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 -124:sc= 1.09 USER MOD Single : A 1 G O5' : rot 21:sc= 0.142 USER MOD Single : A 2 C O2' : rot -26:sc= 0.26 USER MOD Single : A 3 A O2' : rot -125:sc= 0.134 USER MOD Single : A 4 G O2' : rot -26:sc= 0.267 USER MOD Single : A 5 U O2' : rot -29:sc= 0.0391 USER MOD Single : A 6 G O2' : rot -124:sc= 0.574 USER MOD Single : A 7 G O2' : rot -152:sc= 0.732 USER MOD Single : A 8 C O2' : rot -27:sc= 0.137 USER MOD Single : A 8 C O3' : rot 180:sc= 0.167 USER MOD Single : B 101 G O2' : rot -119:sc= 0.359 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -17:sc= 0.32 USER MOD Single : B 103 C O2' : rot -32:sc= 0.175 USER MOD Single : B 104 A O2' : rot -32:sc= 0.35 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 -4.608 -13.713 -9.042 1.00 0.00 O ATOM 2 C5' G A 1 -5.945 -13.833 -9.510 1.00 0.00 C ATOM 3 C4' G A 1 -6.975 -13.594 -8.394 1.00 0.00 C ATOM 4 O4' G A 1 -6.502 -14.132 -7.161 1.00 0.00 O ATOM 5 C3' G A 1 -7.342 -12.126 -8.159 1.00 0.00 C ATOM 6 O3' G A 1 -8.424 -11.673 -8.962 1.00 0.00 O ATOM 7 C2' G A 1 -7.757 -12.168 -6.694 1.00 0.00 C ATOM 8 O2' G A 1 -9.136 -12.484 -6.537 1.00 0.00 O ATOM 9 C1' G A 1 -6.906 -13.276 -6.098 1.00 0.00 C ATOM 10 N9 G A 1 -5.769 -12.750 -5.300 1.00 0.00 N ATOM 11 C8 G A 1 -4.482 -12.452 -5.679 1.00 0.00 C ATOM 12 N7 G A 1 -3.688 -12.153 -4.682 1.00 0.00 N ATOM 13 C5 G A 1 -4.515 -12.228 -3.562 1.00 0.00 C ATOM 14 C6 G A 1 -4.212 -12.079 -2.167 1.00 0.00 C ATOM 15 O6 G A 1 -3.114 -11.943 -1.621 1.00 0.00 O ATOM 16 N1 G A 1 -5.334 -12.184 -1.360 1.00 0.00 N ATOM 17 C2 G A 1 -6.592 -12.489 -1.817 1.00 0.00 C ATOM 18 N2 G A 1 -7.549 -12.628 -0.913 1.00 0.00 N ATOM 19 N3 G A 1 -6.882 -12.730 -3.109 1.00 0.00 N ATOM 20 C4 G A 1 -5.802 -12.559 -3.936 1.00 0.00 C ATOM 0 H5' G A 1 -6.093 -14.827 -9.931 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.112 -13.118 -10.315 1.00 0.00 H new ATOM 0 H4' G A 1 -7.877 -14.098 -8.740 1.00 0.00 H new ATOM 0 H3' G A 1 -6.530 -11.443 -8.408 1.00 0.00 H new ATOM 0 H2' G A 1 -7.614 -11.200 -6.213 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.574 -11.784 -6.010 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.589 -13.837 -8.070 1.00 0.00 H new ATOM 0 H1' G A 1 -7.490 -13.852 -5.380 1.00 0.00 H new ATOM 0 H8 G A 1 -4.155 -12.463 -6.708 1.00 0.00 H new ATOM 0 H1 G A 1 -5.217 -12.024 -0.359 1.00 0.00 H new ATOM 0 H21 G A 1 -8.499 -12.855 -1.207 1.00 0.00 H new ATOM 0 H22 G A 1 -7.336 -12.509 0.077 1.00 0.00 H new ATOM 33 P C A 2 -8.745 -10.106 -9.102 1.00 0.00 P ATOM 34 OP1 C A 2 -9.904 -9.978 -10.016 1.00 0.00 O ATOM 35 OP2 C A 2 -7.503 -9.408 -9.442 1.00 0.00 O ATOM 36 O5' C A 2 -9.176 -9.610 -7.659 1.00 0.00 O ATOM 37 C5' C A 2 -10.515 -9.512 -7.231 1.00 0.00 C ATOM 38 C4' C A 2 -10.527 -9.307 -5.712 1.00 0.00 C ATOM 39 O4' C A 2 -9.627 -10.226 -5.071 1.00 0.00 O ATOM 40 C3' C A 2 -10.149 -7.916 -5.199 1.00 0.00 C ATOM 41 O3' C A 2 -11.208 -6.984 -5.060 1.00 0.00 O ATOM 42 C2' C A 2 -9.726 -8.300 -3.792 1.00 0.00 C ATOM 43 O2' C A 2 -10.897 -8.527 -3.019 1.00 0.00 O ATOM 44 C1' C A 2 -8.973 -9.597 -3.959 1.00 0.00 C ATOM 45 N1 C A 2 -7.514 -9.301 -4.113 1.00 0.00 N ATOM 46 C2 C A 2 -6.719 -9.243 -2.959 1.00 0.00 C ATOM 47 O2 C A 2 -7.181 -9.450 -1.832 1.00 0.00 O ATOM 48 N3 C A 2 -5.388 -8.967 -3.072 1.00 0.00 N ATOM 49 C4 C A 2 -4.850 -8.698 -4.269 1.00 0.00 C ATOM 50 N4 C A 2 -3.550 -8.468 -4.350 1.00 0.00 N ATOM 51 C5 C A 2 -5.636 -8.716 -5.459 1.00 0.00 C ATOM 52 C6 C A 2 -6.950 -9.005 -5.331 1.00 0.00 C ATOM 0 H5' C A 2 -11.064 -10.416 -7.495 1.00 0.00 H new ATOM 0 H5'' C A 2 -11.012 -8.680 -7.729 1.00 0.00 H new ATOM 0 H4' C A 2 -11.576 -9.469 -5.462 1.00 0.00 H new ATOM 0 H3' C A 2 -9.449 -7.422 -5.873 1.00 0.00 H new ATOM 0 H2' C A 2 -9.124 -7.536 -3.300 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.641 -8.011 -3.394 1.00 0.00 H new ATOM 0 H1' C A 2 -8.995 -10.281 -3.111 1.00 0.00 H new ATOM 0 H41 C A 2 -3.124 -8.262 -5.253 1.00 0.00 H new ATOM 0 H42 C A 2 -2.974 -8.497 -3.509 1.00 0.00 H new ATOM 0 H5 C A 2 -5.199 -8.507 -6.424 1.00 0.00 H new ATOM 0 H6 C A 2 -7.575 -9.003 -6.212 1.00 0.00 H new ATOM 64 P A A 3 -10.875 -5.432 -4.861 1.00 0.00 P ATOM 65 OP1 A A 3 -12.168 -4.745 -4.654 1.00 0.00 O ATOM 66 OP2 A A 3 -10.020 -5.024 -5.988 1.00 0.00 O ATOM 67 O5' A A 3 -10.060 -5.336 -3.482 1.00 0.00 O ATOM 68 C5' A A 3 -10.750 -5.401 -2.241 1.00 0.00 C ATOM 69 C4' A A 3 -9.878 -5.761 -1.029 1.00 0.00 C ATOM 70 O4' A A 3 -8.825 -6.659 -1.331 1.00 0.00 O ATOM 71 C3' A A 3 -9.247 -4.568 -0.316 1.00 0.00 C ATOM 72 O3' A A 3 -10.116 -3.947 0.619 1.00 0.00 O ATOM 73 C2' A A 3 -8.070 -5.235 0.392 1.00 0.00 C ATOM 74 O2' A A 3 -8.466 -5.858 1.602 1.00 0.00 O ATOM 75 C1' A A 3 -7.663 -6.317 -0.597 1.00 0.00 C ATOM 76 N9 A A 3 -6.586 -5.853 -1.498 1.00 0.00 N ATOM 77 C8 A A 3 -6.623 -5.573 -2.843 1.00 0.00 C ATOM 78 N7 A A 3 -5.448 -5.333 -3.374 1.00 0.00 N ATOM 79 C5 A A 3 -4.583 -5.407 -2.281 1.00 0.00 C ATOM 80 C6 A A 3 -3.188 -5.242 -2.120 1.00 0.00 C ATOM 81 N6 A A 3 -2.361 -4.936 -3.118 1.00 0.00 N ATOM 82 N1 A A 3 -2.645 -5.427 -0.904 1.00 0.00 N ATOM 83 C2 A A 3 -3.439 -5.721 0.125 1.00 0.00 C ATOM 84 N3 A A 3 -4.756 -5.883 0.115 1.00 0.00 N ATOM 85 C4 A A 3 -5.273 -5.714 -1.134 1.00 0.00 C ATOM 0 H5' A A 3 -11.549 -6.137 -2.325 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.223 -4.437 -2.055 1.00 0.00 H new ATOM 0 H4' A A 3 -10.605 -6.233 -0.368 1.00 0.00 H new ATOM 0 H3' A A 3 -8.983 -3.758 -0.996 1.00 0.00 H new ATOM 0 H2' A A 3 -7.288 -4.522 0.652 1.00 0.00 H new ATOM 0 HO2' A A 3 -7.915 -5.521 2.339 1.00 0.00 H new ATOM 0 H1' A A 3 -7.265 -7.184 -0.069 1.00 0.00 H new ATOM 0 H8 A A 3 -7.540 -5.552 -3.413 1.00 0.00 H new ATOM 0 H61 A A 3 -1.362 -4.830 -2.939 1.00 0.00 H new ATOM 0 H62 A A 3 -2.726 -4.808 -4.062 1.00 0.00 H new ATOM 0 H2 A A 3 -2.952 -5.842 1.082 1.00 0.00 H new ATOM 97 P G A 4 -9.764 -2.516 1.205 1.00 0.00 P ATOM 98 OP1 G A 4 -10.838 -2.130 2.142 1.00 0.00 O ATOM 99 OP2 G A 4 -9.498 -1.648 0.038 1.00 0.00 O ATOM 100 O5' G A 4 -8.404 -2.677 2.023 1.00 0.00 O ATOM 101 C5' G A 4 -8.405 -3.024 3.393 1.00 0.00 C ATOM 102 C4' G A 4 -7.040 -3.488 3.925 1.00 0.00 C ATOM 103 O4' G A 4 -6.281 -4.172 2.938 1.00 0.00 O ATOM 104 C3' G A 4 -6.168 -2.360 4.496 1.00 0.00 C ATOM 105 O3' G A 4 -6.385 -2.151 5.886 1.00 0.00 O ATOM 106 C2' G A 4 -4.778 -2.954 4.300 1.00 0.00 C ATOM 107 O2' G A 4 -4.510 -3.874 5.348 1.00 0.00 O ATOM 108 C1' G A 4 -4.929 -3.729 3.001 1.00 0.00 C ATOM 109 N9 G A 4 -4.580 -2.901 1.828 1.00 0.00 N ATOM 110 C8 G A 4 -5.405 -2.364 0.881 1.00 0.00 C ATOM 111 N7 G A 4 -4.780 -1.917 -0.175 1.00 0.00 N ATOM 112 C5 G A 4 -3.431 -2.122 0.114 1.00 0.00 C ATOM 113 C6 G A 4 -2.247 -1.870 -0.666 1.00 0.00 C ATOM 114 O6 G A 4 -2.154 -1.494 -1.837 1.00 0.00 O ATOM 115 N1 G A 4 -1.082 -2.112 0.051 1.00 0.00 N ATOM 116 C2 G A 4 -1.059 -2.606 1.334 1.00 0.00 C ATOM 117 N2 G A 4 0.099 -2.731 1.961 1.00 0.00 N ATOM 118 N3 G A 4 -2.149 -2.935 2.040 1.00 0.00 N ATOM 119 C4 G A 4 -3.306 -2.655 1.376 1.00 0.00 C ATOM 0 H5' G A 4 -9.135 -3.817 3.555 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.736 -2.163 3.974 1.00 0.00 H new ATOM 0 H4' G A 4 -7.300 -4.164 4.740 1.00 0.00 H new ATOM 0 H3' G A 4 -6.357 -1.395 4.025 1.00 0.00 H new ATOM 0 H2' G A 4 -3.981 -2.210 4.288 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.042 -3.636 6.136 1.00 0.00 H new ATOM 0 H1' G A 4 -4.244 -4.576 2.983 1.00 0.00 H new ATOM 0 H8 G A 4 -6.478 -2.314 0.995 1.00 0.00 H new ATOM 0 H1 G A 4 -0.190 -1.911 -0.401 1.00 0.00 H new ATOM 0 H21 G A 4 0.127 -3.096 2.913 1.00 0.00 H new ATOM 0 H22 G A 4 0.964 -2.462 1.493 1.00 0.00 H new ATOM 131 P U A 5 -5.884 -0.819 6.619 1.00 0.00 P ATOM 132 OP1 U A 5 -6.163 -1.012 8.059 1.00 0.00 O ATOM 133 OP2 U A 5 -6.503 0.312 5.910 1.00 0.00 O ATOM 134 O5' U A 5 -4.307 -0.736 6.412 1.00 0.00 O ATOM 135 C5' U A 5 -3.415 -1.365 7.312 1.00 0.00 C ATOM 136 C4' U A 5 -1.957 -1.130 6.925 1.00 0.00 C ATOM 137 O4' U A 5 -1.635 -1.626 5.626 1.00 0.00 O ATOM 138 C3' U A 5 -1.500 0.331 6.980 1.00 0.00 C ATOM 139 O3' U A 5 -1.101 0.744 8.279 1.00 0.00 O ATOM 140 C2' U A 5 -0.252 0.216 6.113 1.00 0.00 C ATOM 141 O2' U A 5 0.741 -0.375 6.932 1.00 0.00 O ATOM 142 C1' U A 5 -0.659 -0.767 5.034 1.00 0.00 C ATOM 143 N1 U A 5 -1.152 -0.080 3.816 1.00 0.00 N ATOM 144 C2 U A 5 -0.200 0.278 2.855 1.00 0.00 C ATOM 145 O2 U A 5 1.014 0.142 3.042 1.00 0.00 O ATOM 146 N3 U A 5 -0.692 0.776 1.660 1.00 0.00 N ATOM 147 C4 U A 5 -2.021 1.044 1.382 1.00 0.00 C ATOM 148 O4 U A 5 -2.362 1.462 0.279 1.00 0.00 O ATOM 149 C5 U A 5 -2.924 0.745 2.472 1.00 0.00 C ATOM 150 C6 U A 5 -2.487 0.179 3.621 1.00 0.00 C ATOM 0 H5' U A 5 -3.617 -2.436 7.334 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.589 -0.987 8.319 1.00 0.00 H new ATOM 0 H4' U A 5 -1.424 -1.690 7.693 1.00 0.00 H new ATOM 0 H3' U A 5 -2.271 1.041 6.682 1.00 0.00 H new ATOM 0 H2' U A 5 0.115 1.156 5.700 1.00 0.00 H new ATOM 0 HO2' U A 5 0.577 -0.137 7.868 1.00 0.00 H new ATOM 0 H1' U A 5 0.194 -1.350 4.686 1.00 0.00 H new ATOM 0 H3 U A 5 -0.015 0.962 0.920 1.00 0.00 H new ATOM 0 H5 U A 5 -3.973 0.979 2.366 1.00 0.00 H new ATOM 0 H6 U A 5 -3.197 -0.072 4.395 1.00 0.00 H new ATOM 161 P G A 6 -0.840 2.282 8.615 1.00 0.00 P ATOM 162 OP1 G A 6 -0.124 2.307 9.904 1.00 0.00 O ATOM 163 OP2 G A 6 -2.122 3.006 8.529 1.00 0.00 O ATOM 164 O5' G A 6 0.123 2.841 7.483 1.00 0.00 O ATOM 165 C5' G A 6 1.528 2.710 7.606 1.00 0.00 C ATOM 166 C4' G A 6 2.292 3.419 6.487 1.00 0.00 C ATOM 167 O4' G A 6 2.134 2.841 5.198 1.00 0.00 O ATOM 168 C3' G A 6 1.785 4.844 6.356 1.00 0.00 C ATOM 169 O3' G A 6 2.283 5.651 7.404 1.00 0.00 O ATOM 170 C2' G A 6 2.430 5.180 5.018 1.00 0.00 C ATOM 171 O2' G A 6 3.800 5.469 5.250 1.00 0.00 O ATOM 172 C1' G A 6 2.291 3.881 4.230 1.00 0.00 C ATOM 173 N9 G A 6 1.151 3.922 3.285 1.00 0.00 N ATOM 174 C8 G A 6 -0.158 3.594 3.518 1.00 0.00 C ATOM 175 N7 G A 6 -0.943 3.760 2.495 1.00 0.00 N ATOM 176 C5 G A 6 -0.091 4.189 1.484 1.00 0.00 C ATOM 177 C6 G A 6 -0.374 4.472 0.109 1.00 0.00 C ATOM 178 O6 G A 6 -1.457 4.436 -0.482 1.00 0.00 O ATOM 179 N1 G A 6 0.767 4.819 -0.605 1.00 0.00 N ATOM 180 C2 G A 6 2.030 4.889 -0.066 1.00 0.00 C ATOM 181 N2 G A 6 3.029 5.229 -0.876 1.00 0.00 N ATOM 182 N3 G A 6 2.317 4.627 1.225 1.00 0.00 N ATOM 183 C4 G A 6 1.204 4.277 1.951 1.00 0.00 C ATOM 0 H5' G A 6 1.791 1.652 7.605 1.00 0.00 H new ATOM 0 H5'' G A 6 1.843 3.115 8.568 1.00 0.00 H new ATOM 0 H4' G A 6 3.340 3.343 6.777 1.00 0.00 H new ATOM 0 H3' G A 6 0.706 4.987 6.405 1.00 0.00 H new ATOM 0 H2' G A 6 1.988 6.032 4.502 1.00 0.00 H new ATOM 0 HO2' G A 6 4.012 6.357 4.894 1.00 0.00 H new ATOM 0 H1' G A 6 3.171 3.712 3.610 1.00 0.00 H new ATOM 0 H8 G A 6 -0.509 3.228 4.472 1.00 0.00 H new ATOM 0 H1 G A 6 0.660 5.036 -1.596 1.00 0.00 H new ATOM 0 H21 G A 6 3.980 5.292 -0.514 1.00 0.00 H new ATOM 0 H22 G A 6 2.843 5.427 -1.859 1.00 0.00 H new ATOM 195 P G A 7 1.616 7.048 7.715 1.00 0.00 P ATOM 196 OP1 G A 7 2.374 7.595 8.868 1.00 0.00 O ATOM 197 OP2 G A 7 0.156 6.861 7.834 1.00 0.00 O ATOM 198 O5' G A 7 1.968 7.855 6.383 1.00 0.00 O ATOM 199 C5' G A 7 3.087 8.711 6.352 1.00 0.00 C ATOM 200 C4' G A 7 3.567 9.097 4.952 1.00 0.00 C ATOM 201 O4' G A 7 3.560 8.060 3.983 1.00 0.00 O ATOM 202 C3' G A 7 2.788 10.280 4.383 1.00 0.00 C ATOM 203 O3' G A 7 3.294 11.490 4.924 1.00 0.00 O ATOM 204 C2' G A 7 3.130 10.126 2.923 1.00 0.00 C ATOM 205 O2' G A 7 4.393 10.751 2.736 1.00 0.00 O ATOM 206 C1' G A 7 3.184 8.602 2.724 1.00 0.00 C ATOM 207 N9 G A 7 1.843 8.100 2.330 1.00 0.00 N ATOM 208 C8 G A 7 0.803 7.843 3.174 1.00 0.00 C ATOM 209 N7 G A 7 -0.355 7.730 2.591 1.00 0.00 N ATOM 210 C5 G A 7 -0.055 7.837 1.239 1.00 0.00 C ATOM 211 C6 G A 7 -0.928 7.848 0.102 1.00 0.00 C ATOM 212 O6 G A 7 -2.160 7.829 0.057 1.00 0.00 O ATOM 213 N1 G A 7 -0.238 7.968 -1.089 1.00 0.00 N ATOM 214 C2 G A 7 1.114 8.149 -1.192 1.00 0.00 C ATOM 215 N2 G A 7 1.595 8.393 -2.403 1.00 0.00 N ATOM 216 N3 G A 7 1.944 8.181 -0.136 1.00 0.00 N ATOM 217 C4 G A 7 1.300 8.019 1.061 1.00 0.00 C ATOM 0 H5' G A 7 3.909 8.229 6.882 1.00 0.00 H new ATOM 0 H5'' G A 7 2.845 9.621 6.900 1.00 0.00 H new ATOM 0 H4' G A 7 4.610 9.359 5.128 1.00 0.00 H new ATOM 0 H3' G A 7 1.719 10.304 4.593 1.00 0.00 H new ATOM 0 H2' G A 7 2.433 10.575 2.215 1.00 0.00 H new ATOM 0 HO2' G A 7 4.465 11.073 1.813 1.00 0.00 H new ATOM 0 H1' G A 7 3.887 8.318 1.941 1.00 0.00 H new ATOM 0 H8 G A 7 0.930 7.741 4.242 1.00 0.00 H new ATOM 0 H1 G A 7 -0.776 7.918 -1.954 1.00 0.00 H new ATOM 0 H21 G A 7 2.596 8.536 -2.535 1.00 0.00 H new ATOM 0 H22 G A 7 0.964 8.438 -3.203 1.00 0.00 H new ATOM 229 P C A 8 2.542 12.893 4.856 1.00 0.00 P ATOM 230 OP1 C A 8 3.407 13.816 5.622 1.00 0.00 O ATOM 231 OP2 C A 8 1.118 12.756 5.214 1.00 0.00 O ATOM 232 O5' C A 8 2.596 13.377 3.350 1.00 0.00 O ATOM 233 C5' C A 8 2.504 14.770 3.091 1.00 0.00 C ATOM 234 C4' C A 8 2.054 15.083 1.668 1.00 0.00 C ATOM 235 O4' C A 8 3.049 14.695 0.745 1.00 0.00 O ATOM 236 C3' C A 8 0.772 14.356 1.256 1.00 0.00 C ATOM 237 O3' C A 8 -0.400 15.020 1.718 1.00 0.00 O ATOM 238 C2' C A 8 0.920 14.381 -0.263 1.00 0.00 C ATOM 239 O2' C A 8 0.421 15.589 -0.793 1.00 0.00 O ATOM 240 C1' C A 8 2.437 14.314 -0.474 1.00 0.00 C ATOM 241 N1 C A 8 2.899 12.966 -0.864 1.00 0.00 N ATOM 242 C2 C A 8 3.327 12.774 -2.178 1.00 0.00 C ATOM 243 O2 C A 8 3.225 13.648 -3.044 1.00 0.00 O ATOM 244 N3 C A 8 3.878 11.579 -2.529 1.00 0.00 N ATOM 245 C4 C A 8 3.927 10.575 -1.651 1.00 0.00 C ATOM 246 N4 C A 8 4.420 9.418 -2.078 1.00 0.00 N ATOM 247 C5 C A 8 3.492 10.742 -0.302 1.00 0.00 C ATOM 248 C6 C A 8 2.977 11.942 0.048 1.00 0.00 C ATOM 0 H5' C A 8 3.475 15.232 3.269 1.00 0.00 H new ATOM 0 H5'' C A 8 1.803 15.219 3.795 1.00 0.00 H new ATOM 0 H4' C A 8 1.871 16.158 1.657 1.00 0.00 H new ATOM 0 H3' C A 8 0.655 13.357 1.675 1.00 0.00 H new ATOM 0 H2' C A 8 0.374 13.574 -0.751 1.00 0.00 H new ATOM 0 HO2' C A 8 -0.266 15.950 -0.194 1.00 0.00 H new ATOM 0 HO3' C A 8 -1.193 14.522 1.430 1.00 0.00 H new ATOM 0 H1' C A 8 2.709 14.982 -1.291 1.00 0.00 H new ATOM 0 H41 C A 8 4.477 8.622 -1.442 1.00 0.00 H new ATOM 0 H42 C A 8 4.741 9.325 -3.042 1.00 0.00 H new ATOM 0 H5 C A 8 3.571 9.938 0.414 1.00 0.00 H new ATOM 0 H6 C A 8 2.623 12.097 1.056 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.841 9.251 -6.131 1.00 0.00 O ATOM 263 C5' G B 101 -8.943 9.892 -5.247 1.00 0.00 C ATOM 264 C4' G B 101 -7.729 10.458 -6.000 1.00 0.00 C ATOM 265 O4' G B 101 -6.980 11.301 -5.129 1.00 0.00 O ATOM 266 C3' G B 101 -6.774 9.363 -6.503 1.00 0.00 C ATOM 267 O3' G B 101 -6.758 9.217 -7.915 1.00 0.00 O ATOM 268 C2' G B 101 -5.412 9.861 -6.022 1.00 0.00 C ATOM 269 O2' G B 101 -4.921 10.722 -7.030 1.00 0.00 O ATOM 270 C1' G B 101 -5.766 10.648 -4.770 1.00 0.00 C ATOM 271 N9 G B 101 -5.938 9.801 -3.554 1.00 0.00 N ATOM 272 C8 G B 101 -6.069 8.435 -3.433 1.00 0.00 C ATOM 273 N7 G B 101 -6.218 8.019 -2.207 1.00 0.00 N ATOM 274 C5 G B 101 -6.128 9.173 -1.442 1.00 0.00 C ATOM 275 C6 G B 101 -6.217 9.354 -0.023 1.00 0.00 C ATOM 276 O6 G B 101 -6.491 8.525 0.847 1.00 0.00 O ATOM 277 N1 G B 101 -5.983 10.666 0.365 1.00 0.00 N ATOM 278 C2 G B 101 -5.769 11.696 -0.524 1.00 0.00 C ATOM 279 N2 G B 101 -5.625 12.913 -0.036 1.00 0.00 N ATOM 280 N3 G B 101 -5.770 11.562 -1.857 1.00 0.00 N ATOM 281 C4 G B 101 -5.927 10.266 -2.258 1.00 0.00 C ATOM 0 H5' G B 101 -8.606 9.184 -4.490 1.00 0.00 H new ATOM 0 H5'' G B 101 -9.457 10.698 -4.723 1.00 0.00 H new ATOM 0 H4' G B 101 -8.125 11.000 -6.859 1.00 0.00 H new ATOM 0 H3' G B 101 -7.070 8.381 -6.133 1.00 0.00 H new ATOM 0 H2' G B 101 -4.665 9.092 -5.825 1.00 0.00 H new ATOM 0 HO2' G B 101 -4.076 10.369 -7.379 1.00 0.00 H new ATOM 0 HO5' G B 101 -10.603 8.899 -5.625 1.00 0.00 H new ATOM 0 H1' G B 101 -4.965 11.331 -4.486 1.00 0.00 H new ATOM 0 H8 G B 101 -6.050 7.766 -4.281 1.00 0.00 H new ATOM 0 H1 G B 101 -5.969 10.879 1.362 1.00 0.00 H new ATOM 0 H21 G B 101 -5.465 13.699 -0.666 1.00 0.00 H new ATOM 0 H22 G B 101 -5.674 13.068 0.971 1.00 0.00 H new ATOM 294 P C B 102 -6.180 7.896 -8.594 1.00 0.00 P ATOM 295 OP1 C B 102 -6.598 7.958 -10.003 1.00 0.00 O ATOM 296 OP2 C B 102 -6.548 6.722 -7.784 1.00 0.00 O ATOM 297 O5' C B 102 -4.610 8.066 -8.505 1.00 0.00 O ATOM 298 C5' C B 102 -3.846 8.507 -9.606 1.00 0.00 C ATOM 299 C4' C B 102 -2.395 8.724 -9.189 1.00 0.00 C ATOM 300 O4' C B 102 -2.316 9.429 -7.955 1.00 0.00 O ATOM 301 C3' C B 102 -1.606 7.427 -9.028 1.00 0.00 C ATOM 302 O3' C B 102 -1.029 6.998 -10.252 1.00 0.00 O ATOM 303 C2' C B 102 -0.536 7.900 -8.059 1.00 0.00 C ATOM 304 O2' C B 102 0.437 8.561 -8.838 1.00 0.00 O ATOM 305 C1' C B 102 -1.284 8.866 -7.151 1.00 0.00 C ATOM 306 N1 C B 102 -1.815 8.219 -5.908 1.00 0.00 N ATOM 307 C2 C B 102 -1.230 8.563 -4.684 1.00 0.00 C ATOM 308 O2 C B 102 -0.217 9.263 -4.605 1.00 0.00 O ATOM 309 N3 C B 102 -1.773 8.112 -3.519 1.00 0.00 N ATOM 310 C4 C B 102 -2.794 7.248 -3.537 1.00 0.00 C ATOM 311 N4 C B 102 -3.247 6.812 -2.375 1.00 0.00 N ATOM 312 C5 C B 102 -3.379 6.823 -4.769 1.00 0.00 C ATOM 313 C6 C B 102 -2.863 7.323 -5.919 1.00 0.00 C ATOM 0 H5' C B 102 -4.262 9.435 -9.998 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.895 7.772 -10.409 1.00 0.00 H new ATOM 0 H4' C B 102 -1.954 9.301 -10.002 1.00 0.00 H new ATOM 0 H3' C B 102 -2.197 6.572 -8.700 1.00 0.00 H new ATOM 0 H2' C B 102 -0.040 7.124 -7.477 1.00 0.00 H new ATOM 0 HO2' C B 102 0.321 8.319 -9.781 1.00 0.00 H new ATOM 0 H1' C B 102 -0.611 9.635 -6.771 1.00 0.00 H new ATOM 0 H41 C B 102 -4.024 6.152 -2.346 1.00 0.00 H new ATOM 0 H42 C B 102 -2.819 7.135 -1.507 1.00 0.00 H new ATOM 0 H5 C B 102 -4.205 6.127 -4.784 1.00 0.00 H new ATOM 0 H6 C B 102 -3.282 7.013 -6.865 1.00 0.00 H new ATOM 325 P C B 103 -0.476 5.516 -10.450 1.00 0.00 P ATOM 326 OP1 C B 103 -0.122 5.410 -11.876 1.00 0.00 O ATOM 327 OP2 C B 103 -1.469 4.573 -9.900 1.00 0.00 O ATOM 328 O5' C B 103 0.823 5.400 -9.538 1.00 0.00 O ATOM 329 C5' C B 103 2.118 5.764 -9.975 1.00 0.00 C ATOM 330 C4' C B 103 3.088 5.789 -8.779 1.00 0.00 C ATOM 331 O4' C B 103 2.576 6.590 -7.713 1.00 0.00 O ATOM 332 C3' C B 103 3.437 4.432 -8.155 1.00 0.00 C ATOM 333 O3' C B 103 4.484 3.738 -8.816 1.00 0.00 O ATOM 334 C2' C B 103 3.940 4.909 -6.794 1.00 0.00 C ATOM 335 O2' C B 103 5.243 5.450 -6.944 1.00 0.00 O ATOM 336 C1' C B 103 2.968 6.034 -6.455 1.00 0.00 C ATOM 337 N1 C B 103 1.821 5.524 -5.645 1.00 0.00 N ATOM 338 C2 C B 103 1.939 5.539 -4.249 1.00 0.00 C ATOM 339 O2 C B 103 2.980 5.894 -3.688 1.00 0.00 O ATOM 340 N3 C B 103 0.872 5.175 -3.483 1.00 0.00 N ATOM 341 C4 C B 103 -0.273 4.786 -4.058 1.00 0.00 C ATOM 342 N4 C B 103 -1.290 4.440 -3.295 1.00 0.00 N ATOM 343 C5 C B 103 -0.432 4.771 -5.474 1.00 0.00 C ATOM 344 C6 C B 103 0.638 5.120 -6.222 1.00 0.00 C ATOM 0 H5' C B 103 2.088 6.744 -10.451 1.00 0.00 H new ATOM 0 H5'' C B 103 2.470 5.056 -10.725 1.00 0.00 H new ATOM 0 H4' C B 103 3.995 6.194 -9.228 1.00 0.00 H new ATOM 0 H3' C B 103 2.604 3.729 -8.173 1.00 0.00 H new ATOM 0 H2' C B 103 3.987 4.123 -6.040 1.00 0.00 H new ATOM 0 HO2' C B 103 5.712 4.978 -7.663 1.00 0.00 H new ATOM 0 H1' C B 103 3.419 6.805 -5.830 1.00 0.00 H new ATOM 0 H41 C B 103 -2.168 4.142 -3.720 1.00 0.00 H new ATOM 0 H42 C B 103 -1.199 4.470 -2.280 1.00 0.00 H new ATOM 0 H5 C B 103 -1.370 4.492 -5.931 1.00 0.00 H new ATOM 0 H6 C B 103 0.563 5.081 -7.299 1.00 0.00 H new ATOM 356 P A B 104 4.734 2.184 -8.548 1.00 0.00 P ATOM 357 OP1 A B 104 5.867 1.797 -9.412 1.00 0.00 O ATOM 358 OP2 A B 104 3.445 1.486 -8.699 1.00 0.00 O ATOM 359 O5' A B 104 5.189 2.008 -7.028 1.00 0.00 O ATOM 360 C5' A B 104 6.532 2.248 -6.645 1.00 0.00 C ATOM 361 C4' A B 104 6.731 2.286 -5.130 1.00 0.00 C ATOM 362 O4' A B 104 5.774 3.119 -4.498 1.00 0.00 O ATOM 363 C3' A B 104 6.697 0.928 -4.435 1.00 0.00 C ATOM 364 O3' A B 104 7.998 0.345 -4.417 1.00 0.00 O ATOM 365 C2' A B 104 6.289 1.354 -3.027 1.00 0.00 C ATOM 366 O2' A B 104 7.460 1.766 -2.345 1.00 0.00 O ATOM 367 C1' A B 104 5.365 2.548 -3.258 1.00 0.00 C ATOM 368 N9 A B 104 3.934 2.160 -3.286 1.00 0.00 N ATOM 369 C8 A B 104 3.086 2.037 -4.359 1.00 0.00 C ATOM 370 N7 A B 104 1.837 1.815 -4.041 1.00 0.00 N ATOM 371 C5 A B 104 1.874 1.730 -2.651 1.00 0.00 C ATOM 372 C6 A B 104 0.879 1.536 -1.665 1.00 0.00 C ATOM 373 N6 A B 104 -0.414 1.414 -1.952 1.00 0.00 N ATOM 374 N1 A B 104 1.242 1.502 -0.374 1.00 0.00 N ATOM 375 C2 A B 104 2.527 1.646 -0.061 1.00 0.00 C ATOM 376 N3 A B 104 3.560 1.847 -0.879 1.00 0.00 N ATOM 377 C4 A B 104 3.159 1.879 -2.184 1.00 0.00 C ATOM 0 H5' A B 104 6.860 3.196 -7.071 1.00 0.00 H new ATOM 0 H5'' A B 104 7.168 1.471 -7.069 1.00 0.00 H new ATOM 0 H4' A B 104 7.740 2.685 -5.021 1.00 0.00 H new ATOM 0 H3' A B 104 6.047 0.188 -4.902 1.00 0.00 H new ATOM 0 H2' A B 104 5.806 0.571 -2.443 1.00 0.00 H new ATOM 0 HO2' A B 104 8.226 1.246 -2.667 1.00 0.00 H new ATOM 0 H1' A B 104 5.446 3.262 -2.438 1.00 0.00 H new ATOM 0 H8 A B 104 3.423 2.117 -5.382 1.00 0.00 H new ATOM 0 H61 A B 104 -1.092 1.275 -1.203 1.00 0.00 H new ATOM 0 H62 A B 104 -0.728 1.459 -2.922 1.00 0.00 H new ATOM 0 H2 A B 104 2.764 1.593 0.991 1.00 0.00 H new ATOM 389 P DC B 105 8.210 -1.230 -4.344 1.00 0.00 P ATOM 390 OP1 DC B 105 9.668 -1.456 -4.193 1.00 0.00 O ATOM 391 OP2 DC B 105 7.511 -1.836 -5.497 1.00 0.00 O ATOM 392 O5' DC B 105 7.469 -1.640 -2.995 1.00 0.00 O ATOM 393 C5' DC B 105 8.179 -1.662 -1.771 1.00 0.00 C ATOM 394 C4' DC B 105 7.304 -1.788 -0.529 1.00 0.00 C ATOM 395 O4' DC B 105 6.243 -0.849 -0.566 1.00 0.00 O ATOM 396 C3' DC B 105 6.686 -3.170 -0.335 1.00 0.00 C ATOM 397 O3' DC B 105 7.589 -4.072 0.288 1.00 0.00 O ATOM 398 C2' DC B 105 5.547 -2.777 0.591 1.00 0.00 C ATOM 399 C1' DC B 105 5.104 -1.413 0.071 1.00 0.00 C ATOM 400 N1 DC B 105 3.941 -1.558 -0.848 1.00 0.00 N ATOM 401 C2 DC B 105 2.683 -1.738 -0.269 1.00 0.00 C ATOM 402 O2 DC B 105 2.548 -1.839 0.956 1.00 0.00 O ATOM 403 N3 DC B 105 1.582 -1.839 -1.062 1.00 0.00 N ATOM 404 C4 DC B 105 1.702 -1.786 -2.394 1.00 0.00 C ATOM 405 N4 DC B 105 0.590 -1.866 -3.109 1.00 0.00 N ATOM 406 C5 DC B 105 2.986 -1.662 -3.022 1.00 0.00 C ATOM 407 C6 DC B 105 4.075 -1.554 -2.216 1.00 0.00 C ATOM 0 H5' DC B 105 8.769 -0.749 -1.692 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.882 -2.495 -1.789 1.00 0.00 H new ATOM 0 H4' DC B 105 7.981 -1.601 0.305 1.00 0.00 H new ATOM 0 H3' DC B 105 6.398 -3.694 -1.247 1.00 0.00 H new ATOM 0 H2' DC B 105 4.734 -3.502 0.554 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.877 -2.721 1.628 1.00 0.00 H new ATOM 0 H1' DC B 105 4.761 -0.756 0.871 1.00 0.00 H new ATOM 0 H41 DC B 105 0.635 -1.830 -4.127 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.311 -1.964 -2.641 1.00 0.00 H new ATOM 0 H5 DC B 105 3.084 -1.655 -4.098 1.00 0.00 H new ATOM 0 H6 DC B 105 5.057 -1.464 -2.656 1.00 0.00 H new ATOM 419 P DT B 106 7.297 -5.635 0.431 1.00 0.00 P ATOM 420 OP1 DT B 106 8.396 -6.205 1.243 1.00 0.00 O ATOM 421 OP2 DT B 106 7.019 -6.217 -0.901 1.00 0.00 O ATOM 422 O5' DT B 106 5.955 -5.811 1.273 1.00 0.00 O ATOM 423 C5' DT B 106 5.894 -5.522 2.660 1.00 0.00 C ATOM 424 C4' DT B 106 4.471 -5.622 3.215 1.00 0.00 C ATOM 425 O4' DT B 106 3.606 -4.739 2.520 1.00 0.00 O ATOM 426 C3' DT B 106 3.838 -7.015 3.170 1.00 0.00 C ATOM 427 O3' DT B 106 4.079 -7.748 4.362 1.00 0.00 O ATOM 428 C2' DT B 106 2.361 -6.664 3.084 1.00 0.00 C ATOM 429 C1' DT B 106 2.315 -5.321 2.382 1.00 0.00 C ATOM 430 N1 DT B 106 1.908 -5.477 0.963 1.00 0.00 N ATOM 431 C2 DT B 106 0.548 -5.633 0.690 1.00 0.00 C ATOM 432 O2 DT B 106 -0.295 -5.843 1.564 1.00 0.00 O ATOM 433 N3 DT B 106 0.178 -5.546 -0.632 1.00 0.00 N ATOM 434 C4 DT B 106 1.027 -5.409 -1.708 1.00 0.00 C ATOM 435 O4 DT B 106 0.552 -5.392 -2.842 1.00 0.00 O ATOM 436 C5 DT B 106 2.441 -5.377 -1.354 1.00 0.00 C ATOM 437 C7 DT B 106 3.491 -5.308 -2.439 1.00 0.00 C ATOM 438 C6 DT B 106 2.828 -5.429 -0.054 1.00 0.00 C ATOM 0 H5' DT B 106 6.280 -4.518 2.836 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.541 -6.212 3.201 1.00 0.00 H new ATOM 0 H4' DT B 106 4.583 -5.357 4.266 1.00 0.00 H new ATOM 0 H3' DT B 106 4.224 -7.636 2.362 1.00 0.00 H new ATOM 0 H2' DT B 106 1.808 -7.420 2.526 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.911 -6.607 4.075 1.00 0.00 H new ATOM 0 H1' DT B 106 1.567 -4.665 2.828 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.821 -5.587 -0.835 1.00 0.00 H new ATOM 0 H71 DT B 106 4.367 -4.779 -2.064 1.00 0.00 H new ATOM 0 H72 DT B 106 3.776 -6.318 -2.735 1.00 0.00 H new ATOM 0 H73 DT B 106 3.088 -4.777 -3.302 1.00 0.00 H new ATOM 0 H6 DT B 106 3.881 -5.433 0.185 1.00 0.00 H new ATOM 451 P DG B 107 3.677 -9.296 4.497 1.00 0.00 P ATOM 452 OP1 DG B 107 4.227 -9.786 5.777 1.00 0.00 O ATOM 453 OP2 DG B 107 4.024 -10.014 3.261 1.00 0.00 O ATOM 454 O5' DG B 107 2.088 -9.372 4.635 1.00 0.00 O ATOM 455 C5' DG B 107 1.422 -8.867 5.783 1.00 0.00 C ATOM 456 C4' DG B 107 -0.105 -8.961 5.674 1.00 0.00 C ATOM 457 O4' DG B 107 -0.528 -8.389 4.442 1.00 0.00 O ATOM 458 C3' DG B 107 -0.627 -10.405 5.733 1.00 0.00 C ATOM 459 O3' DG B 107 -1.848 -10.436 6.473 1.00 0.00 O ATOM 460 C2' DG B 107 -0.839 -10.710 4.258 1.00 0.00 C ATOM 461 C1' DG B 107 -1.274 -9.351 3.719 1.00 0.00 C ATOM 462 N9 DG B 107 -1.047 -9.239 2.267 1.00 0.00 N ATOM 463 C8 DG B 107 0.138 -9.320 1.584 1.00 0.00 C ATOM 464 N7 DG B 107 0.017 -9.178 0.289 1.00 0.00 N ATOM 465 C5 DG B 107 -1.359 -9.021 0.105 1.00 0.00 C ATOM 466 C6 DG B 107 -2.124 -8.851 -1.095 1.00 0.00 C ATOM 467 O6 DG B 107 -1.712 -8.725 -2.247 1.00 0.00 O ATOM 468 N1 DG B 107 -3.494 -8.846 -0.869 1.00 0.00 N ATOM 469 C2 DG B 107 -4.076 -8.927 0.372 1.00 0.00 C ATOM 470 N2 DG B 107 -5.394 -9.055 0.449 1.00 0.00 N ATOM 471 N3 DG B 107 -3.377 -9.076 1.512 1.00 0.00 N ATOM 472 C4 DG B 107 -2.022 -9.101 1.308 1.00 0.00 C ATOM 0 H5' DG B 107 1.707 -7.826 5.934 1.00 0.00 H new ATOM 0 H5'' DG B 107 1.754 -9.419 6.662 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.511 -8.422 6.530 1.00 0.00 H new ATOM 0 H3' DG B 107 0.029 -11.124 6.224 1.00 0.00 H new ATOM 0 H2' DG B 107 0.073 -11.067 3.779 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.601 -11.474 4.104 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.345 -9.201 3.853 1.00 0.00 H new ATOM 0 H8 DG B 107 1.087 -9.486 2.071 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.110 -8.778 -1.679 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.848 -9.117 1.360 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.953 -9.091 -0.403 1.00 0.00 H new ATOM 484 P DC B 108 -2.478 -11.801 7.047 1.00 0.00 P ATOM 485 OP1 DC B 108 -3.518 -11.470 8.045 1.00 0.00 O ATOM 486 OP2 DC B 108 -1.392 -12.703 7.471 1.00 0.00 O ATOM 487 O5' DC B 108 -3.211 -12.516 5.818 1.00 0.00 O ATOM 488 C5' DC B 108 -4.515 -12.130 5.407 1.00 0.00 C ATOM 489 C4' DC B 108 -5.305 -13.301 4.803 1.00 0.00 C ATOM 490 O4' DC B 108 -4.879 -13.565 3.479 1.00 0.00 O ATOM 491 C3' DC B 108 -5.121 -14.615 5.567 1.00 0.00 C ATOM 492 O3' DC B 108 -6.311 -15.385 5.570 1.00 0.00 O ATOM 493 C2' DC B 108 -4.035 -15.331 4.780 1.00 0.00 C ATOM 494 C1' DC B 108 -4.366 -14.887 3.366 1.00 0.00 C ATOM 495 N1 DC B 108 -3.183 -14.930 2.475 1.00 0.00 N ATOM 496 C2 DC B 108 -3.003 -16.046 1.661 1.00 0.00 C ATOM 497 O2 DC B 108 -3.649 -17.079 1.842 1.00 0.00 O ATOM 498 N3 DC B 108 -2.116 -15.984 0.625 1.00 0.00 N ATOM 499 C4 DC B 108 -1.359 -14.890 0.469 1.00 0.00 C ATOM 500 N4 DC B 108 -0.648 -14.818 -0.639 1.00 0.00 N ATOM 501 C5 DC B 108 -1.430 -13.776 1.371 1.00 0.00 C ATOM 502 C6 DC B 108 -2.357 -13.845 2.361 1.00 0.00 C ATOM 0 H5' DC B 108 -4.440 -11.328 4.673 1.00 0.00 H new ATOM 0 H5'' DC B 108 -5.060 -11.729 6.262 1.00 0.00 H new ATOM 0 H4' DC B 108 -6.347 -12.986 4.851 1.00 0.00 H new ATOM 0 H3' DC B 108 -4.868 -14.454 6.615 1.00 0.00 H new ATOM 0 H2' DC B 108 -3.034 -15.025 5.085 1.00 0.00 H new ATOM 0 H2'' DC B 108 -4.087 -16.414 4.896 1.00 0.00 H new ATOM 0 HO3' DC B 108 -6.160 -16.218 6.064 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.093 -15.561 2.912 1.00 0.00 H new ATOM 0 H41 DC B 108 -0.053 -14.008 -0.811 1.00 0.00 H new ATOM 0 H42 DC B 108 -0.693 -15.573 -1.324 1.00 0.00 H new ATOM 0 H5 DC B 108 -0.777 -12.922 1.267 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.443 -13.033 3.068 1.00 0.00 H new TER 515 DC B 108