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 -123:sc= 0.809 USER MOD Single : A 1 G O5' : rot -24:sc= 0.135 USER MOD Single : A 2 C O2' : rot -157:sc= 0.8 USER MOD Single : A 3 A O2' : rot -27:sc= 0.356 USER MOD Single : A 4 G O2' : rot -15:sc= 0.246 USER MOD Single : A 5 U O2' : rot -26:sc= 0.246 USER MOD Single : A 6 G O2' : rot -18:sc= 0.0899 USER MOD Single : A 7 G O2' : rot -33:sc= 0.452 USER MOD Single : A 8 C O2' : rot -23:sc= 0.349 USER MOD Single : A 8 C O3' : rot 179:sc= 1.56 USER MOD Single : B 101 G O2' : rot -129:sc= 1.25 USER MOD Single : B 101 G O5' : rot -31:sc= 0.344 USER MOD Single : B 102 C O2' : rot -116:sc= 0.198 USER MOD Single : B 103 C O2' : rot -19:sc= 0.176 USER MOD Single : B 104 A O2' : rot -17:sc= 0.224 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 -6.574 -17.658 -7.579 1.00 0.00 O ATOM 2 C5' G A 1 -6.944 -16.331 -7.929 1.00 0.00 C ATOM 3 C4' G A 1 -7.768 -15.693 -6.804 1.00 0.00 C ATOM 4 O4' G A 1 -7.148 -15.954 -5.554 1.00 0.00 O ATOM 5 C3' G A 1 -7.878 -14.166 -6.926 1.00 0.00 C ATOM 6 O3' G A 1 -8.935 -13.764 -7.790 1.00 0.00 O ATOM 7 C2' G A 1 -8.140 -13.812 -5.466 1.00 0.00 C ATOM 8 O2' G A 1 -9.509 -13.976 -5.144 1.00 0.00 O ATOM 9 C1' G A 1 -7.286 -14.825 -4.705 1.00 0.00 C ATOM 10 N9 G A 1 -5.949 -14.274 -4.375 1.00 0.00 N ATOM 11 C8 G A 1 -4.835 -14.161 -5.172 1.00 0.00 C ATOM 12 N7 G A 1 -3.787 -13.681 -4.562 1.00 0.00 N ATOM 13 C5 G A 1 -4.233 -13.455 -3.262 1.00 0.00 C ATOM 14 C6 G A 1 -3.533 -12.961 -2.115 1.00 0.00 C ATOM 15 O6 G A 1 -2.346 -12.661 -2.011 1.00 0.00 O ATOM 16 N1 G A 1 -4.340 -12.846 -0.994 1.00 0.00 N ATOM 17 C2 G A 1 -5.660 -13.227 -0.954 1.00 0.00 C ATOM 18 N2 G A 1 -6.271 -13.186 0.220 1.00 0.00 N ATOM 19 N3 G A 1 -6.318 -13.756 -2.002 1.00 0.00 N ATOM 20 C4 G A 1 -5.557 -13.812 -3.139 1.00 0.00 C ATOM 0 H5' G A 1 -7.523 -16.339 -8.853 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.051 -15.735 -8.118 1.00 0.00 H new ATOM 0 H4' G A 1 -8.764 -16.128 -6.879 1.00 0.00 H new ATOM 0 H3' G A 1 -7.012 -13.673 -7.368 1.00 0.00 H new ATOM 0 H2' G A 1 -7.898 -12.776 -5.228 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.867 -13.132 -4.797 1.00 0.00 H new ATOM 0 HO5' G A 1 -6.568 -17.749 -6.603 1.00 0.00 H new ATOM 0 H1' G A 1 -7.762 -15.084 -3.759 1.00 0.00 H new ATOM 0 H8 G A 1 -4.828 -14.445 -6.214 1.00 0.00 H new ATOM 0 H1 G A 1 -3.929 -12.455 -0.147 1.00 0.00 H new ATOM 0 H21 G A 1 -7.251 -13.460 0.295 1.00 0.00 H new ATOM 0 H22 G A 1 -5.762 -12.880 1.049 1.00 0.00 H new ATOM 33 P C A 2 -9.022 -12.268 -8.360 1.00 0.00 P ATOM 34 OP1 C A 2 -10.187 -12.251 -9.273 1.00 0.00 O ATOM 35 OP2 C A 2 -7.693 -11.949 -8.919 1.00 0.00 O ATOM 36 O5' C A 2 -9.276 -11.332 -7.081 1.00 0.00 O ATOM 37 C5' C A 2 -10.575 -11.010 -6.603 1.00 0.00 C ATOM 38 C4' C A 2 -10.529 -10.454 -5.164 1.00 0.00 C ATOM 39 O4' C A 2 -9.686 -11.286 -4.355 1.00 0.00 O ATOM 40 C3' C A 2 -10.003 -9.024 -4.989 1.00 0.00 C ATOM 41 O3' C A 2 -10.941 -7.962 -5.115 1.00 0.00 O ATOM 42 C2' C A 2 -9.538 -9.108 -3.541 1.00 0.00 C ATOM 43 O2' C A 2 -10.592 -9.003 -2.602 1.00 0.00 O ATOM 44 C1' C A 2 -8.984 -10.501 -3.383 1.00 0.00 C ATOM 45 N1 C A 2 -7.503 -10.448 -3.554 1.00 0.00 N ATOM 46 C2 C A 2 -6.701 -10.218 -2.428 1.00 0.00 C ATOM 47 O2 C A 2 -7.176 -10.100 -1.293 1.00 0.00 O ATOM 48 N3 C A 2 -5.351 -10.093 -2.583 1.00 0.00 N ATOM 49 C4 C A 2 -4.797 -10.179 -3.800 1.00 0.00 C ATOM 50 N4 C A 2 -3.485 -10.046 -3.899 1.00 0.00 N ATOM 51 C5 C A 2 -5.587 -10.413 -4.969 1.00 0.00 C ATOM 52 C6 C A 2 -6.924 -10.514 -4.795 1.00 0.00 C ATOM 0 H5' C A 2 -11.204 -11.900 -6.630 1.00 0.00 H new ATOM 0 H5'' C A 2 -11.034 -10.275 -7.263 1.00 0.00 H new ATOM 0 H4' C A 2 -11.578 -10.445 -4.868 1.00 0.00 H new ATOM 0 H3' C A 2 -9.280 -8.774 -5.765 1.00 0.00 H new ATOM 0 H2' C A 2 -8.838 -8.293 -3.354 1.00 0.00 H new ATOM 0 HO2' C A 2 -10.234 -8.702 -1.741 1.00 0.00 H new ATOM 0 H1' C A 2 -9.132 -10.951 -2.401 1.00 0.00 H new ATOM 0 H41 C A 2 -3.034 -10.107 -4.812 1.00 0.00 H new ATOM 0 H42 C A 2 -2.924 -9.883 -3.063 1.00 0.00 H new ATOM 0 H5 C A 2 -5.136 -10.505 -5.946 1.00 0.00 H new ATOM 0 H6 C A 2 -7.555 -10.651 -5.660 1.00 0.00 H new ATOM 64 P A A 3 -10.458 -6.426 -5.028 1.00 0.00 P ATOM 65 OP1 A A 3 -11.626 -5.543 -5.225 1.00 0.00 O ATOM 66 OP2 A A 3 -9.287 -6.289 -5.913 1.00 0.00 O ATOM 67 O5' A A 3 -9.910 -6.191 -3.545 1.00 0.00 O ATOM 68 C5' A A 3 -10.759 -5.948 -2.453 1.00 0.00 C ATOM 69 C4' A A 3 -10.044 -6.236 -1.122 1.00 0.00 C ATOM 70 O4' A A 3 -9.104 -7.303 -1.158 1.00 0.00 O ATOM 71 C3' A A 3 -9.298 -5.024 -0.573 1.00 0.00 C ATOM 72 O3' A A 3 -10.151 -4.195 0.191 1.00 0.00 O ATOM 73 C2' A A 3 -8.297 -5.702 0.350 1.00 0.00 C ATOM 74 O2' A A 3 -9.012 -6.037 1.529 1.00 0.00 O ATOM 75 C1' A A 3 -7.916 -6.929 -0.463 1.00 0.00 C ATOM 76 N9 A A 3 -6.808 -6.609 -1.398 1.00 0.00 N ATOM 77 C8 A A 3 -6.827 -6.382 -2.755 1.00 0.00 C ATOM 78 N7 A A 3 -5.681 -6.036 -3.270 1.00 0.00 N ATOM 79 C5 A A 3 -4.843 -6.012 -2.159 1.00 0.00 C ATOM 80 C6 A A 3 -3.482 -5.696 -1.989 1.00 0.00 C ATOM 81 N6 A A 3 -2.715 -5.254 -2.982 1.00 0.00 N ATOM 82 N1 A A 3 -2.928 -5.857 -0.780 1.00 0.00 N ATOM 83 C2 A A 3 -3.688 -6.248 0.243 1.00 0.00 C ATOM 84 N3 A A 3 -4.984 -6.546 0.229 1.00 0.00 N ATOM 85 C4 A A 3 -5.505 -6.409 -1.023 1.00 0.00 C ATOM 0 H5' A A 3 -11.649 -6.572 -2.534 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.094 -4.911 -2.473 1.00 0.00 H new ATOM 0 H4' A A 3 -10.876 -6.518 -0.477 1.00 0.00 H new ATOM 0 H3' A A 3 -8.872 -4.383 -1.345 1.00 0.00 H new ATOM 0 H2' A A 3 -7.420 -5.127 0.649 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.763 -5.418 1.643 1.00 0.00 H new ATOM 0 H1' A A 3 -7.554 -7.745 0.162 1.00 0.00 H new ATOM 0 H8 A A 3 -7.724 -6.483 -3.348 1.00 0.00 H new ATOM 0 H61 A A 3 -1.733 -5.038 -2.811 1.00 0.00 H new ATOM 0 H62 A A 3 -3.109 -5.131 -3.915 1.00 0.00 H new ATOM 0 H2 A A 3 -3.191 -6.333 1.198 1.00 0.00 H new ATOM 97 P G A 4 -9.717 -2.704 0.561 1.00 0.00 P ATOM 98 OP1 G A 4 -10.864 -2.145 1.304 1.00 0.00 O ATOM 99 OP2 G A 4 -9.280 -2.061 -0.691 1.00 0.00 O ATOM 100 O5' G A 4 -8.441 -2.837 1.511 1.00 0.00 O ATOM 101 C5' G A 4 -8.529 -3.027 2.905 1.00 0.00 C ATOM 102 C4' G A 4 -7.184 -3.438 3.536 1.00 0.00 C ATOM 103 O4' G A 4 -6.383 -4.204 2.642 1.00 0.00 O ATOM 104 C3' G A 4 -6.316 -2.277 4.054 1.00 0.00 C ATOM 105 O3' G A 4 -6.581 -2.031 5.433 1.00 0.00 O ATOM 106 C2' G A 4 -4.918 -2.876 3.896 1.00 0.00 C ATOM 107 O2' G A 4 -4.660 -3.705 5.019 1.00 0.00 O ATOM 108 C1' G A 4 -5.034 -3.749 2.661 1.00 0.00 C ATOM 109 N9 G A 4 -4.668 -3.012 1.429 1.00 0.00 N ATOM 110 C8 G A 4 -5.471 -2.568 0.416 1.00 0.00 C ATOM 111 N7 G A 4 -4.837 -2.074 -0.614 1.00 0.00 N ATOM 112 C5 G A 4 -3.498 -2.176 -0.245 1.00 0.00 C ATOM 113 C6 G A 4 -2.313 -1.819 -0.966 1.00 0.00 C ATOM 114 O6 G A 4 -2.212 -1.376 -2.117 1.00 0.00 O ATOM 115 N1 G A 4 -1.159 -2.026 -0.217 1.00 0.00 N ATOM 116 C2 G A 4 -1.145 -2.555 1.056 1.00 0.00 C ATOM 117 N2 G A 4 0.008 -2.619 1.706 1.00 0.00 N ATOM 118 N3 G A 4 -2.243 -2.926 1.729 1.00 0.00 N ATOM 119 C4 G A 4 -3.391 -2.713 1.022 1.00 0.00 C ATOM 0 H5' G A 4 -9.274 -3.794 3.117 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.878 -2.106 3.372 1.00 0.00 H new ATOM 0 H4' G A 4 -7.496 -4.031 4.396 1.00 0.00 H new ATOM 0 H3' G A 4 -6.476 -1.329 3.540 1.00 0.00 H new ATOM 0 H2' G A 4 -4.129 -2.128 3.818 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.316 -3.516 5.722 1.00 0.00 H new ATOM 0 H1' G A 4 -4.339 -4.588 2.695 1.00 0.00 H new ATOM 0 H8 G A 4 -6.549 -2.622 0.463 1.00 0.00 H new ATOM 0 H1 G A 4 -0.265 -1.770 -0.637 1.00 0.00 H new ATOM 0 H21 G A 4 0.041 -3.007 2.649 1.00 0.00 H new ATOM 0 H22 G A 4 0.862 -2.281 1.263 1.00 0.00 H new ATOM 131 P U A 5 -6.069 -0.737 6.225 1.00 0.00 P ATOM 132 OP1 U A 5 -6.509 -0.919 7.624 1.00 0.00 O ATOM 133 OP2 U A 5 -6.518 0.473 5.513 1.00 0.00 O ATOM 134 O5' U A 5 -4.488 -0.726 6.185 1.00 0.00 O ATOM 135 C5' U A 5 -3.700 -1.441 7.116 1.00 0.00 C ATOM 136 C4' U A 5 -2.214 -1.275 6.785 1.00 0.00 C ATOM 137 O4' U A 5 -1.903 -1.701 5.461 1.00 0.00 O ATOM 138 C3' U A 5 -1.711 0.168 6.882 1.00 0.00 C ATOM 139 O3' U A 5 -1.361 0.547 8.207 1.00 0.00 O ATOM 140 C2' U A 5 -0.441 0.051 6.044 1.00 0.00 C ATOM 141 O2' U A 5 0.532 -0.563 6.877 1.00 0.00 O ATOM 142 C1' U A 5 -0.864 -0.881 4.917 1.00 0.00 C ATOM 143 N1 U A 5 -1.301 -0.125 3.705 1.00 0.00 N ATOM 144 C2 U A 5 -0.318 0.266 2.785 1.00 0.00 C ATOM 145 O2 U A 5 0.894 0.181 3.013 1.00 0.00 O ATOM 146 N3 U A 5 -0.771 0.797 1.585 1.00 0.00 N ATOM 147 C4 U A 5 -2.087 1.090 1.274 1.00 0.00 C ATOM 148 O4 U A 5 -2.384 1.557 0.178 1.00 0.00 O ATOM 149 C5 U A 5 -3.024 0.790 2.334 1.00 0.00 C ATOM 150 C6 U A 5 -2.625 0.180 3.479 1.00 0.00 C ATOM 0 H5' U A 5 -3.969 -2.497 7.097 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.898 -1.080 8.125 1.00 0.00 H new ATOM 0 H4' U A 5 -1.724 -1.894 7.536 1.00 0.00 H new ATOM 0 H3' U A 5 -2.448 0.907 6.568 1.00 0.00 H new ATOM 0 H2' U A 5 -0.030 0.986 5.662 1.00 0.00 H new ATOM 0 HO2' U A 5 0.318 -0.384 7.816 1.00 0.00 H new ATOM 0 H1' U A 5 -0.032 -1.494 4.570 1.00 0.00 H new ATOM 0 H3 U A 5 -0.071 0.988 0.868 1.00 0.00 H new ATOM 0 H5 U A 5 -4.063 1.057 2.212 1.00 0.00 H new ATOM 0 H6 U A 5 -3.361 -0.071 4.228 1.00 0.00 H new ATOM 161 P G A 6 -1.159 2.085 8.587 1.00 0.00 P ATOM 162 OP1 G A 6 -0.584 2.105 9.945 1.00 0.00 O ATOM 163 OP2 G A 6 -2.454 2.763 8.388 1.00 0.00 O ATOM 164 O5' G A 6 -0.085 2.656 7.551 1.00 0.00 O ATOM 165 C5' G A 6 1.301 2.513 7.799 1.00 0.00 C ATOM 166 C4' G A 6 2.163 3.125 6.696 1.00 0.00 C ATOM 167 O4' G A 6 2.006 2.486 5.434 1.00 0.00 O ATOM 168 C3' G A 6 1.831 4.585 6.430 1.00 0.00 C ATOM 169 O3' G A 6 2.342 5.453 7.421 1.00 0.00 O ATOM 170 C2' G A 6 2.556 4.758 5.096 1.00 0.00 C ATOM 171 O2' G A 6 3.952 4.918 5.283 1.00 0.00 O ATOM 172 C1' G A 6 2.289 3.436 4.404 1.00 0.00 C ATOM 173 N9 G A 6 1.175 3.619 3.448 1.00 0.00 N ATOM 174 C8 G A 6 -0.170 3.443 3.629 1.00 0.00 C ATOM 175 N7 G A 6 -0.900 3.787 2.606 1.00 0.00 N ATOM 176 C5 G A 6 0.031 4.219 1.668 1.00 0.00 C ATOM 177 C6 G A 6 -0.157 4.714 0.340 1.00 0.00 C ATOM 178 O6 G A 6 -1.210 4.881 -0.265 1.00 0.00 O ATOM 179 N1 G A 6 1.038 5.041 -0.292 1.00 0.00 N ATOM 180 C2 G A 6 2.271 4.955 0.311 1.00 0.00 C ATOM 181 N2 G A 6 3.333 5.344 -0.383 1.00 0.00 N ATOM 182 N3 G A 6 2.469 4.503 1.562 1.00 0.00 N ATOM 183 C4 G A 6 1.306 4.134 2.179 1.00 0.00 C ATOM 0 H5' G A 6 1.541 1.454 7.897 1.00 0.00 H new ATOM 0 H5'' G A 6 1.546 2.985 8.750 1.00 0.00 H new ATOM 0 H4' G A 6 3.175 3.000 7.081 1.00 0.00 H new ATOM 0 H3' G A 6 0.767 4.820 6.427 1.00 0.00 H new ATOM 0 H2' G A 6 2.220 5.636 4.544 1.00 0.00 H new ATOM 0 HO2' G A 6 4.131 5.166 6.214 1.00 0.00 H new ATOM 0 H1' G A 6 3.137 3.073 3.823 1.00 0.00 H new ATOM 0 H8 G A 6 -0.591 3.052 4.543 1.00 0.00 H new ATOM 0 H1 G A 6 0.998 5.363 -1.259 1.00 0.00 H new ATOM 0 H21 G A 6 4.262 5.293 0.035 1.00 0.00 H new ATOM 0 H22 G A 6 3.220 5.694 -1.334 1.00 0.00 H new ATOM 195 P G A 7 1.975 6.996 7.381 1.00 0.00 P ATOM 196 OP1 G A 7 2.637 7.637 8.535 1.00 0.00 O ATOM 197 OP2 G A 7 0.530 7.176 7.203 1.00 0.00 O ATOM 198 O5' G A 7 2.678 7.487 6.039 1.00 0.00 O ATOM 199 C5' G A 7 3.740 8.387 6.113 1.00 0.00 C ATOM 200 C4' G A 7 4.196 8.895 4.755 1.00 0.00 C ATOM 201 O4' G A 7 4.080 7.887 3.763 1.00 0.00 O ATOM 202 C3' G A 7 3.358 10.085 4.287 1.00 0.00 C ATOM 203 O3' G A 7 3.797 11.381 4.690 1.00 0.00 O ATOM 204 C2' G A 7 3.571 9.993 2.786 1.00 0.00 C ATOM 205 O2' G A 7 4.786 10.666 2.513 1.00 0.00 O ATOM 206 C1' G A 7 3.607 8.478 2.561 1.00 0.00 C ATOM 207 N9 G A 7 2.235 8.042 2.214 1.00 0.00 N ATOM 208 C8 G A 7 1.219 7.631 3.042 1.00 0.00 C ATOM 209 N7 G A 7 0.058 7.568 2.447 1.00 0.00 N ATOM 210 C5 G A 7 0.311 7.959 1.131 1.00 0.00 C ATOM 211 C6 G A 7 -0.578 8.140 0.014 1.00 0.00 C ATOM 212 O6 G A 7 -1.810 8.043 -0.032 1.00 0.00 O ATOM 213 N1 G A 7 0.094 8.519 -1.142 1.00 0.00 N ATOM 214 C2 G A 7 1.444 8.779 -1.209 1.00 0.00 C ATOM 215 N2 G A 7 1.945 9.249 -2.349 1.00 0.00 N ATOM 216 N3 G A 7 2.283 8.646 -0.167 1.00 0.00 N ATOM 217 C4 G A 7 1.657 8.219 0.975 1.00 0.00 C ATOM 0 H5' G A 7 4.580 7.906 6.614 1.00 0.00 H new ATOM 0 H5'' G A 7 3.445 9.236 6.730 1.00 0.00 H new ATOM 0 H4' G A 7 5.237 9.193 4.880 1.00 0.00 H new ATOM 0 H3' G A 7 2.348 10.014 4.692 1.00 0.00 H new ATOM 0 H2' G A 7 2.825 10.448 2.134 1.00 0.00 H new ATOM 0 HO2' G A 7 4.894 11.412 3.139 1.00 0.00 H new ATOM 0 H1' G A 7 4.268 8.180 1.748 1.00 0.00 H new ATOM 0 H8 G A 7 1.366 7.384 4.083 1.00 0.00 H new ATOM 0 H1 G A 7 -0.451 8.611 -2.000 1.00 0.00 H new ATOM 0 H21 G A 7 2.942 9.449 -2.423 1.00 0.00 H new ATOM 0 H22 G A 7 1.332 9.409 -3.148 1.00 0.00 H new ATOM 229 P C A 8 3.716 11.928 6.189 1.00 0.00 P ATOM 230 OP1 C A 8 3.888 13.391 6.096 1.00 0.00 O ATOM 231 OP2 C A 8 4.672 11.171 7.026 1.00 0.00 O ATOM 232 O5' C A 8 2.239 11.596 6.672 1.00 0.00 O ATOM 233 C5' C A 8 1.167 12.434 6.309 1.00 0.00 C ATOM 234 C4' C A 8 -0.220 11.796 6.482 1.00 0.00 C ATOM 235 O4' C A 8 -1.109 12.381 5.539 1.00 0.00 O ATOM 236 C3' C A 8 -0.315 10.273 6.309 1.00 0.00 C ATOM 237 O3' C A 8 -0.196 9.598 7.551 1.00 0.00 O ATOM 238 C2' C A 8 -1.716 10.097 5.737 1.00 0.00 C ATOM 239 O2' C A 8 -2.611 10.069 6.831 1.00 0.00 O ATOM 240 C1' C A 8 -1.916 11.377 4.919 1.00 0.00 C ATOM 241 N1 C A 8 -1.570 11.233 3.469 1.00 0.00 N ATOM 242 C2 C A 8 -2.620 11.180 2.536 1.00 0.00 C ATOM 243 O2 C A 8 -3.809 11.158 2.882 1.00 0.00 O ATOM 244 N3 C A 8 -2.324 11.224 1.205 1.00 0.00 N ATOM 245 C4 C A 8 -1.060 11.362 0.790 1.00 0.00 C ATOM 246 N4 C A 8 -0.839 11.463 -0.511 1.00 0.00 N ATOM 247 C5 C A 8 0.032 11.420 1.708 1.00 0.00 C ATOM 248 C6 C A 8 -0.267 11.335 3.027 1.00 0.00 C ATOM 0 H5' C A 8 1.290 12.731 5.268 1.00 0.00 H new ATOM 0 H5'' C A 8 1.213 13.344 6.908 1.00 0.00 H new ATOM 0 H4' C A 8 -0.473 11.990 7.524 1.00 0.00 H new ATOM 0 H3' C A 8 0.477 9.863 5.682 1.00 0.00 H new ATOM 0 H2' C A 8 -1.867 9.196 5.142 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.131 9.793 7.639 1.00 0.00 H new ATOM 0 HO3' C A 8 -0.284 8.632 7.408 1.00 0.00 H new ATOM 0 H1' C A 8 -2.974 11.639 4.920 1.00 0.00 H new ATOM 0 H41 C A 8 0.114 11.569 -0.860 1.00 0.00 H new ATOM 0 H42 C A 8 -1.621 11.435 -1.165 1.00 0.00 H new ATOM 0 H5 C A 8 1.051 11.527 1.366 1.00 0.00 H new ATOM 0 H6 C A 8 0.535 11.347 3.750 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -8.327 14.270 -6.014 1.00 0.00 O ATOM 263 C5' G B 101 -7.933 13.048 -6.621 1.00 0.00 C ATOM 264 C4' G B 101 -6.670 13.297 -7.458 1.00 0.00 C ATOM 265 O4' G B 101 -5.874 14.292 -6.825 1.00 0.00 O ATOM 266 C3' G B 101 -5.821 12.030 -7.641 1.00 0.00 C ATOM 267 O3' G B 101 -5.868 11.584 -8.985 1.00 0.00 O ATOM 268 C2' G B 101 -4.410 12.469 -7.241 1.00 0.00 C ATOM 269 O2' G B 101 -3.593 12.767 -8.355 1.00 0.00 O ATOM 270 C1' G B 101 -4.611 13.756 -6.461 1.00 0.00 C ATOM 271 N9 G B 101 -4.486 13.528 -5.006 1.00 0.00 N ATOM 272 C8 G B 101 -5.452 13.216 -4.084 1.00 0.00 C ATOM 273 N7 G B 101 -5.050 13.300 -2.847 1.00 0.00 N ATOM 274 C5 G B 101 -3.691 13.584 -2.957 1.00 0.00 C ATOM 275 C6 G B 101 -2.703 13.782 -1.943 1.00 0.00 C ATOM 276 O6 G B 101 -2.854 13.779 -0.724 1.00 0.00 O ATOM 277 N1 G B 101 -1.441 14.021 -2.460 1.00 0.00 N ATOM 278 C2 G B 101 -1.171 14.168 -3.800 1.00 0.00 C ATOM 279 N2 G B 101 0.061 14.501 -4.164 1.00 0.00 N ATOM 280 N3 G B 101 -2.097 14.048 -4.766 1.00 0.00 N ATOM 281 C4 G B 101 -3.335 13.725 -4.280 1.00 0.00 C ATOM 0 H5' G B 101 -8.735 12.664 -7.252 1.00 0.00 H new ATOM 0 H5'' G B 101 -7.738 12.293 -5.859 1.00 0.00 H new ATOM 0 H4' G B 101 -6.998 13.623 -8.445 1.00 0.00 H new ATOM 0 H3' G B 101 -6.175 11.191 -7.042 1.00 0.00 H new ATOM 0 H2' G B 101 -3.917 11.670 -6.686 1.00 0.00 H new ATOM 0 HO2' G B 101 -2.742 12.287 -8.275 1.00 0.00 H new ATOM 0 HO5' G B 101 -7.534 14.816 -5.832 1.00 0.00 H new ATOM 0 H1' G B 101 -3.833 14.478 -6.709 1.00 0.00 H new ATOM 0 H8 G B 101 -6.456 12.927 -4.358 1.00 0.00 H new ATOM 0 H1 G B 101 -0.662 14.093 -1.805 1.00 0.00 H new ATOM 0 H21 G B 101 0.287 14.616 -5.152 1.00 0.00 H new ATOM 0 H22 G B 101 0.782 14.642 -3.456 1.00 0.00 H new ATOM 294 P C B 102 -5.556 10.067 -9.351 1.00 0.00 P ATOM 295 OP1 C B 102 -5.783 9.873 -10.792 1.00 0.00 O ATOM 296 OP2 C B 102 -6.293 9.196 -8.412 1.00 0.00 O ATOM 297 O5' C B 102 -4.000 9.850 -9.053 1.00 0.00 O ATOM 298 C5' C B 102 -2.987 10.042 -10.028 1.00 0.00 C ATOM 299 C4' C B 102 -1.622 10.134 -9.352 1.00 0.00 C ATOM 300 O4' C B 102 -1.720 10.838 -8.113 1.00 0.00 O ATOM 301 C3' C B 102 -1.143 8.734 -9.017 1.00 0.00 C ATOM 302 O3' C B 102 -0.458 8.081 -10.082 1.00 0.00 O ATOM 303 C2' C B 102 -0.248 9.017 -7.829 1.00 0.00 C ATOM 304 O2' C B 102 1.041 9.348 -8.292 1.00 0.00 O ATOM 305 C1' C B 102 -0.895 10.209 -7.138 1.00 0.00 C ATOM 306 N1 C B 102 -1.598 9.763 -5.896 1.00 0.00 N ATOM 307 C2 C B 102 -0.848 9.664 -4.713 1.00 0.00 C ATOM 308 O2 C B 102 0.309 10.094 -4.646 1.00 0.00 O ATOM 309 N3 C B 102 -1.399 9.069 -3.612 1.00 0.00 N ATOM 310 C4 C B 102 -2.646 8.583 -3.661 1.00 0.00 C ATOM 311 N4 C B 102 -3.105 7.907 -2.612 1.00 0.00 N ATOM 312 C5 C B 102 -3.458 8.726 -4.832 1.00 0.00 C ATOM 313 C6 C B 102 -2.888 9.297 -5.922 1.00 0.00 C ATOM 0 H5' C B 102 -3.184 10.952 -10.594 1.00 0.00 H new ATOM 0 H5'' C B 102 -2.995 9.216 -10.740 1.00 0.00 H new ATOM 0 H4' C B 102 -0.942 10.649 -10.030 1.00 0.00 H new ATOM 0 H3' C B 102 -1.955 8.034 -8.820 1.00 0.00 H new ATOM 0 H2' C B 102 -0.144 8.167 -7.155 1.00 0.00 H new ATOM 0 HO2' C B 102 1.681 8.670 -7.990 1.00 0.00 H new ATOM 0 H1' C B 102 -0.175 10.946 -6.783 1.00 0.00 H new ATOM 0 H41 C B 102 -4.051 7.527 -2.625 1.00 0.00 H new ATOM 0 H42 C B 102 -2.511 7.769 -1.795 1.00 0.00 H new ATOM 0 H5 C B 102 -4.485 8.392 -4.846 1.00 0.00 H new ATOM 0 H6 C B 102 -3.463 9.387 -6.832 1.00 0.00 H new ATOM 325 P C B 103 -0.174 6.498 -10.063 1.00 0.00 P ATOM 326 OP1 C B 103 0.204 6.082 -11.433 1.00 0.00 O ATOM 327 OP2 C B 103 -1.270 5.791 -9.361 1.00 0.00 O ATOM 328 O5' C B 103 1.102 6.373 -9.123 1.00 0.00 O ATOM 329 C5' C B 103 2.421 6.550 -9.597 1.00 0.00 C ATOM 330 C4' C B 103 3.436 6.388 -8.455 1.00 0.00 C ATOM 331 O4' C B 103 3.218 7.291 -7.363 1.00 0.00 O ATOM 332 C3' C B 103 3.463 4.987 -7.834 1.00 0.00 C ATOM 333 O3' C B 103 4.189 4.041 -8.600 1.00 0.00 O ATOM 334 C2' C B 103 4.188 5.318 -6.535 1.00 0.00 C ATOM 335 O2' C B 103 5.559 5.499 -6.845 1.00 0.00 O ATOM 336 C1' C B 103 3.524 6.631 -6.124 1.00 0.00 C ATOM 337 N1 C B 103 2.316 6.371 -5.275 1.00 0.00 N ATOM 338 C2 C B 103 2.483 6.080 -3.906 1.00 0.00 C ATOM 339 O2 C B 103 3.603 6.031 -3.383 1.00 0.00 O ATOM 340 N3 C B 103 1.390 5.838 -3.120 1.00 0.00 N ATOM 341 C4 C B 103 0.160 5.894 -3.652 1.00 0.00 C ATOM 342 N4 C B 103 -0.907 5.656 -2.905 1.00 0.00 N ATOM 343 C5 C B 103 -0.036 6.207 -5.025 1.00 0.00 C ATOM 344 C6 C B 103 1.047 6.418 -5.802 1.00 0.00 C ATOM 0 H5' C B 103 2.523 7.540 -10.043 1.00 0.00 H new ATOM 0 H5'' C B 103 2.631 5.824 -10.382 1.00 0.00 H new ATOM 0 H4' C B 103 4.380 6.600 -8.958 1.00 0.00 H new ATOM 0 H3' C B 103 2.483 4.519 -7.740 1.00 0.00 H new ATOM 0 H2' C B 103 4.132 4.564 -5.750 1.00 0.00 H new ATOM 0 HO2' C B 103 5.758 5.077 -7.707 1.00 0.00 H new ATOM 0 H1' C B 103 4.164 7.259 -5.505 1.00 0.00 H new ATOM 0 H41 C B 103 -1.839 5.701 -3.318 1.00 0.00 H new ATOM 0 H42 C B 103 -0.797 5.428 -1.917 1.00 0.00 H new ATOM 0 H5 C B 103 -1.032 6.275 -5.438 1.00 0.00 H new ATOM 0 H6 C B 103 0.915 6.627 -6.853 1.00 0.00 H new ATOM 356 P A B 104 4.049 2.466 -8.346 1.00 0.00 P ATOM 357 OP1 A B 104 4.801 1.774 -9.405 1.00 0.00 O ATOM 358 OP2 A B 104 2.622 2.124 -8.140 1.00 0.00 O ATOM 359 O5' A B 104 4.764 2.197 -6.954 1.00 0.00 O ATOM 360 C5' A B 104 6.165 2.196 -6.792 1.00 0.00 C ATOM 361 C4' A B 104 6.478 2.146 -5.290 1.00 0.00 C ATOM 362 O4' A B 104 5.735 3.127 -4.557 1.00 0.00 O ATOM 363 C3' A B 104 6.177 0.789 -4.644 1.00 0.00 C ATOM 364 O3' A B 104 7.278 -0.107 -4.735 1.00 0.00 O ATOM 365 C2' A B 104 5.971 1.228 -3.201 1.00 0.00 C ATOM 366 O2' A B 104 7.242 1.429 -2.607 1.00 0.00 O ATOM 367 C1' A B 104 5.225 2.545 -3.356 1.00 0.00 C ATOM 368 N9 A B 104 3.746 2.350 -3.397 1.00 0.00 N ATOM 369 C8 A B 104 2.880 2.466 -4.456 1.00 0.00 C ATOM 370 N7 A B 104 1.615 2.326 -4.159 1.00 0.00 N ATOM 371 C5 A B 104 1.643 2.104 -2.789 1.00 0.00 C ATOM 372 C6 A B 104 0.625 1.919 -1.824 1.00 0.00 C ATOM 373 N6 A B 104 -0.669 1.962 -2.123 1.00 0.00 N ATOM 374 N1 A B 104 0.972 1.734 -0.547 1.00 0.00 N ATOM 375 C2 A B 104 2.260 1.735 -0.228 1.00 0.00 C ATOM 376 N3 A B 104 3.319 1.905 -1.017 1.00 0.00 N ATOM 377 C4 A B 104 2.936 2.090 -2.311 1.00 0.00 C ATOM 0 H5' A B 104 6.599 3.089 -7.241 1.00 0.00 H new ATOM 0 H5'' A B 104 6.605 1.338 -7.300 1.00 0.00 H new ATOM 0 H4' A B 104 7.549 2.342 -5.237 1.00 0.00 H new ATOM 0 H3' A B 104 5.348 0.249 -5.103 1.00 0.00 H new ATOM 0 H2' A B 104 5.434 0.515 -2.576 1.00 0.00 H new ATOM 0 HO2' A B 104 7.930 0.994 -3.152 1.00 0.00 H new ATOM 0 H1' A B 104 5.385 3.202 -2.501 1.00 0.00 H new ATOM 0 H8 A B 104 3.220 2.659 -5.463 1.00 0.00 H new ATOM 0 H61 A B 104 -1.366 1.822 -1.392 1.00 0.00 H new ATOM 0 H62 A B 104 -0.965 2.135 -3.084 1.00 0.00 H new ATOM 0 H2 A B 104 2.480 1.576 0.817 1.00 0.00 H new ATOM 389 P DC B 105 7.083 -1.685 -4.905 1.00 0.00 P ATOM 390 OP1 DC B 105 8.346 -2.219 -5.456 1.00 0.00 O ATOM 391 OP2 DC B 105 5.827 -1.935 -5.643 1.00 0.00 O ATOM 392 O5' DC B 105 6.868 -2.281 -3.447 1.00 0.00 O ATOM 393 C5' DC B 105 7.858 -2.239 -2.442 1.00 0.00 C ATOM 394 C4' DC B 105 7.217 -2.145 -1.051 1.00 0.00 C ATOM 395 O4' DC B 105 6.281 -1.068 -1.026 1.00 0.00 O ATOM 396 C3' DC B 105 6.479 -3.399 -0.578 1.00 0.00 C ATOM 397 O3' DC B 105 7.311 -4.274 0.172 1.00 0.00 O ATOM 398 C2' DC B 105 5.447 -2.752 0.342 1.00 0.00 C ATOM 399 C1' DC B 105 5.099 -1.425 -0.313 1.00 0.00 C ATOM 400 N1 DC B 105 3.861 -1.525 -1.154 1.00 0.00 N ATOM 401 C2 DC B 105 2.618 -1.562 -0.512 1.00 0.00 C ATOM 402 O2 DC B 105 2.524 -1.581 0.721 1.00 0.00 O ATOM 403 N3 DC B 105 1.477 -1.570 -1.261 1.00 0.00 N ATOM 404 C4 DC B 105 1.532 -1.563 -2.598 1.00 0.00 C ATOM 405 N4 DC B 105 0.400 -1.541 -3.282 1.00 0.00 N ATOM 406 C5 DC B 105 2.782 -1.549 -3.287 1.00 0.00 C ATOM 407 C6 DC B 105 3.903 -1.527 -2.526 1.00 0.00 C ATOM 0 H5' DC B 105 8.512 -1.382 -2.605 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.481 -3.132 -2.501 1.00 0.00 H new ATOM 0 H4' DC B 105 8.058 -1.998 -0.374 1.00 0.00 H new ATOM 0 H3' DC B 105 6.093 -4.018 -1.388 1.00 0.00 H new ATOM 0 H2' DC B 105 4.564 -3.382 0.447 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.852 -2.602 1.343 1.00 0.00 H new ATOM 0 H1' DC B 105 4.836 -0.644 0.401 1.00 0.00 H new ATOM 0 H41 DC B 105 0.420 -1.535 -4.302 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.493 -1.530 -2.790 1.00 0.00 H new ATOM 0 H5 DC B 105 2.832 -1.556 -4.366 1.00 0.00 H new ATOM 0 H6 DC B 105 4.865 -1.510 -3.017 1.00 0.00 H new ATOM 419 P DT B 106 6.893 -5.790 0.478 1.00 0.00 P ATOM 420 OP1 DT B 106 7.846 -6.392 1.429 1.00 0.00 O ATOM 421 OP2 DT B 106 6.636 -6.495 -0.799 1.00 0.00 O ATOM 422 O5' DT B 106 5.514 -5.695 1.261 1.00 0.00 O ATOM 423 C5' DT B 106 5.472 -5.238 2.603 1.00 0.00 C ATOM 424 C4' DT B 106 4.071 -5.332 3.189 1.00 0.00 C ATOM 425 O4' DT B 106 3.144 -4.522 2.487 1.00 0.00 O ATOM 426 C3' DT B 106 3.571 -6.766 3.123 1.00 0.00 C ATOM 427 O3' DT B 106 4.022 -7.515 4.236 1.00 0.00 O ATOM 428 C2' DT B 106 2.076 -6.537 3.097 1.00 0.00 C ATOM 429 C1' DT B 106 1.913 -5.221 2.362 1.00 0.00 C ATOM 430 N1 DT B 106 1.541 -5.458 0.947 1.00 0.00 N ATOM 431 C2 DT B 106 0.213 -5.781 0.679 1.00 0.00 C ATOM 432 O2 DT B 106 -0.619 -5.978 1.564 1.00 0.00 O ATOM 433 N3 DT B 106 -0.127 -5.875 -0.653 1.00 0.00 N ATOM 434 C4 DT B 106 0.716 -5.699 -1.730 1.00 0.00 C ATOM 435 O4 DT B 106 0.267 -5.817 -2.870 1.00 0.00 O ATOM 436 C5 DT B 106 2.098 -5.418 -1.370 1.00 0.00 C ATOM 437 C7 DT B 106 3.140 -5.219 -2.452 1.00 0.00 C ATOM 438 C6 DT B 106 2.457 -5.328 -0.066 1.00 0.00 C ATOM 0 H5' DT B 106 5.815 -4.204 2.646 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.160 -5.827 3.209 1.00 0.00 H new ATOM 0 H4' DT B 106 4.141 -4.986 4.220 1.00 0.00 H new ATOM 0 H3' DT B 106 3.926 -7.355 2.277 1.00 0.00 H new ATOM 0 H2' DT B 106 1.558 -7.347 2.583 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.664 -6.484 4.105 1.00 0.00 H new ATOM 0 H1' DT B 106 1.107 -4.623 2.788 1.00 0.00 H new ATOM 0 H3 DT B 106 -1.100 -6.097 -0.864 1.00 0.00 H new ATOM 0 H71 DT B 106 3.911 -4.537 -2.094 1.00 0.00 H new ATOM 0 H72 DT B 106 3.592 -6.179 -2.702 1.00 0.00 H new ATOM 0 H73 DT B 106 2.667 -4.798 -3.339 1.00 0.00 H new ATOM 0 H6 DT B 106 3.493 -5.149 0.182 1.00 0.00 H new ATOM 451 P DG B 107 3.787 -9.091 4.324 1.00 0.00 P ATOM 452 OP1 DG B 107 4.678 -9.599 5.383 1.00 0.00 O ATOM 453 OP2 DG B 107 3.906 -9.653 2.961 1.00 0.00 O ATOM 454 O5' DG B 107 2.276 -9.230 4.794 1.00 0.00 O ATOM 455 C5' DG B 107 1.812 -8.547 5.949 1.00 0.00 C ATOM 456 C4' DG B 107 0.282 -8.533 6.033 1.00 0.00 C ATOM 457 O4' DG B 107 -0.301 -8.153 4.782 1.00 0.00 O ATOM 458 C3' DG B 107 -0.277 -9.904 6.383 1.00 0.00 C ATOM 459 O3' DG B 107 -1.454 -9.730 7.143 1.00 0.00 O ATOM 460 C2' DG B 107 -0.629 -10.455 5.011 1.00 0.00 C ATOM 461 C1' DG B 107 -1.117 -9.212 4.277 1.00 0.00 C ATOM 462 N9 DG B 107 -0.983 -9.375 2.805 1.00 0.00 N ATOM 463 C8 DG B 107 0.185 -9.507 2.104 1.00 0.00 C ATOM 464 N7 DG B 107 0.052 -9.519 0.808 1.00 0.00 N ATOM 465 C5 DG B 107 -1.326 -9.443 0.629 1.00 0.00 C ATOM 466 C6 DG B 107 -2.084 -9.429 -0.587 1.00 0.00 C ATOM 467 O6 DG B 107 -1.678 -9.351 -1.752 1.00 0.00 O ATOM 468 N1 DG B 107 -3.447 -9.551 -0.364 1.00 0.00 N ATOM 469 C2 DG B 107 -4.026 -9.590 0.882 1.00 0.00 C ATOM 470 N2 DG B 107 -5.339 -9.784 0.926 1.00 0.00 N ATOM 471 N3 DG B 107 -3.339 -9.534 2.042 1.00 0.00 N ATOM 472 C4 DG B 107 -1.979 -9.452 1.847 1.00 0.00 C ATOM 0 H5' DG B 107 2.184 -7.522 5.938 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.219 -9.024 6.840 1.00 0.00 H new ATOM 0 H4' DG B 107 0.032 -7.813 6.813 1.00 0.00 H new ATOM 0 H3' DG B 107 0.396 -10.542 6.956 1.00 0.00 H new ATOM 0 H2' DG B 107 0.234 -10.905 4.520 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.400 -11.223 5.067 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.176 -9.013 4.444 1.00 0.00 H new ATOM 0 H8 DG B 107 1.146 -9.595 2.589 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.060 -9.616 -1.177 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.819 -9.821 1.825 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.867 -9.896 0.061 1.00 0.00 H new ATOM 484 P DC B 108 -1.520 -9.966 8.726 1.00 0.00 P ATOM 485 OP1 DC B 108 -1.990 -8.717 9.352 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.280 -10.603 9.218 1.00 0.00 O ATOM 487 O5' DC B 108 -2.694 -11.052 8.829 1.00 0.00 O ATOM 488 C5' DC B 108 -2.883 -11.987 7.779 1.00 0.00 C ATOM 489 C4' DC B 108 -4.149 -12.832 7.941 1.00 0.00 C ATOM 490 O4' DC B 108 -4.750 -12.986 6.659 1.00 0.00 O ATOM 491 C3' DC B 108 -3.866 -14.248 8.440 1.00 0.00 C ATOM 492 O3' DC B 108 -5.024 -14.803 9.044 1.00 0.00 O ATOM 493 C2' DC B 108 -3.549 -14.968 7.131 1.00 0.00 C ATOM 494 C1' DC B 108 -4.532 -14.303 6.157 1.00 0.00 C ATOM 495 N1 DC B 108 -4.047 -14.266 4.745 1.00 0.00 N ATOM 496 C2 DC B 108 -4.686 -15.033 3.765 1.00 0.00 C ATOM 497 O2 DC B 108 -5.658 -15.752 4.035 1.00 0.00 O ATOM 498 N3 DC B 108 -4.174 -15.043 2.496 1.00 0.00 N ATOM 499 C4 DC B 108 -3.096 -14.310 2.179 1.00 0.00 C ATOM 500 N4 DC B 108 -2.629 -14.425 0.947 1.00 0.00 N ATOM 501 C5 DC B 108 -2.453 -13.471 3.143 1.00 0.00 C ATOM 502 C6 DC B 108 -2.966 -13.487 4.397 1.00 0.00 C ATOM 0 H5' DC B 108 -2.017 -12.648 7.730 1.00 0.00 H new ATOM 0 H5'' DC B 108 -2.930 -11.453 6.830 1.00 0.00 H new ATOM 0 H4' DC B 108 -4.779 -12.317 8.666 1.00 0.00 H new ATOM 0 H3' DC B 108 -3.079 -14.312 9.192 1.00 0.00 H new ATOM 0 H2' DC B 108 -2.512 -14.824 6.827 1.00 0.00 H new ATOM 0 H2'' DC B 108 -3.713 -16.043 7.206 1.00 0.00 H new ATOM 0 HO3' DC B 108 -4.827 -15.711 9.357 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.452 -14.886 6.111 1.00 0.00 H new ATOM 0 H41 DC B 108 -1.811 -13.888 0.659 1.00 0.00 H new ATOM 0 H42 DC B 108 -3.087 -15.051 0.285 1.00 0.00 H new ATOM 0 H5 DC B 108 -1.603 -12.857 2.885 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.510 -12.865 5.153 1.00 0.00 H new TER 515 DC B 108