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 -26:sc= 0.303 USER MOD Single : A 1 G O5' : rot -29:sc= 0.0102 USER MOD Single : A 2 C O2' : rot -24:sc= 0.324 USER MOD Single : A 3 A O2' : rot -20:sc= 0.0321 USER MOD Single : A 4 G O2' : rot -20:sc= 0.342 USER MOD Single : A 5 U O2' : rot -20:sc= 0.333 USER MOD Single : A 6 G O2' : rot -20:sc= 0.079 USER MOD Single : A 7 G O2' : rot -22:sc= 0.213 USER MOD Single : A 8 C O2' : rot -15:sc= 0.322 USER MOD Single : A 8 C O3' : rot -154:sc= 1.54 USER MOD Single : B 101 G O2' : rot -17:sc= 0.121 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -21:sc= 0.347 USER MOD Single : B 103 C O2' : rot -31:sc= 0.173 USER MOD Single : B 104 A O2' : rot -18:sc= 0.469 USER MOD Single : B 106 DT C7 :methyl 150:sc= -0.13 (180deg=-0.13) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.123 -12.776 -9.999 1.00 0.00 O ATOM 2 C5' G A 1 -4.756 -11.612 -9.489 1.00 0.00 C ATOM 3 C4' G A 1 -6.212 -11.941 -9.127 1.00 0.00 C ATOM 4 O4' G A 1 -6.256 -12.973 -8.140 1.00 0.00 O ATOM 5 C3' G A 1 -7.010 -10.748 -8.570 1.00 0.00 C ATOM 6 O3' G A 1 -7.746 -10.049 -9.556 1.00 0.00 O ATOM 7 C2' G A 1 -8.027 -11.506 -7.716 1.00 0.00 C ATOM 8 O2' G A 1 -9.053 -12.034 -8.557 1.00 0.00 O ATOM 9 C1' G A 1 -7.203 -12.643 -7.131 1.00 0.00 C ATOM 10 N9 G A 1 -6.546 -12.231 -5.872 1.00 0.00 N ATOM 11 C8 G A 1 -5.264 -11.808 -5.658 1.00 0.00 C ATOM 12 N7 G A 1 -4.981 -11.571 -4.406 1.00 0.00 N ATOM 13 C5 G A 1 -6.174 -11.816 -3.739 1.00 0.00 C ATOM 14 C6 G A 1 -6.505 -11.690 -2.351 1.00 0.00 C ATOM 15 O6 G A 1 -5.771 -11.408 -1.402 1.00 0.00 O ATOM 16 N1 G A 1 -7.860 -11.883 -2.114 1.00 0.00 N ATOM 17 C2 G A 1 -8.775 -12.219 -3.088 1.00 0.00 C ATOM 18 N2 G A 1 -10.061 -12.256 -2.778 1.00 0.00 N ATOM 19 N3 G A 1 -8.458 -12.456 -4.369 1.00 0.00 N ATOM 20 C4 G A 1 -7.144 -12.205 -4.637 1.00 0.00 C ATOM 0 H5' G A 1 -4.725 -10.813 -10.230 1.00 0.00 H new ATOM 0 H5'' G A 1 -4.224 -11.251 -8.609 1.00 0.00 H new ATOM 0 H4' G A 1 -6.671 -12.248 -10.067 1.00 0.00 H new ATOM 0 H3' G A 1 -6.372 -10.005 -8.092 1.00 0.00 H new ATOM 0 H2' G A 1 -8.511 -10.889 -6.959 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.123 -11.489 -9.369 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.529 -13.572 -9.596 1.00 0.00 H new ATOM 0 H1' G A 1 -7.819 -13.503 -6.868 1.00 0.00 H new ATOM 0 H8 G A 1 -4.547 -11.681 -6.456 1.00 0.00 H new ATOM 0 H1 G A 1 -8.199 -11.769 -1.159 1.00 0.00 H new ATOM 0 H21 G A 1 -10.750 -12.503 -3.488 1.00 0.00 H new ATOM 0 H22 G A 1 -10.363 -12.037 -1.829 1.00 0.00 H new ATOM 33 P C A 2 -8.342 -8.585 -9.330 1.00 0.00 P ATOM 34 OP1 C A 2 -9.506 -8.481 -10.235 1.00 0.00 O ATOM 35 OP2 C A 2 -7.214 -7.648 -9.504 1.00 0.00 O ATOM 36 O5' C A 2 -8.864 -8.485 -7.828 1.00 0.00 O ATOM 37 C5' C A 2 -10.192 -8.799 -7.440 1.00 0.00 C ATOM 38 C4' C A 2 -10.343 -8.722 -5.910 1.00 0.00 C ATOM 39 O4' C A 2 -9.421 -9.588 -5.238 1.00 0.00 O ATOM 40 C3' C A 2 -10.117 -7.318 -5.352 1.00 0.00 C ATOM 41 O3' C A 2 -11.277 -6.504 -5.214 1.00 0.00 O ATOM 42 C2' C A 2 -9.645 -7.669 -3.956 1.00 0.00 C ATOM 43 O2' C A 2 -10.778 -7.911 -3.137 1.00 0.00 O ATOM 44 C1' C A 2 -8.881 -8.959 -4.069 1.00 0.00 C ATOM 45 N1 C A 2 -7.409 -8.710 -4.121 1.00 0.00 N ATOM 46 C2 C A 2 -6.681 -8.600 -2.924 1.00 0.00 C ATOM 47 O2 C A 2 -7.217 -8.715 -1.816 1.00 0.00 O ATOM 48 N3 C A 2 -5.328 -8.412 -2.974 1.00 0.00 N ATOM 49 C4 C A 2 -4.705 -8.302 -4.157 1.00 0.00 C ATOM 50 N4 C A 2 -3.392 -8.124 -4.184 1.00 0.00 N ATOM 51 C5 C A 2 -5.414 -8.439 -5.388 1.00 0.00 C ATOM 52 C6 C A 2 -6.750 -8.627 -5.319 1.00 0.00 C ATOM 0 H5' C A 2 -10.451 -9.800 -7.786 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.888 -8.108 -7.915 1.00 0.00 H new ATOM 0 H4' C A 2 -11.373 -9.028 -5.725 1.00 0.00 H new ATOM 0 H3' C A 2 -9.465 -6.738 -6.006 1.00 0.00 H new ATOM 0 H2' C A 2 -9.039 -6.867 -3.534 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.555 -7.440 -3.506 1.00 0.00 H new ATOM 0 H1' C A 2 -8.993 -9.613 -3.204 1.00 0.00 H new ATOM 0 H41 C A 2 -2.907 -8.039 -5.077 1.00 0.00 H new ATOM 0 H42 C A 2 -2.866 -8.072 -3.311 1.00 0.00 H new ATOM 0 H5 C A 2 -4.902 -8.394 -6.338 1.00 0.00 H new ATOM 0 H6 C A 2 -7.315 -8.714 -6.235 1.00 0.00 H new ATOM 64 P A A 3 -11.117 -4.930 -4.990 1.00 0.00 P ATOM 65 OP1 A A 3 -12.481 -4.437 -4.694 1.00 0.00 O ATOM 66 OP2 A A 3 -10.426 -4.407 -6.175 1.00 0.00 O ATOM 67 O5' A A 3 -10.229 -4.769 -3.660 1.00 0.00 O ATOM 68 C5' A A 3 -10.856 -4.771 -2.383 1.00 0.00 C ATOM 69 C4' A A 3 -9.958 -5.131 -1.189 1.00 0.00 C ATOM 70 O4' A A 3 -8.961 -6.081 -1.519 1.00 0.00 O ATOM 71 C3' A A 3 -9.235 -3.982 -0.479 1.00 0.00 C ATOM 72 O3' A A 3 -10.062 -3.268 0.432 1.00 0.00 O ATOM 73 C2' A A 3 -8.149 -4.785 0.240 1.00 0.00 C ATOM 74 O2' A A 3 -8.643 -5.493 1.368 1.00 0.00 O ATOM 75 C1' A A 3 -7.777 -5.828 -0.795 1.00 0.00 C ATOM 76 N9 A A 3 -6.681 -5.389 -1.677 1.00 0.00 N ATOM 77 C8 A A 3 -6.706 -5.059 -3.011 1.00 0.00 C ATOM 78 N7 A A 3 -5.518 -4.953 -3.552 1.00 0.00 N ATOM 79 C5 A A 3 -4.654 -5.172 -2.476 1.00 0.00 C ATOM 80 C6 A A 3 -3.249 -5.210 -2.339 1.00 0.00 C ATOM 81 N6 A A 3 -2.404 -4.983 -3.344 1.00 0.00 N ATOM 82 N1 A A 3 -2.717 -5.537 -1.148 1.00 0.00 N ATOM 83 C2 A A 3 -3.521 -5.764 -0.110 1.00 0.00 C ATOM 84 N3 A A 3 -4.849 -5.723 -0.093 1.00 0.00 N ATOM 85 C4 A A 3 -5.357 -5.423 -1.324 1.00 0.00 C ATOM 0 H5' A A 3 -11.688 -5.474 -2.411 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.280 -3.782 -2.208 1.00 0.00 H new ATOM 0 H4' A A 3 -10.704 -5.526 -0.500 1.00 0.00 H new ATOM 0 H3' A A 3 -8.883 -3.191 -1.141 1.00 0.00 H new ATOM 0 H2' A A 3 -7.350 -4.134 0.593 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.487 -5.091 1.663 1.00 0.00 H new ATOM 0 H1' A A 3 -7.396 -6.730 -0.316 1.00 0.00 H new ATOM 0 H8 A A 3 -7.621 -4.902 -3.562 1.00 0.00 H new ATOM 0 H61 A A 3 -1.398 -5.025 -3.183 1.00 0.00 H new ATOM 0 H62 A A 3 -2.764 -4.768 -4.274 1.00 0.00 H new ATOM 0 H2 A A 3 -3.038 -6.009 0.824 1.00 0.00 H new ATOM 97 P G A 4 -9.529 -1.965 1.201 1.00 0.00 P ATOM 98 OP1 G A 4 -10.573 -1.556 2.155 1.00 0.00 O ATOM 99 OP2 G A 4 -9.104 -0.982 0.178 1.00 0.00 O ATOM 100 O5' G A 4 -8.229 -2.381 2.017 1.00 0.00 O ATOM 101 C5' G A 4 -8.284 -2.948 3.303 1.00 0.00 C ATOM 102 C4' G A 4 -6.939 -3.516 3.794 1.00 0.00 C ATOM 103 O4' G A 4 -6.185 -4.145 2.762 1.00 0.00 O ATOM 104 C3' G A 4 -6.038 -2.473 4.464 1.00 0.00 C ATOM 105 O3' G A 4 -6.234 -2.458 5.869 1.00 0.00 O ATOM 106 C2' G A 4 -4.653 -3.050 4.168 1.00 0.00 C ATOM 107 O2' G A 4 -4.358 -4.074 5.101 1.00 0.00 O ATOM 108 C1' G A 4 -4.833 -3.700 2.808 1.00 0.00 C ATOM 109 N9 G A 4 -4.504 -2.777 1.701 1.00 0.00 N ATOM 110 C8 G A 4 -5.331 -2.119 0.832 1.00 0.00 C ATOM 111 N7 G A 4 -4.729 -1.585 -0.194 1.00 0.00 N ATOM 112 C5 G A 4 -3.380 -1.859 0.042 1.00 0.00 C ATOM 113 C6 G A 4 -2.203 -1.554 -0.724 1.00 0.00 C ATOM 114 O6 G A 4 -2.121 -1.061 -1.859 1.00 0.00 O ATOM 115 N1 G A 4 -1.034 -1.884 -0.048 1.00 0.00 N ATOM 116 C2 G A 4 -0.997 -2.494 1.186 1.00 0.00 C ATOM 117 N2 G A 4 0.165 -2.654 1.804 1.00 0.00 N ATOM 118 N3 G A 4 -2.083 -2.882 1.864 1.00 0.00 N ATOM 119 C4 G A 4 -3.240 -2.521 1.243 1.00 0.00 C ATOM 0 H5' G A 4 -9.027 -3.746 3.306 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.627 -2.191 4.009 1.00 0.00 H new ATOM 0 H4' G A 4 -7.237 -4.258 4.534 1.00 0.00 H new ATOM 0 H3' G A 4 -6.212 -1.455 4.115 1.00 0.00 H new ATOM 0 H2' G A 4 -3.863 -2.300 4.210 1.00 0.00 H new ATOM 0 HO2' G A 4 -4.924 -3.967 5.894 1.00 0.00 H new ATOM 0 H1' G A 4 -4.146 -4.536 2.678 1.00 0.00 H new ATOM 0 H8 G A 4 -6.398 -2.048 0.984 1.00 0.00 H new ATOM 0 H1 G A 4 -0.145 -1.660 -0.495 1.00 0.00 H new ATOM 0 H21 G A 4 0.199 -3.105 2.718 1.00 0.00 H new ATOM 0 H22 G A 4 1.025 -2.326 1.365 1.00 0.00 H new ATOM 131 P U A 5 -5.727 -1.252 6.770 1.00 0.00 P ATOM 132 OP1 U A 5 -5.931 -1.720 8.158 1.00 0.00 O ATOM 133 OP2 U A 5 -6.440 -0.041 6.320 1.00 0.00 O ATOM 134 O5' U A 5 -4.168 -1.074 6.494 1.00 0.00 O ATOM 135 C5' U A 5 -3.205 -1.722 7.305 1.00 0.00 C ATOM 136 C4' U A 5 -1.777 -1.374 6.880 1.00 0.00 C ATOM 137 O4' U A 5 -1.499 -1.745 5.535 1.00 0.00 O ATOM 138 C3' U A 5 -1.432 0.116 6.969 1.00 0.00 C ATOM 139 O3' U A 5 -1.119 0.558 8.278 1.00 0.00 O ATOM 140 C2' U A 5 -0.171 0.135 6.121 1.00 0.00 C ATOM 141 O2' U A 5 0.871 -0.343 6.951 1.00 0.00 O ATOM 142 C1' U A 5 -0.514 -0.855 5.013 1.00 0.00 C ATOM 143 N1 U A 5 -1.005 -0.130 3.812 1.00 0.00 N ATOM 144 C2 U A 5 -0.046 0.324 2.902 1.00 0.00 C ATOM 145 O2 U A 5 1.167 0.289 3.136 1.00 0.00 O ATOM 146 N3 U A 5 -0.531 0.844 1.712 1.00 0.00 N ATOM 147 C4 U A 5 -1.863 1.073 1.405 1.00 0.00 C ATOM 148 O4 U A 5 -2.186 1.521 0.304 1.00 0.00 O ATOM 149 C5 U A 5 -2.779 0.709 2.467 1.00 0.00 C ATOM 150 C6 U A 5 -2.346 0.116 3.608 1.00 0.00 C ATOM 0 H5' U A 5 -3.348 -2.801 7.248 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.354 -1.435 8.346 1.00 0.00 H new ATOM 0 H4' U A 5 -1.177 -1.940 7.593 1.00 0.00 H new ATOM 0 H3' U A 5 -2.255 0.762 6.662 1.00 0.00 H new ATOM 0 H2' U A 5 0.136 1.100 5.718 1.00 0.00 H new ATOM 0 HO2' U A 5 0.605 -0.260 7.891 1.00 0.00 H new ATOM 0 H1' U A 5 0.363 -1.421 4.699 1.00 0.00 H new ATOM 0 H3 U A 5 0.156 1.080 0.996 1.00 0.00 H new ATOM 0 H5 U A 5 -3.832 0.915 2.347 1.00 0.00 H new ATOM 0 H6 U A 5 -3.061 -0.167 4.366 1.00 0.00 H new ATOM 161 P G A 6 -1.077 2.108 8.628 1.00 0.00 P ATOM 162 OP1 G A 6 -0.552 2.178 10.005 1.00 0.00 O ATOM 163 OP2 G A 6 -2.421 2.657 8.347 1.00 0.00 O ATOM 164 O5' G A 6 -0.059 2.811 7.618 1.00 0.00 O ATOM 165 C5' G A 6 1.300 2.983 7.964 1.00 0.00 C ATOM 166 C4' G A 6 2.134 3.608 6.841 1.00 0.00 C ATOM 167 O4' G A 6 2.068 2.853 5.631 1.00 0.00 O ATOM 168 C3' G A 6 1.789 5.041 6.439 1.00 0.00 C ATOM 169 O3' G A 6 2.265 6.014 7.355 1.00 0.00 O ATOM 170 C2' G A 6 2.584 5.100 5.130 1.00 0.00 C ATOM 171 O2' G A 6 3.979 5.216 5.381 1.00 0.00 O ATOM 172 C1' G A 6 2.298 3.730 4.524 1.00 0.00 C ATOM 173 N9 G A 6 1.147 3.813 3.594 1.00 0.00 N ATOM 174 C8 G A 6 -0.164 3.494 3.816 1.00 0.00 C ATOM 175 N7 G A 6 -0.960 3.739 2.816 1.00 0.00 N ATOM 176 C5 G A 6 -0.108 4.207 1.826 1.00 0.00 C ATOM 177 C6 G A 6 -0.395 4.594 0.481 1.00 0.00 C ATOM 178 O6 G A 6 -1.492 4.661 -0.081 1.00 0.00 O ATOM 179 N1 G A 6 0.747 4.945 -0.223 1.00 0.00 N ATOM 180 C2 G A 6 2.016 4.977 0.313 1.00 0.00 C ATOM 181 N2 G A 6 3.020 5.345 -0.474 1.00 0.00 N ATOM 182 N3 G A 6 2.297 4.647 1.584 1.00 0.00 N ATOM 183 C4 G A 6 1.192 4.252 2.288 1.00 0.00 C ATOM 0 H5' G A 6 1.726 2.015 8.229 1.00 0.00 H new ATOM 0 H5'' G A 6 1.366 3.614 8.851 1.00 0.00 H new ATOM 0 H4' G A 6 3.123 3.607 7.299 1.00 0.00 H new ATOM 0 H3' G A 6 0.721 5.252 6.385 1.00 0.00 H new ATOM 0 H2' G A 6 2.312 5.948 4.502 1.00 0.00 H new ATOM 0 HO2' G A 6 4.121 5.558 6.288 1.00 0.00 H new ATOM 0 H1' G A 6 3.126 3.353 3.924 1.00 0.00 H new ATOM 0 H8 G A 6 -0.511 3.072 4.748 1.00 0.00 H new ATOM 0 H1 G A 6 0.640 5.197 -1.206 1.00 0.00 H new ATOM 0 H21 G A 6 3.971 5.378 -0.106 1.00 0.00 H new ATOM 0 H22 G A 6 2.841 5.594 -1.447 1.00 0.00 H new ATOM 195 P G A 7 1.837 7.540 7.215 1.00 0.00 P ATOM 196 OP1 G A 7 2.526 8.281 8.295 1.00 0.00 O ATOM 197 OP2 G A 7 0.369 7.636 7.113 1.00 0.00 O ATOM 198 O5' G A 7 2.410 8.024 5.817 1.00 0.00 O ATOM 199 C5' G A 7 3.425 8.989 5.721 1.00 0.00 C ATOM 200 C4' G A 7 3.841 9.259 4.270 1.00 0.00 C ATOM 201 O4' G A 7 3.742 8.085 3.460 1.00 0.00 O ATOM 202 C3' G A 7 3.011 10.342 3.561 1.00 0.00 C ATOM 203 O3' G A 7 3.408 11.699 3.674 1.00 0.00 O ATOM 204 C2' G A 7 3.228 9.954 2.106 1.00 0.00 C ATOM 205 O2' G A 7 4.490 10.426 1.653 1.00 0.00 O ATOM 206 C1' G A 7 3.158 8.431 2.206 1.00 0.00 C ATOM 207 N9 G A 7 1.728 8.035 2.090 1.00 0.00 N ATOM 208 C8 G A 7 0.820 7.690 3.060 1.00 0.00 C ATOM 209 N7 G A 7 -0.404 7.566 2.631 1.00 0.00 N ATOM 210 C5 G A 7 -0.298 7.758 1.260 1.00 0.00 C ATOM 211 C6 G A 7 -1.304 7.728 0.239 1.00 0.00 C ATOM 212 O6 G A 7 -2.525 7.583 0.360 1.00 0.00 O ATOM 213 N1 G A 7 -0.765 7.912 -1.028 1.00 0.00 N ATOM 214 C2 G A 7 0.557 8.195 -1.284 1.00 0.00 C ATOM 215 N2 G A 7 0.907 8.540 -2.514 1.00 0.00 N ATOM 216 N3 G A 7 1.501 8.281 -0.333 1.00 0.00 N ATOM 217 C4 G A 7 1.015 8.006 0.915 1.00 0.00 C ATOM 0 H5' G A 7 4.294 8.656 6.289 1.00 0.00 H new ATOM 0 H5'' G A 7 3.083 9.918 6.177 1.00 0.00 H new ATOM 0 H4' G A 7 4.871 9.602 4.365 1.00 0.00 H new ATOM 0 H3' G A 7 2.010 10.345 3.993 1.00 0.00 H new ATOM 0 H2' G A 7 2.518 10.370 1.392 1.00 0.00 H new ATOM 0 HO2' G A 7 4.782 11.172 2.217 1.00 0.00 H new ATOM 0 H1' G A 7 3.699 7.908 1.418 1.00 0.00 H new ATOM 0 H8 G A 7 1.097 7.534 4.092 1.00 0.00 H new ATOM 0 H1 G A 7 -1.395 7.831 -1.826 1.00 0.00 H new ATOM 0 H21 G A 7 1.882 8.754 -2.726 1.00 0.00 H new ATOM 0 H22 G A 7 0.202 8.592 -3.249 1.00 0.00 H new ATOM 229 P C A 8 3.356 12.500 5.041 1.00 0.00 P ATOM 230 OP1 C A 8 3.461 13.923 4.659 1.00 0.00 O ATOM 231 OP2 C A 8 4.417 11.923 5.885 1.00 0.00 O ATOM 232 O5' C A 8 1.891 12.218 5.617 1.00 0.00 O ATOM 233 C5' C A 8 0.780 12.752 4.924 1.00 0.00 C ATOM 234 C4' C A 8 -0.595 12.150 5.248 1.00 0.00 C ATOM 235 O4' C A 8 -1.500 12.666 4.288 1.00 0.00 O ATOM 236 C3' C A 8 -0.713 10.618 5.196 1.00 0.00 C ATOM 237 O3' C A 8 -0.518 10.060 6.492 1.00 0.00 O ATOM 238 C2' C A 8 -2.141 10.420 4.693 1.00 0.00 C ATOM 239 O2' C A 8 -2.982 10.432 5.827 1.00 0.00 O ATOM 240 C1' C A 8 -2.371 11.651 3.797 1.00 0.00 C ATOM 241 N1 C A 8 -2.092 11.456 2.341 1.00 0.00 N ATOM 242 C2 C A 8 -3.153 11.609 1.436 1.00 0.00 C ATOM 243 O2 C A 8 -4.239 12.076 1.785 1.00 0.00 O ATOM 244 N3 C A 8 -2.925 11.398 0.106 1.00 0.00 N ATOM 245 C4 C A 8 -1.727 11.020 -0.327 1.00 0.00 C ATOM 246 N4 C A 8 -1.602 10.845 -1.637 1.00 0.00 N ATOM 247 C5 C A 8 -0.600 10.944 0.551 1.00 0.00 C ATOM 248 C6 C A 8 -0.834 11.153 1.870 1.00 0.00 C ATOM 0 H5' C A 8 0.958 12.635 3.855 1.00 0.00 H new ATOM 0 H5'' C A 8 0.738 13.823 5.125 1.00 0.00 H new ATOM 0 H4' C A 8 -0.797 12.420 6.285 1.00 0.00 H new ATOM 0 H3' C A 8 0.029 10.130 4.564 1.00 0.00 H new ATOM 0 H2' C A 8 -2.329 9.494 4.149 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.441 10.326 6.637 1.00 0.00 H new ATOM 0 HO3' C A 8 -0.181 9.144 6.406 1.00 0.00 H new ATOM 0 H1' C A 8 -3.432 11.895 3.850 1.00 0.00 H new ATOM 0 H41 C A 8 -0.706 10.555 -2.030 1.00 0.00 H new ATOM 0 H42 C A 8 -2.402 11.001 -2.251 1.00 0.00 H new ATOM 0 H5 C A 8 0.392 10.730 0.180 1.00 0.00 H new ATOM 0 H6 C A 8 -0.014 11.080 2.569 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -10.964 6.674 -6.486 1.00 0.00 O ATOM 263 C5' G B 101 -9.582 6.365 -6.544 1.00 0.00 C ATOM 264 C4' G B 101 -8.764 7.616 -6.882 1.00 0.00 C ATOM 265 O4' G B 101 -8.770 8.553 -5.818 1.00 0.00 O ATOM 266 C3' G B 101 -7.290 7.307 -7.133 1.00 0.00 C ATOM 267 O3' G B 101 -7.113 6.793 -8.437 1.00 0.00 O ATOM 268 C2' G B 101 -6.666 8.694 -6.979 1.00 0.00 C ATOM 269 O2' G B 101 -6.741 9.485 -8.159 1.00 0.00 O ATOM 270 C1' G B 101 -7.561 9.311 -5.894 1.00 0.00 C ATOM 271 N9 G B 101 -6.897 9.405 -4.576 1.00 0.00 N ATOM 272 C8 G B 101 -6.668 8.419 -3.649 1.00 0.00 C ATOM 273 N7 G B 101 -6.353 8.872 -2.468 1.00 0.00 N ATOM 274 C5 G B 101 -6.309 10.250 -2.633 1.00 0.00 C ATOM 275 C6 G B 101 -6.145 11.286 -1.662 1.00 0.00 C ATOM 276 O6 G B 101 -6.091 11.179 -0.439 1.00 0.00 O ATOM 277 N1 G B 101 -6.136 12.554 -2.222 1.00 0.00 N ATOM 278 C2 G B 101 -6.385 12.803 -3.556 1.00 0.00 C ATOM 279 N2 G B 101 -6.448 14.061 -3.972 1.00 0.00 N ATOM 280 N3 G B 101 -6.623 11.845 -4.469 1.00 0.00 N ATOM 281 C4 G B 101 -6.571 10.584 -3.942 1.00 0.00 C ATOM 0 H5' G B 101 -9.407 5.595 -7.296 1.00 0.00 H new ATOM 0 H5'' G B 101 -9.254 5.957 -5.588 1.00 0.00 H new ATOM 0 H4' G B 101 -9.239 8.014 -7.779 1.00 0.00 H new ATOM 0 H3' G B 101 -6.856 6.557 -6.472 1.00 0.00 H new ATOM 0 H2' G B 101 -5.601 8.643 -6.751 1.00 0.00 H new ATOM 0 HO2' G B 101 -6.939 8.909 -8.927 1.00 0.00 H new ATOM 0 HO5' G B 101 -11.472 5.864 -6.271 1.00 0.00 H new ATOM 0 H1' G B 101 -7.781 10.341 -6.176 1.00 0.00 H new ATOM 0 H8 G B 101 -6.742 7.366 -3.877 1.00 0.00 H new ATOM 0 H1 G B 101 -5.934 13.347 -1.614 1.00 0.00 H new ATOM 0 H21 G B 101 -6.631 14.265 -4.955 1.00 0.00 H new ATOM 0 H22 G B 101 -6.313 14.825 -3.309 1.00 0.00 H new ATOM 294 P C B 102 -6.351 5.430 -8.705 1.00 0.00 P ATOM 295 OP1 C B 102 -6.710 5.029 -10.084 1.00 0.00 O ATOM 296 OP2 C B 102 -6.562 4.498 -7.582 1.00 0.00 O ATOM 297 O5' C B 102 -4.820 5.835 -8.676 1.00 0.00 O ATOM 298 C5' C B 102 -4.255 6.649 -9.679 1.00 0.00 C ATOM 299 C4' C B 102 -2.965 7.285 -9.180 1.00 0.00 C ATOM 300 O4' C B 102 -3.191 8.102 -8.047 1.00 0.00 O ATOM 301 C3' C B 102 -1.872 6.281 -8.852 1.00 0.00 C ATOM 302 O3' C B 102 -1.200 6.037 -10.071 1.00 0.00 O ATOM 303 C2' C B 102 -1.036 7.098 -7.884 1.00 0.00 C ATOM 304 O2' C B 102 -0.170 7.912 -8.652 1.00 0.00 O ATOM 305 C1' C B 102 -2.078 7.959 -7.174 1.00 0.00 C ATOM 306 N1 C B 102 -2.490 7.447 -5.834 1.00 0.00 N ATOM 307 C2 C B 102 -1.805 7.929 -4.716 1.00 0.00 C ATOM 308 O2 C B 102 -0.773 8.600 -4.827 1.00 0.00 O ATOM 309 N3 C B 102 -2.276 7.655 -3.471 1.00 0.00 N ATOM 310 C4 C B 102 -3.354 6.873 -3.305 1.00 0.00 C ATOM 311 N4 C B 102 -3.763 6.622 -2.073 1.00 0.00 N ATOM 312 C5 C B 102 -4.047 6.314 -4.426 1.00 0.00 C ATOM 313 C6 C B 102 -3.583 6.628 -5.661 1.00 0.00 C ATOM 0 H5' C B 102 -4.963 7.426 -9.968 1.00 0.00 H new ATOM 0 H5'' C B 102 -4.054 6.054 -10.570 1.00 0.00 H new ATOM 0 H4' C B 102 -2.616 7.892 -10.015 1.00 0.00 H new ATOM 0 H3' C B 102 -2.161 5.315 -8.437 1.00 0.00 H new ATOM 0 H2' C B 102 -0.432 6.514 -7.189 1.00 0.00 H new ATOM 0 HO2' C B 102 -0.070 7.529 -9.548 1.00 0.00 H new ATOM 0 H1' C B 102 -1.626 8.927 -6.957 1.00 0.00 H new ATOM 0 H41 C B 102 -4.580 6.031 -1.917 1.00 0.00 H new ATOM 0 H42 C B 102 -3.262 7.020 -1.278 1.00 0.00 H new ATOM 0 H5 C B 102 -4.903 5.669 -4.294 1.00 0.00 H new ATOM 0 H6 C B 102 -4.083 6.226 -6.530 1.00 0.00 H new ATOM 325 P C B 103 -0.225 4.817 -10.338 1.00 0.00 P ATOM 326 OP1 C B 103 0.304 5.066 -11.690 1.00 0.00 O ATOM 327 OP2 C B 103 -0.916 3.543 -10.034 1.00 0.00 O ATOM 328 O5' C B 103 0.935 4.997 -9.276 1.00 0.00 O ATOM 329 C5' C B 103 2.137 5.664 -9.601 1.00 0.00 C ATOM 330 C4' C B 103 2.989 5.817 -8.341 1.00 0.00 C ATOM 331 O4' C B 103 2.224 6.393 -7.294 1.00 0.00 O ATOM 332 C3' C B 103 3.550 4.509 -7.781 1.00 0.00 C ATOM 333 O3' C B 103 4.726 4.079 -8.446 1.00 0.00 O ATOM 334 C2' C B 103 3.869 4.962 -6.359 1.00 0.00 C ATOM 335 O2' C B 103 5.086 5.696 -6.343 1.00 0.00 O ATOM 336 C1' C B 103 2.705 5.903 -6.047 1.00 0.00 C ATOM 337 N1 C B 103 1.629 5.266 -5.240 1.00 0.00 N ATOM 338 C2 C B 103 1.677 5.447 -3.852 1.00 0.00 C ATOM 339 O2 C B 103 2.665 5.942 -3.294 1.00 0.00 O ATOM 340 N3 C B 103 0.597 5.102 -3.099 1.00 0.00 N ATOM 341 C4 C B 103 -0.470 4.525 -3.666 1.00 0.00 C ATOM 342 N4 C B 103 -1.496 4.225 -2.889 1.00 0.00 N ATOM 343 C5 C B 103 -0.534 4.290 -5.076 1.00 0.00 C ATOM 344 C6 C B 103 0.538 4.658 -5.819 1.00 0.00 C ATOM 0 H5' C B 103 1.919 6.643 -10.027 1.00 0.00 H new ATOM 0 H5'' C B 103 2.685 5.102 -10.358 1.00 0.00 H new ATOM 0 H4' C B 103 3.822 6.444 -8.660 1.00 0.00 H new ATOM 0 H3' C B 103 2.876 3.658 -7.878 1.00 0.00 H new ATOM 0 H2' C B 103 3.981 4.139 -5.653 1.00 0.00 H new ATOM 0 HO2' C B 103 5.679 5.362 -7.048 1.00 0.00 H new ATOM 0 H1' C B 103 3.056 6.721 -5.418 1.00 0.00 H new ATOM 0 H41 C B 103 -2.326 3.785 -3.287 1.00 0.00 H new ATOM 0 H42 C B 103 -1.458 4.434 -1.891 1.00 0.00 H new ATOM 0 H5 C B 103 -1.403 3.837 -5.530 1.00 0.00 H new ATOM 0 H6 C B 103 0.536 4.471 -6.883 1.00 0.00 H new ATOM 356 P A B 104 5.270 2.581 -8.276 1.00 0.00 P ATOM 357 OP1 A B 104 6.446 2.482 -9.165 1.00 0.00 O ATOM 358 OP2 A B 104 4.148 1.643 -8.458 1.00 0.00 O ATOM 359 O5' A B 104 5.722 2.434 -6.763 1.00 0.00 O ATOM 360 C5' A B 104 7.047 2.678 -6.344 1.00 0.00 C ATOM 361 C4' A B 104 7.138 2.534 -4.825 1.00 0.00 C ATOM 362 O4' A B 104 6.118 3.296 -4.195 1.00 0.00 O ATOM 363 C3' A B 104 6.980 1.105 -4.317 1.00 0.00 C ATOM 364 O3' A B 104 8.238 0.444 -4.287 1.00 0.00 O ATOM 365 C2' A B 104 6.506 1.377 -2.891 1.00 0.00 C ATOM 366 O2' A B 104 7.669 1.584 -2.111 1.00 0.00 O ATOM 367 C1' A B 104 5.686 2.661 -2.992 1.00 0.00 C ATOM 368 N9 A B 104 4.234 2.361 -3.020 1.00 0.00 N ATOM 369 C8 A B 104 3.426 2.129 -4.108 1.00 0.00 C ATOM 370 N7 A B 104 2.176 1.917 -3.810 1.00 0.00 N ATOM 371 C5 A B 104 2.178 1.891 -2.421 1.00 0.00 C ATOM 372 C6 A B 104 1.159 1.704 -1.465 1.00 0.00 C ATOM 373 N6 A B 104 -0.120 1.551 -1.787 1.00 0.00 N ATOM 374 N1 A B 104 1.484 1.684 -0.166 1.00 0.00 N ATOM 375 C2 A B 104 2.754 1.855 0.188 1.00 0.00 C ATOM 376 N3 A B 104 3.813 2.068 -0.603 1.00 0.00 N ATOM 377 C4 A B 104 3.448 2.066 -1.925 1.00 0.00 C ATOM 0 H5' A B 104 7.356 3.680 -6.644 1.00 0.00 H new ATOM 0 H5'' A B 104 7.727 1.977 -6.827 1.00 0.00 H new ATOM 0 H4' A B 104 8.141 2.883 -4.578 1.00 0.00 H new ATOM 0 H3' A B 104 6.324 0.476 -4.918 1.00 0.00 H new ATOM 0 H2' A B 104 5.917 0.575 -2.446 1.00 0.00 H new ATOM 0 HO2' A B 104 8.448 1.221 -2.582 1.00 0.00 H new ATOM 0 H1' A B 104 5.837 3.310 -2.129 1.00 0.00 H new ATOM 0 H8 A B 104 3.796 2.123 -5.123 1.00 0.00 H new ATOM 0 H61 A B 104 -0.818 1.419 -1.055 1.00 0.00 H new ATOM 0 H62 A B 104 -0.405 1.566 -2.766 1.00 0.00 H new ATOM 0 H2 A B 104 2.957 1.817 1.248 1.00 0.00 H new ATOM 389 P DC B 105 8.349 -1.131 -4.442 1.00 0.00 P ATOM 390 OP1 DC B 105 9.784 -1.452 -4.257 1.00 0.00 O ATOM 391 OP2 DC B 105 7.689 -1.520 -5.704 1.00 0.00 O ATOM 392 O5' DC B 105 7.527 -1.707 -3.190 1.00 0.00 O ATOM 393 C5' DC B 105 8.199 -1.972 -1.967 1.00 0.00 C ATOM 394 C4' DC B 105 7.319 -1.993 -0.717 1.00 0.00 C ATOM 395 O4' DC B 105 6.355 -0.956 -0.753 1.00 0.00 O ATOM 396 C3' DC B 105 6.587 -3.303 -0.428 1.00 0.00 C ATOM 397 O3' DC B 105 7.423 -4.222 0.255 1.00 0.00 O ATOM 398 C2' DC B 105 5.510 -2.753 0.498 1.00 0.00 C ATOM 399 C1' DC B 105 5.178 -1.387 -0.092 1.00 0.00 C ATOM 400 N1 DC B 105 3.985 -1.462 -0.981 1.00 0.00 N ATOM 401 C2 DC B 105 2.729 -1.550 -0.370 1.00 0.00 C ATOM 402 O2 DC B 105 2.617 -1.586 0.859 1.00 0.00 O ATOM 403 N3 DC B 105 1.604 -1.615 -1.126 1.00 0.00 N ATOM 404 C4 DC B 105 1.693 -1.573 -2.458 1.00 0.00 C ATOM 405 N4 DC B 105 0.556 -1.636 -3.136 1.00 0.00 N ATOM 406 C5 DC B 105 2.963 -1.478 -3.121 1.00 0.00 C ATOM 407 C6 DC B 105 4.084 -1.428 -2.350 1.00 0.00 C ATOM 0 H5' DC B 105 8.975 -1.219 -1.830 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.701 -2.936 -2.051 1.00 0.00 H new ATOM 0 H4' DC B 105 8.039 -1.856 0.089 1.00 0.00 H new ATOM 0 H3' DC B 105 6.237 -3.855 -1.300 1.00 0.00 H new ATOM 0 H2' DC B 105 4.634 -3.401 0.521 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.870 -2.668 1.523 1.00 0.00 H new ATOM 0 H1' DC B 105 4.898 -0.662 0.672 1.00 0.00 H new ATOM 0 H41 DC B 105 0.568 -1.608 -4.156 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.331 -1.713 -2.638 1.00 0.00 H new ATOM 0 H5 DC B 105 3.027 -1.447 -4.199 1.00 0.00 H new ATOM 0 H6 DC B 105 5.055 -1.361 -2.817 1.00 0.00 H new ATOM 419 P DT B 106 7.028 -5.750 0.483 1.00 0.00 P ATOM 420 OP1 DT B 106 8.110 -6.380 1.275 1.00 0.00 O ATOM 421 OP2 DT B 106 6.633 -6.380 -0.786 1.00 0.00 O ATOM 422 O5' DT B 106 5.719 -5.789 1.370 1.00 0.00 O ATOM 423 C5' DT B 106 5.714 -5.540 2.761 1.00 0.00 C ATOM 424 C4' DT B 106 4.296 -5.723 3.299 1.00 0.00 C ATOM 425 O4' DT B 106 3.423 -4.776 2.696 1.00 0.00 O ATOM 426 C3' DT B 106 3.707 -7.102 3.009 1.00 0.00 C ATOM 427 O3' DT B 106 4.108 -8.079 3.952 1.00 0.00 O ATOM 428 C2' DT B 106 2.228 -6.770 3.097 1.00 0.00 C ATOM 429 C1' DT B 106 2.143 -5.373 2.504 1.00 0.00 C ATOM 430 N1 DT B 106 1.751 -5.437 1.067 1.00 0.00 N ATOM 431 C2 DT B 106 0.396 -5.599 0.761 1.00 0.00 C ATOM 432 O2 DT B 106 -0.470 -5.827 1.610 1.00 0.00 O ATOM 433 N3 DT B 106 0.056 -5.503 -0.571 1.00 0.00 N ATOM 434 C4 DT B 106 0.921 -5.321 -1.629 1.00 0.00 C ATOM 435 O4 DT B 106 0.485 -5.315 -2.781 1.00 0.00 O ATOM 436 C5 DT B 106 2.319 -5.238 -1.246 1.00 0.00 C ATOM 437 C7 DT B 106 3.376 -5.095 -2.320 1.00 0.00 C ATOM 438 C6 DT B 106 2.680 -5.314 0.060 1.00 0.00 C ATOM 0 H5' DT B 106 6.064 -4.528 2.963 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.398 -6.221 3.267 1.00 0.00 H new ATOM 0 H4' DT B 106 4.376 -5.592 4.378 1.00 0.00 H new ATOM 0 H3' DT B 106 4.022 -7.548 2.065 1.00 0.00 H new ATOM 0 H2' DT B 106 1.623 -7.482 2.536 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.872 -6.791 4.127 1.00 0.00 H new ATOM 0 H1' DT B 106 1.376 -4.770 2.991 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.936 -5.574 -0.797 1.00 0.00 H new ATOM 0 H71 DT B 106 4.225 -4.538 -1.923 1.00 0.00 H new ATOM 0 H72 DT B 106 3.707 -6.083 -2.638 1.00 0.00 H new ATOM 0 H73 DT B 106 2.958 -4.560 -3.173 1.00 0.00 H new ATOM 0 H6 DT B 106 3.728 -5.277 0.316 1.00 0.00 H new ATOM 451 P DG B 107 3.718 -9.613 3.779 1.00 0.00 P ATOM 452 OP1 DG B 107 4.524 -10.402 4.733 1.00 0.00 O ATOM 453 OP2 DG B 107 3.747 -9.975 2.351 1.00 0.00 O ATOM 454 O5' DG B 107 2.204 -9.769 4.251 1.00 0.00 O ATOM 455 C5' DG B 107 1.796 -9.338 5.538 1.00 0.00 C ATOM 456 C4' DG B 107 0.266 -9.253 5.650 1.00 0.00 C ATOM 457 O4' DG B 107 -0.254 -8.509 4.544 1.00 0.00 O ATOM 458 C3' DG B 107 -0.426 -10.621 5.679 1.00 0.00 C ATOM 459 O3' DG B 107 -1.481 -10.655 6.633 1.00 0.00 O ATOM 460 C2' DG B 107 -0.935 -10.745 4.250 1.00 0.00 C ATOM 461 C1' DG B 107 -1.163 -9.306 3.786 1.00 0.00 C ATOM 462 N9 DG B 107 -0.975 -9.202 2.318 1.00 0.00 N ATOM 463 C8 DG B 107 0.174 -9.398 1.593 1.00 0.00 C ATOM 464 N7 DG B 107 0.005 -9.417 0.301 1.00 0.00 N ATOM 465 C5 DG B 107 -1.363 -9.219 0.148 1.00 0.00 C ATOM 466 C6 DG B 107 -2.161 -9.213 -1.040 1.00 0.00 C ATOM 467 O6 DG B 107 -1.796 -9.355 -2.207 1.00 0.00 O ATOM 468 N1 DG B 107 -3.512 -9.059 -0.783 1.00 0.00 N ATOM 469 C2 DG B 107 -4.041 -8.870 0.470 1.00 0.00 C ATOM 470 N2 DG B 107 -5.347 -8.661 0.558 1.00 0.00 N ATOM 471 N3 DG B 107 -3.319 -8.915 1.604 1.00 0.00 N ATOM 472 C4 DG B 107 -1.978 -9.084 1.376 1.00 0.00 C ATOM 0 H5' DG B 107 2.231 -8.361 5.750 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.178 -10.027 6.291 1.00 0.00 H new ATOM 0 H4' DG B 107 0.058 -8.762 6.600 1.00 0.00 H new ATOM 0 H3' DG B 107 0.226 -11.442 5.979 1.00 0.00 H new ATOM 0 H2' DG B 107 -0.210 -11.254 3.615 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.857 -11.324 4.208 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.181 -8.957 3.959 1.00 0.00 H new ATOM 0 H8 DG B 107 1.141 -9.526 2.056 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.155 -9.088 -1.574 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.780 -8.516 1.470 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.919 -8.645 -0.286 1.00 0.00 H new ATOM 484 P DC B 108 -2.055 -12.050 7.203 1.00 0.00 P ATOM 485 OP1 DC B 108 -2.933 -11.794 8.357 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.960 -13.032 7.358 1.00 0.00 O ATOM 487 O5' DC B 108 -2.988 -12.619 6.056 1.00 0.00 O ATOM 488 C5' DC B 108 -4.272 -12.070 5.825 1.00 0.00 C ATOM 489 C4' DC B 108 -4.949 -12.781 4.651 1.00 0.00 C ATOM 490 O4' DC B 108 -4.309 -12.392 3.455 1.00 0.00 O ATOM 491 C3' DC B 108 -4.840 -14.318 4.696 1.00 0.00 C ATOM 492 O3' DC B 108 -6.051 -14.906 5.131 1.00 0.00 O ATOM 493 C2' DC B 108 -4.468 -14.724 3.266 1.00 0.00 C ATOM 494 C1' DC B 108 -4.540 -13.406 2.492 1.00 0.00 C ATOM 495 N1 DC B 108 -3.545 -13.293 1.389 1.00 0.00 N ATOM 496 C2 DC B 108 -3.946 -13.572 0.079 1.00 0.00 C ATOM 497 O2 DC B 108 -5.058 -14.073 -0.148 1.00 0.00 O ATOM 498 N3 DC B 108 -3.071 -13.327 -0.947 1.00 0.00 N ATOM 499 C4 DC B 108 -1.858 -12.803 -0.705 1.00 0.00 C ATOM 500 N4 DC B 108 -1.066 -12.516 -1.731 1.00 0.00 N ATOM 501 C5 DC B 108 -1.399 -12.587 0.633 1.00 0.00 C ATOM 502 C6 DC B 108 -2.270 -12.847 1.638 1.00 0.00 C ATOM 0 H5' DC B 108 -4.187 -11.004 5.613 1.00 0.00 H new ATOM 0 H5'' DC B 108 -4.884 -12.169 6.721 1.00 0.00 H new ATOM 0 H4' DC B 108 -6.001 -12.501 4.707 1.00 0.00 H new ATOM 0 H3' DC B 108 -4.093 -14.664 5.411 1.00 0.00 H new ATOM 0 H2' DC B 108 -3.471 -15.163 3.220 1.00 0.00 H new ATOM 0 H2'' DC B 108 -5.161 -15.464 2.865 1.00 0.00 H new ATOM 0 HO3' DC B 108 -5.954 -15.881 5.148 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.510 -13.329 2.001 1.00 0.00 H new ATOM 0 H41 DC B 108 -0.142 -12.118 -1.566 1.00 0.00 H new ATOM 0 H42 DC B 108 -1.382 -12.694 -2.684 1.00 0.00 H new ATOM 0 H5 DC B 108 -0.399 -12.231 0.834 1.00 0.00 H new ATOM 0 H6 DC B 108 -1.954 -12.700 2.660 1.00 0.00 H new TER 515 DC B 108