5.524 1.00 0.00 H new ATOM 0 H2' A B 104 5.463 0.413 -3.103 1.00 0.00 H new ATOM 0 HO2' A B 104 7.030 0.502 -1.803 1.00 0.00 H new ATOM 0 H1' A B 104 5.744 3.152 -2.574 1.00 0.00 H new ATOM 0 H8 A B 104 3.597 2.598 -5.672 1.00 0.00 H new ATOM 0 H61 A B 104 -1.041 1.670 -1.647 1.00 0.00 H new ATOM 0 H62 A B 104 -0.628 1.887 -3.351 1.00 0.00 H new ATOM 0 H2 A B 104 2.760 1.760 0.659 1.00 0.00 H new ATOM 389 P DC B 105 7.503 -1.549 -4.895 1.00 0.00 P ATOM 390 OP1 DC B 105 8.827 -2.136 -5.187 1.00 0.00 O ATOM 391 OP2 DC B 105 6.392 -1.855 -5.818 1.00 0.00 O ATOM 392 O5' DC B 105 7.055 -1.939 -3.408 1.00 0.00 O ATOM 393 C5' DC B 105 7.965 -1.997 -2.319 1.00 0.00 C ATOM 394 C4' DC B 105 7.239 -1.944 -0.960 1.00 0.00 C ATOM 395 O4' DC B 105 6.206 -0.969 -1.032 1.00 0.00 O ATOM 396 C3' DC B 105 6.597 -3.264 -0.507 1.00 0.00 C ATOM 397 O3' DC B 105 7.503 -3.950 0.354 1.00 0.00 O ATOM 398 C2' DC B 105 5.432 -2.750 0.335 1.00 0.00 C ATOM 399 C1' DC B 105 5.048 -1.426 -0.323 1.00 0.00 C ATOM 400 N1 DC B 105 3.830 -1.535 -1.174 1.00 0.00 N ATOM 401 C2 DC B 105 2.579 -1.544 -0.544 1.00 0.00 C ATOM 402 O2 DC B 105 2.462 -1.650 0.681 1.00 0.00 O ATOM 403 N3 DC B 105 1.454 -1.454 -1.304 1.00 0.00 N ATOM 404 C4 DC B 105 1.538 -1.346 -2.633 1.00 0.00 C ATOM 405 N4 DC B 105 0.426 -1.198 -3.326 1.00 0.00 N ATOM 406 C5 DC B 105 2.792 -1.387 -3.312 1.00 0.00 C ATOM 407 C6 DC B 105 3.901 -1.500 -2.544 1.00 0.00 C ATOM 0 H5' DC B 105 8.667 -1.166 -2.388 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.550 -2.915 -2.383 1.00 0.00 H new ATOM 0 H4' DC B 105 8.011 -1.705 -0.229 1.00 0.00 H new ATOM 0 H3' DC B 105 6.323 -3.938 -1.319 1.00 0.00 H new ATOM 0 H2' DC B 105 4.598 -3.452 0.332 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.725 -2.607 1.375 1.00 0.00 H new ATOM 0 H1' DC B 105 4.761 -0.691 0.429 1.00 0.00 H new ATOM 0 H41 DC B 105 0.466 -1.113 -4.342 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.474 -1.168 -2.846 1.00 0.00 H new ATOM 0 H5 DC B 105 2.854 -1.331 -4.389 1.00 0.00 H new ATOM 0 H6 DC B 105 4.867 -1.564 -3.022 1.00 0.00 H new ATOM 419 P DT B 106 7.411 -5.521 0.650 1.00 0.00 P ATOM 420 OP1 DT B 106 8.471 -5.790 1.648 1.00 0.00 O ATOM 421 OP2 DT B 106 7.492 -6.191 -0.652 1.00 0.00 O ATOM 422 O5' DT B 106 6.006 -5.870 1.338 1.00 0.00 O ATOM 423 C5' DT B 106 5.781 -5.626 2.722 1.00 0.00 C ATOM 424 C4' DT B 106 4.321 -5.862 3.121 1.00 0.00 C ATOM 425 O4' DT B 106 3.506 -4.989 2.361 1.00 0.00 O ATOM 426 C3' DT B 106 3.764 -7.276 2.904 1.00 0.00 C ATOM 427 O3' DT B 106 4.089 -8.118 4.013 1.00 0.00 O ATOM 428 C2' DT B 106 2.274 -6.947 2.809 1.00 0.00 C ATOM 429 C1' DT B 106 2.197 -5.526 2.268 1.00 0.00 C ATOM 430 N1 DT B 106 1.666 -5.473 0.882 1.00 0.00 N ATOM 431 C2 DT B 106 0.283 -5.542 0.707 1.00 0.00 C ATOM 432 O2 DT B 106 -0.488 -5.854 1.616 1.00 0.00 O ATOM 433 N3 DT B 106 -0.202 -5.228 -0.546 1.00 0.00 N ATOM 434 C4 DT B 106 0.571 -4.937 -1.655 1.00 0.00 C ATOM 435 O4 DT B 106 0.014 -4.648 -2.715 1.00 0.00 O ATOM 436 C5 DT B 106 2.013 -5.015 -1.426 1.00 0.00 C ATOM 437 C7 DT B 106 2.980 -4.822 -2.574 1.00 0.00 C ATOM 438 C6 DT B 106 2.503 -5.265 -0.184 1.00 0.00 C ATOM 0 H5' DT B 106 6.059 -4.599 2.958 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.427 -6.275 3.313 1.00 0.00 H new ATOM 0 H4' DT B 106 4.304 -5.690 4.197 1.00 0.00 H new ATOM 0 H3' DT B 106 4.150 -7.826 2.046 1.00 0.00 H new ATOM 0 H2' DT B 106 1.761 -7.645 2.148 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.794 -7.020 3.785 1.00 0.00 H new ATOM 0 H1' DT B 106 1.493 -4.934 2.853 1.00 0.00 H new ATOM 0 H3 DT B 106 -1.215 -5.209 -0.664 1.00 0.00 H new ATOM 0 H71 DT B 106 3.909 -4.392 -2.199 1.00 0.00 H new ATOM 0 H72 DT B 106 3.188 -5.785 -3.040 1.00 0.00 H new ATOM 0 H73 DT B 106 2.541 -4.150 -3.311 1.00 0.00 H new ATOM 0 H6 DT B 106 3.572 -5.301 -0.033 1.00 0.00 H new ATOM 451 P DG B 107 3.534 -9.617 4.208 1.00 0.00 P ATOM 452 OP1 DG B 107 4.193 -10.212 5.390 1.00 0.00 O ATOM 453 OP2 DG B 107 3.572 -10.371 2.936 1.00 0.00 O ATOM 454 O5' DG B 107 1.989 -9.499 4.571 1.00 0.00 O ATOM 455 C5' DG B 107 1.570 -8.827 5.747 1.00 0.00 C ATOM 456 C4' DG B 107 0.041 -8.739 5.849 1.00 0.00 C ATOM 457 O4' DG B 107 -0.542 -8.348 4.610 1.00 0.00 O ATOM 458 C3' DG B 107 -0.602 -10.072 6.217 1.00 0.00 C ATOM 459 O3' DG B 107 -1.800 -9.811 6.931 1.00 0.00 O ATOM 460 C2' DG B 107 -0.941 -10.649 4.863 1.00 0.00 C ATOM 461 C1' DG B 107 -1.388 -9.395 4.142 1.00 0.00 C ATOM 462 N9 DG B 107 -1.299 -9.554 2.682 1.00 0.00 N ATOM 463 C8 DG B 107 -0.174 -9.721 1.930 1.00 0.00 C ATOM 464 N7 DG B 107 -0.383 -9.698 0.638 1.00 0.00 N ATOM 465 C5 DG B 107 -1.771 -9.571 0.549 1.00 0.00 C ATOM 466 C6 DG B 107 -2.617 -9.502 -0.601 1.00 0.00 C ATOM 467 O6 DG B 107 -2.290 -9.442 -1.790 1.00 0.00 O ATOM 468 N1 DG B 107 -3.963 -9.545 -0.274 1.00 0.00 N ATOM 469 C2 DG B 107 -4.457 -9.584 1.010 1.00 0.00 C ATOM 470 N2 DG B 107 -5.771 -9.670 1.184 1.00 0.00 N ATOM 471 N3 DG B 107 -3.681 -9.636 2.104 1.00 0.00 N ATOM 472 C4 DG B 107 -2.347 -9.598 1.800 1.00 0.00 C ATOM 0 H5' DG B 107 1.992 -7.822 5.759 1.00 0.00 H new ATOM 0 H5'' DG B 107 1.962 -9.348 6.621 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.144 -8.001 6.630 1.00 0.00 H new ATOM 0 H3' DG B 107 0.022 -10.724 6.829 1.00 0.00 H new ATOM 0 H2' DG B 107 -0.082 -11.120 4.385 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.728 -11.401 4.917 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.435 -9.173 4.349 1.00 0.00 H new ATOM 0 H8 DG B 107 0.805 -9.860 2.363 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.636 -9.548 -1.040 1.00 0.00 H new ATOM 0 H21 DG B 107 -6.160 -9.700 2.127 1.00 0.00 H new ATOM 0 H22 DG B 107 -6.391 -9.706 0.375 1.00 0.00 H new ATOM 484 P DC B 108 -1.866 -9.901 8.521 1.00 0.00 P ATOM 485 OP1 DC B 108 -2.582 -8.710 9.013 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.529 -10.215 9.062 1.00 0.00 O ATOM 487 O5' DC B 108 -2.816 -11.159 8.761 1.00 0.00 O ATOM 488 C5' DC B 108 -2.831 -12.234 7.842 1.00 0.00 C ATOM 489 C4' DC B 108 -3.923 -13.250 8.178 1.00 0.00 C ATOM 490 O4' DC B 108 -4.571 -13.643 6.971 1.00 0.00 O ATOM 491 C3' DC B 108 -3.368 -14.525 8.813 1.00 0.00 C ATOM 492 O3' DC B 108 -4.329 -15.167 9.642 1.00 0.00 O ATOM 493 C2' DC B 108 -3.066 -15.367 7.578 1.00 0.00 C ATOM 494 C1' DC B 108 -4.144 -14.949 6.574 1.00 0.00 C ATOM 495 N1 DC B 108 -3.641 -15.009 5.171 1.00 0.00 N ATOM 496 C2 DC B 108 -3.786 -16.196 4.440 1.00 0.00 C ATOM 497 O2 DC B 108 -4.440 -17.165 4.854 1.00 0.00 O ATOM 498 N3 DC B 108 -3.176 -16.320 3.223 1.00 0.00 N ATOM 499 C4 DC B 108 -2.464 -15.293 2.722 1.00 0.00 C ATOM 500 N4 DC B 108 -1.863 -15.474 1.556 1.00 0.00 N ATOM 501 C5 DC B 108 -2.306 -14.066 3.433 1.00 0.00 C ATOM 502 C6 DC B 108 -2.915 -13.967 4.639 1.00 0.00 C ATOM 0 H5' DC B 108 -1.860 -12.729 7.845 1.00 0.00 H new ATOM 0 H5'' DC B 108 -2.989 -11.849 6.835 1.00 0.00 H new ATOM 0 H4' DC B 108 -4.598 -12.767 8.884 1.00 0.00 H new ATOM 0 H3' DC B 108 -2.513 -14.353 9.466 1.00 0.00 H new ATOM 0 H2' DC B 108 -2.065 -15.169 7.195 1.00 0.00 H new ATOM 0 H2'' DC B 108 -3.118 -16.433 7.799 1.00 0.00 H new ATOM 0 HO3' DC B 108 -3.938 -15.978 10.028 1.00 0.00 H new ATOM 0 H1' DC B 108 -4.992 -15.634 6.582 1.00 0.00 H new ATOM 0 H41 DC B 108 -1.314 -14.720 1.143 1.00 0.00 H new ATOM 0 H42 DC B 108 -1.949 -16.367 1.071 1.00 0.00 H new ATOM 0 H5 DC B 108 -1.726 -13.251 3.027 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.829 -13.047 5.198 1.00 0.00 H new TER 515 DC B 108