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= 0.463 USER MOD Single : A 1 G O5' : rot 20:sc= 1.43 USER MOD Single : A 2 C O2' : rot -18:sc= 0.391 USER MOD Single : A 3 A O2' : rot -19:sc= 0.306 USER MOD Single : A 4 G O2' : rot -30:sc= 0.0766 USER MOD Single : A 5 U O2' : rot -19:sc= 0.0902 USER MOD Single : A 6 G O2' : rot -13:sc= 0.482 USER MOD Single : A 7 G O2' : rot -17:sc= 0.356 USER MOD Single : A 8 C O2' : rot -32:sc= 0.34 USER MOD Single : A 8 C O3' : rot 180:sc= 0.302 USER MOD Single : B 101 G O2' : rot -22:sc= 0.371 USER MOD Single : B 101 G O5' : rot -3:sc= 0.719 USER MOD Single : B 102 C O2' : rot -17:sc= 0.258 USER MOD Single : B 103 C O2' : rot -18:sc= 0.184 USER MOD Single : B 104 A O2' : rot -18:sc= 0.485 USER MOD Single : B 106 DT C7 :methyl 150:sc=-0.00448 (180deg=-0.00448) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.872 -11.743 -8.945 1.00 0.00 O ATOM 2 C5' G A 1 -5.700 -12.352 -9.923 1.00 0.00 C ATOM 3 C4' G A 1 -7.124 -12.634 -9.409 1.00 0.00 C ATOM 4 O4' G A 1 -7.168 -13.721 -8.486 1.00 0.00 O ATOM 5 C3' G A 1 -7.790 -11.403 -8.780 1.00 0.00 C ATOM 6 O3' G A 1 -8.748 -10.850 -9.675 1.00 0.00 O ATOM 7 C2' G A 1 -8.512 -12.037 -7.586 1.00 0.00 C ATOM 8 O2' G A 1 -9.797 -12.443 -8.023 1.00 0.00 O ATOM 9 C1' G A 1 -7.706 -13.284 -7.245 1.00 0.00 C ATOM 10 N9 G A 1 -6.659 -13.037 -6.227 1.00 0.00 N ATOM 11 C8 G A 1 -5.296 -13.123 -6.339 1.00 0.00 C ATOM 12 N7 G A 1 -4.649 -12.788 -5.256 1.00 0.00 N ATOM 13 C5 G A 1 -5.655 -12.540 -4.332 1.00 0.00 C ATOM 14 C6 G A 1 -5.565 -12.210 -2.945 1.00 0.00 C ATOM 15 O6 G A 1 -4.538 -12.016 -2.291 1.00 0.00 O ATOM 16 N1 G A 1 -6.808 -12.191 -2.317 1.00 0.00 N ATOM 17 C2 G A 1 -8.003 -12.418 -2.970 1.00 0.00 C ATOM 18 N2 G A 1 -9.150 -12.452 -2.309 1.00 0.00 N ATOM 19 N3 G A 1 -8.092 -12.716 -4.270 1.00 0.00 N ATOM 20 C4 G A 1 -6.887 -12.755 -4.901 1.00 0.00 C ATOM 0 H5' G A 1 -5.244 -13.288 -10.247 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.756 -11.705 -10.798 1.00 0.00 H new ATOM 0 H4' G A 1 -7.690 -12.909 -10.299 1.00 0.00 H new ATOM 0 H3' G A 1 -7.099 -10.599 -8.527 1.00 0.00 H new ATOM 0 H2' G A 1 -8.603 -11.358 -6.738 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.002 -12.013 -8.879 1.00 0.00 H new ATOM 0 HO5' G A 1 -5.243 -11.909 -8.053 1.00 0.00 H new ATOM 0 H1' G A 1 -8.333 -14.047 -6.784 1.00 0.00 H new ATOM 0 H8 G A 1 -4.800 -13.440 -7.245 1.00 0.00 H new ATOM 0 H1 G A 1 -6.837 -11.998 -1.316 1.00 0.00 H new ATOM 0 H21 G A 1 -10.022 -12.621 -2.810 1.00 0.00 H new ATOM 0 H22 G A 1 -9.161 -12.309 -1.299 1.00 0.00 H new ATOM 33 P C A 2 -9.316 -9.370 -9.494 1.00 0.00 P ATOM 34 OP1 C A 2 -10.621 -9.356 -10.189 1.00 0.00 O ATOM 35 OP2 C A 2 -8.247 -8.467 -9.964 1.00 0.00 O ATOM 36 O5' C A 2 -9.539 -9.140 -7.933 1.00 0.00 O ATOM 37 C5' C A 2 -10.816 -9.257 -7.332 1.00 0.00 C ATOM 38 C4' C A 2 -10.753 -9.049 -5.813 1.00 0.00 C ATOM 39 O4' C A 2 -9.881 -9.980 -5.152 1.00 0.00 O ATOM 40 C3' C A 2 -10.300 -7.645 -5.405 1.00 0.00 C ATOM 41 O3' C A 2 -11.343 -6.688 -5.282 1.00 0.00 O ATOM 42 C2' C A 2 -9.822 -7.955 -4.001 1.00 0.00 C ATOM 43 O2' C A 2 -10.970 -8.009 -3.175 1.00 0.00 O ATOM 44 C1' C A 2 -9.211 -9.334 -4.058 1.00 0.00 C ATOM 45 N1 C A 2 -7.733 -9.201 -4.205 1.00 0.00 N ATOM 46 C2 C A 2 -6.949 -9.056 -3.047 1.00 0.00 C ATOM 47 O2 C A 2 -7.414 -9.211 -1.910 1.00 0.00 O ATOM 48 N3 C A 2 -5.622 -8.760 -3.170 1.00 0.00 N ATOM 49 C4 C A 2 -5.081 -8.583 -4.385 1.00 0.00 C ATOM 50 N4 C A 2 -3.802 -8.245 -4.472 1.00 0.00 N ATOM 51 C5 C A 2 -5.842 -8.788 -5.581 1.00 0.00 C ATOM 52 C6 C A 2 -7.154 -9.088 -5.443 1.00 0.00 C ATOM 0 H5' C A 2 -11.230 -10.242 -7.547 1.00 0.00 H new ATOM 0 H5'' C A 2 -11.493 -8.524 -7.771 1.00 0.00 H new ATOM 0 H4' C A 2 -11.784 -9.209 -5.498 1.00 0.00 H new ATOM 0 H3' C A 2 -9.609 -7.211 -6.127 1.00 0.00 H new ATOM 0 H2' C A 2 -9.111 -7.219 -3.626 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.718 -7.564 -3.625 1.00 0.00 H new ATOM 0 H1' C A 2 -9.342 -9.938 -3.160 1.00 0.00 H new ATOM 0 H41 C A 2 -3.372 -8.106 -5.387 1.00 0.00 H new ATOM 0 H42 C A 2 -3.248 -8.124 -3.624 1.00 0.00 H new ATOM 0 H5 C A 2 -5.386 -8.706 -6.556 1.00 0.00 H new ATOM 0 H6 C A 2 -7.757 -9.242 -6.325 1.00 0.00 H new ATOM 64 P A A 3 -11.011 -5.131 -5.101 1.00 0.00 P ATOM 65 OP1 A A 3 -12.319 -4.465 -4.897 1.00 0.00 O ATOM 66 OP2 A A 3 -10.160 -4.731 -6.234 1.00 0.00 O ATOM 67 O5' A A 3 -10.182 -5.023 -3.728 1.00 0.00 O ATOM 68 C5' A A 3 -10.853 -4.925 -2.477 1.00 0.00 C ATOM 69 C4' A A 3 -9.990 -5.343 -1.275 1.00 0.00 C ATOM 70 O4' A A 3 -9.056 -6.366 -1.585 1.00 0.00 O ATOM 71 C3' A A 3 -9.194 -4.231 -0.590 1.00 0.00 C ATOM 72 O3' A A 3 -9.979 -3.561 0.376 1.00 0.00 O ATOM 73 C2' A A 3 -8.134 -5.054 0.138 1.00 0.00 C ATOM 74 O2' A A 3 -8.706 -5.591 1.320 1.00 0.00 O ATOM 75 C1' A A 3 -7.857 -6.167 -0.859 1.00 0.00 C ATOM 76 N9 A A 3 -6.718 -5.793 -1.715 1.00 0.00 N ATOM 77 C8 A A 3 -6.700 -5.383 -3.023 1.00 0.00 C ATOM 78 N7 A A 3 -5.507 -5.075 -3.467 1.00 0.00 N ATOM 79 C5 A A 3 -4.683 -5.336 -2.372 1.00 0.00 C ATOM 80 C6 A A 3 -3.290 -5.253 -2.168 1.00 0.00 C ATOM 81 N6 A A 3 -2.462 -4.844 -3.121 1.00 0.00 N ATOM 82 N1 A A 3 -2.769 -5.631 -0.987 1.00 0.00 N ATOM 83 C2 A A 3 -3.601 -6.057 -0.035 1.00 0.00 C ATOM 84 N3 A A 3 -4.927 -6.181 -0.086 1.00 0.00 N ATOM 85 C4 A A 3 -5.409 -5.794 -1.304 1.00 0.00 C ATOM 0 H5' A A 3 -11.747 -5.548 -2.505 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.186 -3.897 -2.333 1.00 0.00 H new ATOM 0 H4' A A 3 -10.760 -5.690 -0.586 1.00 0.00 H new ATOM 0 H3' A A 3 -8.827 -3.468 -1.276 1.00 0.00 H new ATOM 0 H2' A A 3 -7.243 -4.497 0.430 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.510 -5.083 1.554 1.00 0.00 H new ATOM 0 H1' A A 3 -7.574 -7.102 -0.375 1.00 0.00 H new ATOM 0 H8 A A 3 -7.589 -5.320 -3.632 1.00 0.00 H new ATOM 0 H61 A A 3 -1.459 -4.796 -2.939 1.00 0.00 H new ATOM 0 H62 A A 3 -2.828 -4.578 -4.035 1.00 0.00 H new ATOM 0 H2 A A 3 -3.139 -6.338 0.900 1.00 0.00 H new ATOM 97 P G A 4 -9.497 -2.195 1.026 1.00 0.00 P ATOM 98 OP1 G A 4 -10.577 -1.848 1.977 1.00 0.00 O ATOM 99 OP2 G A 4 -9.148 -1.276 -0.068 1.00 0.00 O ATOM 100 O5' G A 4 -8.187 -2.589 1.840 1.00 0.00 O ATOM 101 C5' G A 4 -8.244 -2.948 3.201 1.00 0.00 C ATOM 102 C4' G A 4 -6.899 -3.418 3.758 1.00 0.00 C ATOM 103 O4' G A 4 -6.114 -4.119 2.800 1.00 0.00 O ATOM 104 C3' G A 4 -6.047 -2.263 4.291 1.00 0.00 C ATOM 105 O3' G A 4 -6.383 -1.933 5.629 1.00 0.00 O ATOM 106 C2' G A 4 -4.663 -2.890 4.204 1.00 0.00 C ATOM 107 O2' G A 4 -4.443 -3.834 5.247 1.00 0.00 O ATOM 108 C1' G A 4 -4.770 -3.655 2.892 1.00 0.00 C ATOM 109 N9 G A 4 -4.380 -2.822 1.737 1.00 0.00 N ATOM 110 C8 G A 4 -5.165 -2.266 0.765 1.00 0.00 C ATOM 111 N7 G A 4 -4.493 -1.733 -0.221 1.00 0.00 N ATOM 112 C5 G A 4 -3.159 -1.943 0.128 1.00 0.00 C ATOM 113 C6 G A 4 -1.943 -1.635 -0.570 1.00 0.00 C ATOM 114 O6 G A 4 -1.797 -1.186 -1.710 1.00 0.00 O ATOM 115 N1 G A 4 -0.810 -1.907 0.188 1.00 0.00 N ATOM 116 C2 G A 4 -0.834 -2.456 1.450 1.00 0.00 C ATOM 117 N2 G A 4 0.305 -2.572 2.123 1.00 0.00 N ATOM 118 N3 G A 4 -1.956 -2.844 2.073 1.00 0.00 N ATOM 119 C4 G A 4 -3.086 -2.546 1.365 1.00 0.00 C ATOM 0 H5' G A 4 -8.980 -3.741 3.330 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.591 -2.093 3.781 1.00 0.00 H new ATOM 0 H4' G A 4 -7.169 -4.090 4.572 1.00 0.00 H new ATOM 0 H3' G A 4 -6.164 -1.324 3.750 1.00 0.00 H new ATOM 0 H2' G A 4 -3.860 -2.157 4.274 1.00 0.00 H new ATOM 0 HO2' G A 4 -4.961 -3.575 6.037 1.00 0.00 H new ATOM 0 H1' G A 4 -4.078 -4.497 2.875 1.00 0.00 H new ATOM 0 H8 G A 4 -6.244 -2.267 0.808 1.00 0.00 H new ATOM 0 H1 G A 4 0.099 -1.685 -0.218 1.00 0.00 H new ATOM 0 H21 G A 4 0.305 -2.977 3.059 1.00 0.00 H new ATOM 0 H22 G A 4 1.180 -2.257 1.703 1.00 0.00 H new ATOM 131 P U A 5 -5.907 -0.567 6.299 1.00 0.00 P ATOM 132 OP1 U A 5 -6.418 -0.613 7.685 1.00 0.00 O ATOM 133 OP2 U A 5 -6.376 0.531 5.425 1.00 0.00 O ATOM 134 O5' U A 5 -4.317 -0.517 6.362 1.00 0.00 O ATOM 135 C5' U A 5 -3.588 -1.129 7.409 1.00 0.00 C ATOM 136 C4' U A 5 -2.075 -0.875 7.291 1.00 0.00 C ATOM 137 O4' U A 5 -1.523 -1.466 6.112 1.00 0.00 O ATOM 138 C3' U A 5 -1.652 0.606 7.298 1.00 0.00 C ATOM 139 O3' U A 5 -1.506 1.192 8.587 1.00 0.00 O ATOM 140 C2' U A 5 -0.287 0.486 6.620 1.00 0.00 C ATOM 141 O2' U A 5 0.698 0.010 7.531 1.00 0.00 O ATOM 142 C1' U A 5 -0.523 -0.599 5.574 1.00 0.00 C ATOM 143 N1 U A 5 -0.911 -0.021 4.261 1.00 0.00 N ATOM 144 C2 U A 5 0.114 0.371 3.391 1.00 0.00 C ATOM 145 O2 U A 5 1.306 0.370 3.728 1.00 0.00 O ATOM 146 N3 U A 5 -0.288 0.779 2.124 1.00 0.00 N ATOM 147 C4 U A 5 -1.601 0.949 1.707 1.00 0.00 C ATOM 148 O4 U A 5 -1.879 1.302 0.565 1.00 0.00 O ATOM 149 C5 U A 5 -2.585 0.640 2.709 1.00 0.00 C ATOM 150 C6 U A 5 -2.229 0.148 3.914 1.00 0.00 C ATOM 0 H5' U A 5 -3.776 -2.203 7.401 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.944 -0.750 8.367 1.00 0.00 H new ATOM 0 H4' U A 5 -1.683 -1.341 8.195 1.00 0.00 H new ATOM 0 H3' U A 5 -2.393 1.252 6.828 1.00 0.00 H new ATOM 0 H2' U A 5 0.064 1.440 6.228 1.00 0.00 H new ATOM 0 HO2' U A 5 0.389 0.152 8.450 1.00 0.00 H new ATOM 0 H1' U A 5 0.391 -1.158 5.371 1.00 0.00 H new ATOM 0 H3 U A 5 0.446 0.970 1.442 1.00 0.00 H new ATOM 0 H5 U A 5 -3.630 0.805 2.493 1.00 0.00 H new ATOM 0 H6 U A 5 -2.999 -0.119 4.623 1.00 0.00 H new ATOM 161 P G A 6 -1.408 2.785 8.763 1.00 0.00 P ATOM 162 OP1 G A 6 -0.956 3.049 10.148 1.00 0.00 O ATOM 163 OP2 G A 6 -2.716 3.327 8.354 1.00 0.00 O ATOM 164 O5' G A 6 -0.303 3.337 7.731 1.00 0.00 O ATOM 165 C5' G A 6 1.072 3.340 8.068 1.00 0.00 C ATOM 166 C4' G A 6 1.971 3.895 6.950 1.00 0.00 C ATOM 167 O4' G A 6 1.932 3.179 5.716 1.00 0.00 O ATOM 168 C3' G A 6 1.721 5.363 6.605 1.00 0.00 C ATOM 169 O3' G A 6 2.381 6.212 7.534 1.00 0.00 O ATOM 170 C2' G A 6 2.443 5.426 5.257 1.00 0.00 C ATOM 171 O2' G A 6 3.802 5.671 5.546 1.00 0.00 O ATOM 172 C1' G A 6 2.251 4.056 4.628 1.00 0.00 C ATOM 173 N9 G A 6 1.167 4.074 3.613 1.00 0.00 N ATOM 174 C8 G A 6 -0.121 3.673 3.793 1.00 0.00 C ATOM 175 N7 G A 6 -0.888 3.765 2.749 1.00 0.00 N ATOM 176 C5 G A 6 -0.027 4.223 1.763 1.00 0.00 C ATOM 177 C6 G A 6 -0.285 4.453 0.376 1.00 0.00 C ATOM 178 O6 G A 6 -1.336 4.298 -0.250 1.00 0.00 O ATOM 179 N1 G A 6 0.837 4.901 -0.301 1.00 0.00 N ATOM 180 C2 G A 6 2.074 5.075 0.275 1.00 0.00 C ATOM 181 N2 G A 6 3.058 5.454 -0.532 1.00 0.00 N ATOM 182 N3 G A 6 2.343 4.857 1.582 1.00 0.00 N ATOM 183 C4 G A 6 1.241 4.427 2.277 1.00 0.00 C ATOM 0 H5' G A 6 1.383 2.322 8.304 1.00 0.00 H new ATOM 0 H5'' G A 6 1.217 3.935 8.970 1.00 0.00 H new ATOM 0 H4' G A 6 2.952 3.771 7.410 1.00 0.00 H new ATOM 0 H3' G A 6 0.675 5.669 6.606 1.00 0.00 H new ATOM 0 H2' G A 6 2.076 6.199 4.582 1.00 0.00 H new ATOM 0 HO2' G A 6 3.894 5.940 6.484 1.00 0.00 H new ATOM 0 H1' G A 6 3.146 3.729 4.098 1.00 0.00 H new ATOM 0 H8 G A 6 -0.481 3.303 4.741 1.00 0.00 H new ATOM 0 H1 G A 6 0.740 5.116 -1.293 1.00 0.00 H new ATOM 0 H21 G A 6 3.996 5.598 -0.159 1.00 0.00 H new ATOM 0 H22 G A 6 2.875 5.601 -1.525 1.00 0.00 H new ATOM 195 P G A 7 2.119 7.775 7.599 1.00 0.00 P ATOM 196 OP1 G A 7 3.172 8.282 8.503 1.00 0.00 O ATOM 197 OP2 G A 7 0.703 8.038 7.911 1.00 0.00 O ATOM 198 O5' G A 7 2.464 8.300 6.139 1.00 0.00 O ATOM 199 C5' G A 7 3.367 9.372 5.990 1.00 0.00 C ATOM 200 C4' G A 7 3.697 9.742 4.553 1.00 0.00 C ATOM 201 O4' G A 7 3.655 8.620 3.692 1.00 0.00 O ATOM 202 C3' G A 7 2.765 10.822 3.993 1.00 0.00 C ATOM 203 O3' G A 7 3.262 12.110 4.360 1.00 0.00 O ATOM 204 C2' G A 7 2.961 10.560 2.504 1.00 0.00 C ATOM 205 O2' G A 7 4.180 11.176 2.133 1.00 0.00 O ATOM 206 C1' G A 7 3.062 9.030 2.469 1.00 0.00 C ATOM 207 N9 G A 7 1.723 8.431 2.284 1.00 0.00 N ATOM 208 C8 G A 7 0.839 7.920 3.205 1.00 0.00 C ATOM 209 N7 G A 7 -0.280 7.510 2.677 1.00 0.00 N ATOM 210 C5 G A 7 -0.139 7.768 1.316 1.00 0.00 C ATOM 211 C6 G A 7 -1.054 7.585 0.226 1.00 0.00 C ATOM 212 O6 G A 7 -2.205 7.148 0.245 1.00 0.00 O ATOM 213 N1 G A 7 -0.526 8.000 -0.988 1.00 0.00 N ATOM 214 C2 G A 7 0.739 8.512 -1.150 1.00 0.00 C ATOM 215 N2 G A 7 1.129 8.853 -2.369 1.00 0.00 N ATOM 216 N3 G A 7 1.591 8.733 -0.138 1.00 0.00 N ATOM 217 C4 G A 7 1.090 8.337 1.070 1.00 0.00 C ATOM 0 H5' G A 7 4.294 9.121 6.506 1.00 0.00 H new ATOM 0 H5'' G A 7 2.952 10.248 6.488 1.00 0.00 H new ATOM 0 H4' G A 7 4.713 10.136 4.587 1.00 0.00 H new ATOM 0 H3' G A 7 1.729 10.798 4.331 1.00 0.00 H new ATOM 0 H2' G A 7 2.188 10.938 1.835 1.00 0.00 H new ATOM 0 HO2' G A 7 4.445 11.819 2.823 1.00 0.00 H new ATOM 0 H1' G A 7 3.673 8.695 1.631 1.00 0.00 H new ATOM 0 H8 G A 7 1.051 7.864 4.262 1.00 0.00 H new ATOM 0 H1 G A 7 -1.116 7.920 -1.816 1.00 0.00 H new ATOM 0 H21 G A 7 2.063 9.236 -2.517 1.00 0.00 H new ATOM 0 H22 G A 7 0.495 8.733 -3.159 1.00 0.00 H new ATOM 229 P C A 8 2.391 13.450 4.284 1.00 0.00 P ATOM 230 OP1 C A 8 3.357 14.569 4.406 1.00 0.00 O ATOM 231 OP2 C A 8 1.303 13.362 5.274 1.00 0.00 O ATOM 232 O5' C A 8 1.719 13.470 2.854 1.00 0.00 O ATOM 233 C5' C A 8 2.347 14.060 1.742 1.00 0.00 C ATOM 234 C4' C A 8 1.398 13.999 0.547 1.00 0.00 C ATOM 235 O4' C A 8 1.145 12.650 0.190 1.00 0.00 O ATOM 236 C3' C A 8 0.017 14.633 0.791 1.00 0.00 C ATOM 237 O3' C A 8 -0.068 16.041 0.593 1.00 0.00 O ATOM 238 C2' C A 8 -0.775 13.951 -0.315 1.00 0.00 C ATOM 239 O2' C A 8 -0.538 14.670 -1.511 1.00 0.00 O ATOM 240 C1' C A 8 -0.173 12.544 -0.351 1.00 0.00 C ATOM 241 N1 C A 8 -1.036 11.621 0.442 1.00 0.00 N ATOM 242 C2 C A 8 -2.211 11.154 -0.151 1.00 0.00 C ATOM 243 O2 C A 8 -2.540 11.517 -1.284 1.00 0.00 O ATOM 244 N3 C A 8 -3.030 10.321 0.550 1.00 0.00 N ATOM 245 C4 C A 8 -2.671 9.878 1.760 1.00 0.00 C ATOM 246 N4 C A 8 -3.450 8.968 2.329 1.00 0.00 N ATOM 247 C5 C A 8 -1.542 10.432 2.441 1.00 0.00 C ATOM 248 C6 C A 8 -0.764 11.299 1.749 1.00 0.00 C ATOM 0 H5' C A 8 3.276 13.538 1.513 1.00 0.00 H new ATOM 0 H5'' C A 8 2.609 15.095 1.962 1.00 0.00 H new ATOM 0 H4' C A 8 1.911 14.563 -0.232 1.00 0.00 H new ATOM 0 H3' C A 8 -0.303 14.503 1.825 1.00 0.00 H new ATOM 0 H2' C A 8 -1.855 13.914 -0.173 1.00 0.00 H new ATOM 0 HO2' C A 8 -0.405 15.618 -1.302 1.00 0.00 H new ATOM 0 HO3' C A 8 -0.983 16.342 0.772 1.00 0.00 H new ATOM 0 H1' C A 8 -0.120 12.139 -1.361 1.00 0.00 H new ATOM 0 H41 C A 8 -3.216 8.601 3.251 1.00 0.00 H new ATOM 0 H42 C A 8 -4.283 8.635 1.844 1.00 0.00 H new ATOM 0 H5 C A 8 -1.319 10.170 3.465 1.00 0.00 H new ATOM 0 H6 C A 8 0.089 11.747 2.236 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.325 7.893 -4.809 1.00 0.00 O ATOM 263 C5' G B 101 -9.647 8.190 -6.156 1.00 0.00 C ATOM 264 C4' G B 101 -8.551 8.952 -6.919 1.00 0.00 C ATOM 265 O4' G B 101 -8.161 10.169 -6.286 1.00 0.00 O ATOM 266 C3' G B 101 -7.291 8.108 -7.153 1.00 0.00 C ATOM 267 O3' G B 101 -7.252 7.592 -8.475 1.00 0.00 O ATOM 268 C2' G B 101 -6.177 9.132 -6.955 1.00 0.00 C ATOM 269 O2' G B 101 -5.998 9.786 -8.198 1.00 0.00 O ATOM 270 C1' G B 101 -6.789 10.081 -5.919 1.00 0.00 C ATOM 271 N9 G B 101 -6.664 9.614 -4.509 1.00 0.00 N ATOM 272 C8 G B 101 -6.131 8.447 -4.018 1.00 0.00 C ATOM 273 N7 G B 101 -6.203 8.321 -2.724 1.00 0.00 N ATOM 274 C5 G B 101 -6.822 9.494 -2.307 1.00 0.00 C ATOM 275 C6 G B 101 -7.182 9.938 -0.990 1.00 0.00 C ATOM 276 O6 G B 101 -6.982 9.392 0.097 1.00 0.00 O ATOM 277 N1 G B 101 -7.830 11.167 -1.005 1.00 0.00 N ATOM 278 C2 G B 101 -8.061 11.913 -2.140 1.00 0.00 C ATOM 279 N2 G B 101 -8.720 13.056 -2.015 1.00 0.00 N ATOM 280 N3 G B 101 -7.621 11.566 -3.361 1.00 0.00 N ATOM 281 C4 G B 101 -7.061 10.316 -3.389 1.00 0.00 C ATOM 0 H5' G B 101 -10.563 8.780 -6.176 1.00 0.00 H new ATOM 0 H5'' G B 101 -9.856 7.258 -6.681 1.00 0.00 H new ATOM 0 H4' G B 101 -9.015 9.186 -7.877 1.00 0.00 H new ATOM 0 H3' G B 101 -7.227 7.240 -6.496 1.00 0.00 H new ATOM 0 H2' G B 101 -5.212 8.737 -6.636 1.00 0.00 H new ATOM 0 HO2' G B 101 -6.343 9.218 -8.919 1.00 0.00 H new ATOM 0 HO5' G B 101 -8.413 8.196 -4.616 1.00 0.00 H new ATOM 0 H1' G B 101 -6.262 11.035 -5.932 1.00 0.00 H new ATOM 0 H8 G B 101 -5.688 7.695 -4.654 1.00 0.00 H new ATOM 0 H1 G B 101 -8.157 11.543 -0.115 1.00 0.00 H new ATOM 0 H21 G B 101 -8.906 13.630 -2.837 1.00 0.00 H new ATOM 0 H22 G B 101 -9.041 13.362 -1.096 1.00 0.00 H new ATOM 294 P C B 102 -6.446 6.262 -8.830 1.00 0.00 P ATOM 295 OP1 C B 102 -6.723 5.972 -10.249 1.00 0.00 O ATOM 296 OP2 C B 102 -6.779 5.221 -7.834 1.00 0.00 O ATOM 297 O5' C B 102 -4.913 6.634 -8.670 1.00 0.00 O ATOM 298 C5' C B 102 -4.205 7.313 -9.693 1.00 0.00 C ATOM 299 C4' C B 102 -2.835 7.784 -9.199 1.00 0.00 C ATOM 300 O4' C B 102 -2.931 8.445 -7.944 1.00 0.00 O ATOM 301 C3' C B 102 -1.828 6.648 -9.042 1.00 0.00 C ATOM 302 O3' C B 102 -1.176 6.368 -10.271 1.00 0.00 O ATOM 303 C2' C B 102 -0.860 7.325 -8.079 1.00 0.00 C ATOM 304 O2' C B 102 -0.027 8.197 -8.813 1.00 0.00 O ATOM 305 C1' C B 102 -1.774 8.140 -7.177 1.00 0.00 C ATOM 306 N1 C B 102 -2.105 7.448 -5.896 1.00 0.00 N ATOM 307 C2 C B 102 -1.366 7.786 -4.754 1.00 0.00 C ATOM 308 O2 C B 102 -0.327 8.461 -4.802 1.00 0.00 O ATOM 309 N3 C B 102 -1.833 7.392 -3.537 1.00 0.00 N ATOM 310 C4 C B 102 -2.947 6.650 -3.419 1.00 0.00 C ATOM 311 N4 C B 102 -3.362 6.303 -2.207 1.00 0.00 N ATOM 312 C5 C B 102 -3.676 6.212 -4.576 1.00 0.00 C ATOM 313 C6 C B 102 -3.209 6.629 -5.782 1.00 0.00 C ATOM 0 H5' C B 102 -4.786 8.170 -10.034 1.00 0.00 H new ATOM 0 H5'' C B 102 -4.078 6.653 -10.551 1.00 0.00 H new ATOM 0 H4' C B 102 -2.482 8.468 -9.971 1.00 0.00 H new ATOM 0 H3' C B 102 -2.246 5.695 -8.718 1.00 0.00 H new ATOM 0 H2' C B 102 -0.226 6.629 -7.530 1.00 0.00 H new ATOM 0 HO2' C B 102 -0.076 7.971 -9.765 1.00 0.00 H new ATOM 0 H1' C B 102 -1.269 9.052 -6.858 1.00 0.00 H new ATOM 0 H41 C B 102 -4.206 5.740 -2.099 1.00 0.00 H new ATOM 0 H42 C B 102 -2.837 6.599 -1.384 1.00 0.00 H new ATOM 0 H5 C B 102 -4.550 5.584 -4.492 1.00 0.00 H new ATOM 0 H6 C B 102 -3.718 6.309 -6.679 1.00 0.00 H new ATOM 325 P C B 103 -0.379 5.007 -10.499 1.00 0.00 P ATOM 326 OP1 C B 103 0.275 5.103 -11.819 1.00 0.00 O ATOM 327 OP2 C B 103 -1.299 3.881 -10.236 1.00 0.00 O ATOM 328 O5' C B 103 0.757 5.014 -9.390 1.00 0.00 O ATOM 329 C5' C B 103 2.026 5.576 -9.672 1.00 0.00 C ATOM 330 C4' C B 103 2.916 5.643 -8.429 1.00 0.00 C ATOM 331 O4' C B 103 2.303 6.415 -7.399 1.00 0.00 O ATOM 332 C3' C B 103 3.220 4.286 -7.789 1.00 0.00 C ATOM 333 O3' C B 103 4.232 3.508 -8.417 1.00 0.00 O ATOM 334 C2' C B 103 3.667 4.759 -6.410 1.00 0.00 C ATOM 335 O2' C B 103 5.010 5.193 -6.523 1.00 0.00 O ATOM 336 C1' C B 103 2.697 5.905 -6.126 1.00 0.00 C ATOM 337 N1 C B 103 1.535 5.401 -5.335 1.00 0.00 N ATOM 338 C2 C B 103 1.603 5.471 -3.937 1.00 0.00 C ATOM 339 O2 C B 103 2.554 6.011 -3.354 1.00 0.00 O ATOM 340 N3 C B 103 0.600 4.925 -3.196 1.00 0.00 N ATOM 341 C4 C B 103 -0.433 4.314 -3.791 1.00 0.00 C ATOM 342 N4 C B 103 -1.392 3.811 -3.035 1.00 0.00 N ATOM 343 C5 C B 103 -0.531 4.219 -5.212 1.00 0.00 C ATOM 344 C6 C B 103 0.473 4.765 -5.937 1.00 0.00 C ATOM 0 H5' C B 103 1.895 6.579 -10.078 1.00 0.00 H new ATOM 0 H5'' C B 103 2.522 4.983 -10.441 1.00 0.00 H new ATOM 0 H4' C B 103 3.840 6.085 -8.802 1.00 0.00 H new ATOM 0 H3' C B 103 2.372 3.603 -7.836 1.00 0.00 H new ATOM 0 H2' C B 103 3.646 4.015 -5.614 1.00 0.00 H new ATOM 0 HO2' C B 103 5.404 4.828 -7.343 1.00 0.00 H new ATOM 0 H1' C B 103 3.152 6.697 -5.531 1.00 0.00 H new ATOM 0 H41 C B 103 -2.188 3.341 -3.466 1.00 0.00 H new ATOM 0 H42 C B 103 -1.336 3.892 -2.020 1.00 0.00 H new ATOM 0 H5 C B 103 -1.370 3.733 -5.688 1.00 0.00 H new ATOM 0 H6 C B 103 0.440 4.700 -7.015 1.00 0.00 H new ATOM 356 P A B 104 4.399 1.961 -8.024 1.00 0.00 P ATOM 357 OP1 A B 104 5.290 1.338 -9.023 1.00 0.00 O ATOM 358 OP2 A B 104 3.053 1.392 -7.792 1.00 0.00 O ATOM 359 O5' A B 104 5.137 1.977 -6.619 1.00 0.00 O ATOM 360 C5' A B 104 6.527 2.169 -6.474 1.00 0.00 C ATOM 361 C4' A B 104 6.888 2.227 -4.981 1.00 0.00 C ATOM 362 O4' A B 104 6.046 3.110 -4.236 1.00 0.00 O ATOM 363 C3' A B 104 6.829 0.875 -4.272 1.00 0.00 C ATOM 364 O3' A B 104 8.083 0.207 -4.330 1.00 0.00 O ATOM 365 C2' A B 104 6.573 1.317 -2.832 1.00 0.00 C ATOM 366 O2' A B 104 7.847 1.619 -2.291 1.00 0.00 O ATOM 367 C1' A B 104 5.697 2.556 -2.960 1.00 0.00 C ATOM 368 N9 A B 104 4.247 2.221 -2.892 1.00 0.00 N ATOM 369 C8 A B 104 3.375 2.045 -3.936 1.00 0.00 C ATOM 370 N7 A B 104 2.135 1.842 -3.603 1.00 0.00 N ATOM 371 C5 A B 104 2.198 1.823 -2.217 1.00 0.00 C ATOM 372 C6 A B 104 1.208 1.636 -1.237 1.00 0.00 C ATOM 373 N6 A B 104 -0.067 1.480 -1.559 1.00 0.00 N ATOM 374 N1 A B 104 1.561 1.609 0.055 1.00 0.00 N ATOM 375 C2 A B 104 2.843 1.738 0.375 1.00 0.00 C ATOM 376 N3 A B 104 3.887 1.922 -0.450 1.00 0.00 N ATOM 377 C4 A B 104 3.488 1.968 -1.761 1.00 0.00 C ATOM 0 H5' A B 104 6.830 3.092 -6.968 1.00 0.00 H new ATOM 0 H5'' A B 104 7.069 1.356 -6.958 1.00 0.00 H new ATOM 0 H4' A B 104 7.916 2.590 -4.998 1.00 0.00 H new ATOM 0 H3' A B 104 6.096 0.189 -4.698 1.00 0.00 H new ATOM 0 H2' A B 104 6.084 0.583 -2.191 1.00 0.00 H new ATOM 0 HO2' A B 104 8.543 1.203 -2.841 1.00 0.00 H new ATOM 0 H1' A B 104 5.863 3.258 -2.143 1.00 0.00 H new ATOM 0 H8 A B 104 3.697 2.073 -4.966 1.00 0.00 H new ATOM 0 H61 A B 104 -0.765 1.346 -0.827 1.00 0.00 H new ATOM 0 H62 A B 104 -0.351 1.494 -2.539 1.00 0.00 H new ATOM 0 H2 A B 104 3.075 1.689 1.429 1.00 0.00 H new ATOM 389 P DC B 105 8.155 -1.380 -4.365 1.00 0.00 P ATOM 390 OP1 DC B 105 9.589 -1.739 -4.437 1.00 0.00 O ATOM 391 OP2 DC B 105 7.231 -1.847 -5.407 1.00 0.00 O ATOM 392 O5' DC B 105 7.578 -1.778 -2.930 1.00 0.00 O ATOM 393 C5' DC B 105 8.394 -1.812 -1.775 1.00 0.00 C ATOM 394 C4' DC B 105 7.556 -1.921 -0.494 1.00 0.00 C ATOM 395 O4' DC B 105 6.544 -0.925 -0.453 1.00 0.00 O ATOM 396 C3' DC B 105 6.869 -3.271 -0.303 1.00 0.00 C ATOM 397 O3' DC B 105 7.752 -4.175 0.341 1.00 0.00 O ATOM 398 C2' DC B 105 5.715 -2.859 0.606 1.00 0.00 C ATOM 399 C1' DC B 105 5.366 -1.449 0.153 1.00 0.00 C ATOM 400 N1 DC B 105 4.192 -1.482 -0.764 1.00 0.00 N ATOM 401 C2 DC B 105 2.915 -1.567 -0.195 1.00 0.00 C ATOM 402 O2 DC B 105 2.748 -1.659 1.024 1.00 0.00 O ATOM 403 N3 DC B 105 1.821 -1.551 -1.002 1.00 0.00 N ATOM 404 C4 DC B 105 1.961 -1.469 -2.327 1.00 0.00 C ATOM 405 N4 DC B 105 0.855 -1.360 -3.042 1.00 0.00 N ATOM 406 C5 DC B 105 3.250 -1.441 -2.950 1.00 0.00 C ATOM 407 C6 DC B 105 4.332 -1.455 -2.132 1.00 0.00 C ATOM 0 H5' DC B 105 9.006 -0.911 -1.735 1.00 0.00 H new ATOM 0 H5'' DC B 105 9.077 -2.659 -1.836 1.00 0.00 H new ATOM 0 H4' DC B 105 8.282 -1.789 0.308 1.00 0.00 H new ATOM 0 H3' DC B 105 6.557 -3.781 -1.215 1.00 0.00 H new ATOM 0 H2' DC B 105 4.865 -3.533 0.500 1.00 0.00 H new ATOM 0 H2'' DC B 105 6.009 -2.879 1.656 1.00 0.00 H new ATOM 0 H1' DC B 105 5.068 -0.803 0.979 1.00 0.00 H new ATOM 0 H41 DC B 105 0.909 -1.294 -4.058 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.053 -1.342 -2.577 1.00 0.00 H new ATOM 0 H5 DC B 105 3.356 -1.410 -4.024 1.00 0.00 H new ATOM 0 H6 DC B 105 5.322 -1.445 -2.563 1.00 0.00 H new ATOM 419 P DT B 106 7.546 -5.756 0.286 1.00 0.00 P ATOM 420 OP1 DT B 106 8.703 -6.349 1.002 1.00 0.00 O ATOM 421 OP2 DT B 106 7.278 -6.159 -1.107 1.00 0.00 O ATOM 422 O5' DT B 106 6.224 -6.060 1.120 1.00 0.00 O ATOM 423 C5' DT B 106 6.194 -5.927 2.526 1.00 0.00 C ATOM 424 C4' DT B 106 4.755 -5.987 3.032 1.00 0.00 C ATOM 425 O4' DT B 106 3.971 -4.986 2.399 1.00 0.00 O ATOM 426 C3' DT B 106 4.056 -7.319 2.768 1.00 0.00 C ATOM 427 O3' DT B 106 4.362 -8.301 3.751 1.00 0.00 O ATOM 428 C2' DT B 106 2.620 -6.842 2.880 1.00 0.00 C ATOM 429 C1' DT B 106 2.617 -5.422 2.338 1.00 0.00 C ATOM 430 N1 DT B 106 2.029 -5.382 0.970 1.00 0.00 N ATOM 431 C2 DT B 106 0.636 -5.433 0.836 1.00 0.00 C ATOM 432 O2 DT B 106 -0.122 -5.689 1.782 1.00 0.00 O ATOM 433 N3 DT B 106 0.137 -5.194 -0.435 1.00 0.00 N ATOM 434 C4 DT B 106 0.890 -4.944 -1.573 1.00 0.00 C ATOM 435 O4 DT B 106 0.330 -4.651 -2.631 1.00 0.00 O ATOM 436 C5 DT B 106 2.325 -5.071 -1.374 1.00 0.00 C ATOM 437 C7 DT B 106 3.262 -4.950 -2.554 1.00 0.00 C ATOM 438 C6 DT B 106 2.835 -5.299 -0.138 1.00 0.00 C ATOM 0 H5' DT B 106 6.651 -4.982 2.819 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.782 -6.721 2.986 1.00 0.00 H new ATOM 0 H4' DT B 106 4.831 -5.842 4.110 1.00 0.00 H new ATOM 0 H3' DT B 106 4.328 -7.813 1.835 1.00 0.00 H new ATOM 0 H2' DT B 106 1.949 -7.482 2.307 1.00 0.00 H new ATOM 0 H2'' DT B 106 2.278 -6.867 3.915 1.00 0.00 H new ATOM 0 H1' DT B 106 1.990 -4.747 2.921 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.877 -5.203 -0.544 1.00 0.00 H new ATOM 0 H71 DT B 106 4.217 -4.545 -2.220 1.00 0.00 H new ATOM 0 H72 DT B 106 3.420 -5.934 -2.996 1.00 0.00 H new ATOM 0 H73 DT B 106 2.826 -4.284 -3.298 1.00 0.00 H new ATOM 0 H6 DT B 106 3.902 -5.418 -0.023 1.00 0.00 H new ATOM 451 P DG B 107 3.692 -9.756 3.739 1.00 0.00 P ATOM 452 OP1 DG B 107 4.247 -10.535 4.865 1.00 0.00 O ATOM 453 OP2 DG B 107 3.834 -10.332 2.388 1.00 0.00 O ATOM 454 O5' DG B 107 2.135 -9.583 3.998 1.00 0.00 O ATOM 455 C5' DG B 107 1.616 -9.197 5.259 1.00 0.00 C ATOM 456 C4' DG B 107 0.084 -9.312 5.276 1.00 0.00 C ATOM 457 O4' DG B 107 -0.481 -8.683 4.128 1.00 0.00 O ATOM 458 C3' DG B 107 -0.343 -10.777 5.236 1.00 0.00 C ATOM 459 O3' DG B 107 -1.591 -10.966 5.885 1.00 0.00 O ATOM 460 C2' DG B 107 -0.513 -11.029 3.754 1.00 0.00 C ATOM 461 C1' DG B 107 -1.058 -9.694 3.299 1.00 0.00 C ATOM 462 N9 DG B 107 -0.861 -9.464 1.857 1.00 0.00 N ATOM 463 C8 DG B 107 0.316 -9.394 1.168 1.00 0.00 C ATOM 464 N7 DG B 107 0.165 -9.239 -0.122 1.00 0.00 N ATOM 465 C5 DG B 107 -1.222 -9.194 -0.301 1.00 0.00 C ATOM 466 C6 DG B 107 -2.015 -9.062 -1.495 1.00 0.00 C ATOM 467 O6 DG B 107 -1.644 -8.871 -2.658 1.00 0.00 O ATOM 468 N1 DG B 107 -3.377 -9.195 -1.249 1.00 0.00 N ATOM 469 C2 DG B 107 -3.922 -9.406 -0.004 1.00 0.00 C ATOM 470 N2 DG B 107 -5.241 -9.493 0.099 1.00 0.00 N ATOM 471 N3 DG B 107 -3.201 -9.520 1.124 1.00 0.00 N ATOM 472 C4 DG B 107 -1.855 -9.393 0.908 1.00 0.00 C ATOM 0 H5' DG B 107 1.911 -8.171 5.480 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.041 -9.826 6.041 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.264 -8.831 6.190 1.00 0.00 H new ATOM 0 H3' DG B 107 0.369 -11.437 5.732 1.00 0.00 H new ATOM 0 H2' DG B 107 0.430 -11.278 3.267 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.203 -11.848 3.551 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.141 -9.671 3.417 1.00 0.00 H new ATOM 0 H8 DG B 107 1.283 -9.461 1.645 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.013 -9.132 -2.044 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.672 -9.649 1.010 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.824 -9.404 -0.733 1.00 0.00 H new ATOM 484 P DC B 108 -2.002 -12.349 6.555 1.00 0.00 P ATOM 485 OP1 DC B 108 -3.450 -12.277 6.831 1.00 0.00 O ATOM 486 OP2 DC B 108 -1.075 -12.637 7.670 1.00 0.00 O ATOM 487 O5' DC B 108 -1.713 -13.462 5.439 1.00 0.00 O ATOM 488 C5' DC B 108 -2.769 -14.150 4.788 1.00 0.00 C ATOM 489 C4' DC B 108 -2.347 -15.506 4.202 1.00 0.00 C ATOM 490 O4' DC B 108 -1.848 -15.277 2.892 1.00 0.00 O ATOM 491 C3' DC B 108 -1.212 -16.202 4.976 1.00 0.00 C ATOM 492 O3' DC B 108 -1.398 -17.608 5.026 1.00 0.00 O ATOM 493 C2' DC B 108 0.015 -15.916 4.114 1.00 0.00 C ATOM 494 C1' DC B 108 -0.581 -15.892 2.715 1.00 0.00 C ATOM 495 N1 DC B 108 0.284 -15.104 1.798 1.00 0.00 N ATOM 496 C2 DC B 108 1.273 -15.770 1.063 1.00 0.00 C ATOM 497 O2 DC B 108 1.383 -17.000 1.056 1.00 0.00 O ATOM 498 N3 DC B 108 2.180 -15.039 0.361 1.00 0.00 N ATOM 499 C4 DC B 108 2.138 -13.704 0.372 1.00 0.00 C ATOM 500 N4 DC B 108 3.071 -13.049 -0.301 1.00 0.00 N ATOM 501 C5 DC B 108 1.141 -12.991 1.113 1.00 0.00 C ATOM 502 C6 DC B 108 0.228 -13.728 1.801 1.00 0.00 C ATOM 0 H5' DC B 108 -3.161 -13.523 3.987 1.00 0.00 H new ATOM 0 H5'' DC B 108 -3.582 -14.307 5.497 1.00 0.00 H new ATOM 0 H4' DC B 108 -3.228 -16.147 4.243 1.00 0.00 H new ATOM 0 H3' DC B 108 -1.148 -15.851 6.006 1.00 0.00 H new ATOM 0 H2' DC B 108 0.484 -14.967 4.374 1.00 0.00 H new ATOM 0 H2'' DC B 108 0.777 -16.688 4.220 1.00 0.00 H new ATOM 0 HO3' DC B 108 -0.659 -18.018 5.523 1.00 0.00 H new ATOM 0 H1' DC B 108 -0.666 -16.882 2.268 1.00 0.00 H new ATOM 0 H41 DC B 108 3.069 -12.029 -0.314 1.00 0.00 H new ATOM 0 H42 DC B 108 3.792 -13.564 -0.806 1.00 0.00 H new ATOM 0 H5 DC B 108 1.115 -11.911 1.125 1.00 0.00 H new ATOM 0 H6 DC B 108 -0.551 -13.228 2.357 1.00 0.00 H new TER 515 DC B 108