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 -32:sc= 0.468 USER MOD Single : A 1 G O5' : rot -30:sc= 0.0762 USER MOD Single : A 2 C O2' : rot -23:sc= 0.169 USER MOD Single : A 3 A O2' : rot -18:sc= 0.235 USER MOD Single : A 4 G O2' : rot -22:sc= 0.456 USER MOD Single : A 5 U O2' : rot -13:sc= -0.026 USER MOD Single : A 6 G O2' : rot -69:sc= 0.79 USER MOD Single : A 7 G O2' : rot -17:sc= 0.251 USER MOD Single : A 8 C O2' : rot -21:sc= 0.203 USER MOD Single : A 8 C O3' : rot -146:sc= 1.47 USER MOD Single : B 101 G O2' : rot -116:sc= 1.23 USER MOD Single : B 101 G O5' : rot -27:sc= 0.0225 USER MOD Single : B 102 C O2' : rot -22:sc= 0.316 USER MOD Single : B 103 C O2' : rot -124:sc= 1.16 USER MOD Single : B 104 A O2' : rot -20:sc= 0.165 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 -4.649 -13.571 -10.292 1.00 0.00 O ATOM 2 C5' G A 1 -5.341 -12.342 -10.148 1.00 0.00 C ATOM 3 C4' G A 1 -6.652 -12.494 -9.370 1.00 0.00 C ATOM 4 O4' G A 1 -6.460 -13.339 -8.244 1.00 0.00 O ATOM 5 C3' G A 1 -7.152 -11.132 -8.857 1.00 0.00 C ATOM 6 O3' G A 1 -8.051 -10.507 -9.772 1.00 0.00 O ATOM 7 C2' G A 1 -7.940 -11.600 -7.632 1.00 0.00 C ATOM 8 O2' G A 1 -9.234 -11.956 -8.100 1.00 0.00 O ATOM 9 C1' G A 1 -7.177 -12.828 -7.135 1.00 0.00 C ATOM 10 N9 G A 1 -6.238 -12.503 -6.035 1.00 0.00 N ATOM 11 C8 G A 1 -4.870 -12.401 -6.064 1.00 0.00 C ATOM 12 N7 G A 1 -4.321 -12.261 -4.887 1.00 0.00 N ATOM 13 C5 G A 1 -5.401 -12.249 -4.008 1.00 0.00 C ATOM 14 C6 G A 1 -5.433 -12.127 -2.579 1.00 0.00 C ATOM 15 O6 G A 1 -4.492 -11.998 -1.791 1.00 0.00 O ATOM 16 N1 G A 1 -6.729 -12.174 -2.080 1.00 0.00 N ATOM 17 C2 G A 1 -7.858 -12.319 -2.858 1.00 0.00 C ATOM 18 N2 G A 1 -9.037 -12.345 -2.252 1.00 0.00 N ATOM 19 N3 G A 1 -7.847 -12.429 -4.195 1.00 0.00 N ATOM 20 C4 G A 1 -6.582 -12.388 -4.710 1.00 0.00 C ATOM 0 H5' G A 1 -5.554 -11.931 -11.135 1.00 0.00 H new ATOM 0 H5'' G A 1 -4.699 -11.625 -9.636 1.00 0.00 H new ATOM 0 H4' G A 1 -7.386 -12.924 -10.051 1.00 0.00 H new ATOM 0 H3' G A 1 -6.359 -10.404 -8.689 1.00 0.00 H new ATOM 0 H2' G A 1 -8.042 -10.861 -6.837 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.475 -11.387 -8.860 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.841 -14.147 -9.523 1.00 0.00 H new ATOM 0 H1' G A 1 -7.882 -13.556 -6.732 1.00 0.00 H new ATOM 0 H8 G A 1 -4.298 -12.434 -6.979 1.00 0.00 H new ATOM 0 H1 G A 1 -6.853 -12.096 -1.071 1.00 0.00 H new ATOM 0 H21 G A 1 -9.890 -12.451 -2.801 1.00 0.00 H new ATOM 0 H22 G A 1 -9.091 -12.259 -1.237 1.00 0.00 H new ATOM 33 P C A 2 -8.419 -8.950 -9.688 1.00 0.00 P ATOM 34 OP1 C A 2 -9.626 -8.798 -10.528 1.00 0.00 O ATOM 35 OP2 C A 2 -7.199 -8.196 -10.043 1.00 0.00 O ATOM 36 O5' C A 2 -8.797 -8.606 -8.166 1.00 0.00 O ATOM 37 C5' C A 2 -10.121 -8.700 -7.661 1.00 0.00 C ATOM 38 C4' C A 2 -10.200 -8.553 -6.126 1.00 0.00 C ATOM 39 O4' C A 2 -9.453 -9.569 -5.439 1.00 0.00 O ATOM 40 C3' C A 2 -9.711 -7.219 -5.544 1.00 0.00 C ATOM 41 O3' C A 2 -10.641 -6.145 -5.502 1.00 0.00 O ATOM 42 C2' C A 2 -9.456 -7.653 -4.111 1.00 0.00 C ATOM 43 O2' C A 2 -10.693 -7.795 -3.423 1.00 0.00 O ATOM 44 C1' C A 2 -8.836 -9.021 -4.262 1.00 0.00 C ATOM 45 N1 C A 2 -7.345 -8.917 -4.367 1.00 0.00 N ATOM 46 C2 C A 2 -6.586 -8.901 -3.190 1.00 0.00 C ATOM 47 O2 C A 2 -7.119 -8.991 -2.077 1.00 0.00 O ATOM 48 N3 C A 2 -5.223 -8.811 -3.279 1.00 0.00 N ATOM 49 C4 C A 2 -4.621 -8.675 -4.470 1.00 0.00 C ATOM 50 N4 C A 2 -3.298 -8.581 -4.519 1.00 0.00 N ATOM 51 C5 C A 2 -5.370 -8.659 -5.683 1.00 0.00 C ATOM 52 C6 C A 2 -6.714 -8.786 -5.580 1.00 0.00 C ATOM 0 H5' C A 2 -10.545 -9.662 -7.949 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.735 -7.929 -8.125 1.00 0.00 H new ATOM 0 H4' C A 2 -11.274 -8.633 -5.961 1.00 0.00 H new ATOM 0 H3' C A 2 -8.896 -6.815 -6.145 1.00 0.00 H new ATOM 0 H2' C A 2 -8.839 -6.944 -3.560 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.378 -7.253 -3.867 1.00 0.00 H new ATOM 0 H1' C A 2 -9.005 -9.669 -3.402 1.00 0.00 H new ATOM 0 H41 C A 2 -2.827 -8.477 -5.418 1.00 0.00 H new ATOM 0 H42 C A 2 -2.752 -8.613 -3.658 1.00 0.00 H new ATOM 0 H5 C A 2 -4.886 -8.550 -6.642 1.00 0.00 H new ATOM 0 H6 C A 2 -7.309 -8.784 -6.481 1.00 0.00 H new ATOM 64 P A A 3 -10.143 -4.661 -5.130 1.00 0.00 P ATOM 65 OP1 A A 3 -11.311 -3.772 -5.142 1.00 0.00 O ATOM 66 OP2 A A 3 -8.997 -4.370 -6.025 1.00 0.00 O ATOM 67 O5' A A 3 -9.576 -4.694 -3.632 1.00 0.00 O ATOM 68 C5' A A 3 -10.443 -4.732 -2.501 1.00 0.00 C ATOM 69 C4' A A 3 -9.749 -5.183 -1.201 1.00 0.00 C ATOM 70 O4' A A 3 -8.771 -6.186 -1.408 1.00 0.00 O ATOM 71 C3' A A 3 -9.096 -4.049 -0.391 1.00 0.00 C ATOM 72 O3' A A 3 -10.013 -3.448 0.525 1.00 0.00 O ATOM 73 C2' A A 3 -8.027 -4.829 0.381 1.00 0.00 C ATOM 74 O2' A A 3 -8.554 -5.397 1.568 1.00 0.00 O ATOM 75 C1' A A 3 -7.644 -5.944 -0.583 1.00 0.00 C ATOM 76 N9 A A 3 -6.478 -5.596 -1.424 1.00 0.00 N ATOM 77 C8 A A 3 -6.414 -5.367 -2.778 1.00 0.00 C ATOM 78 N7 A A 3 -5.205 -5.364 -3.278 1.00 0.00 N ATOM 79 C5 A A 3 -4.420 -5.591 -2.157 1.00 0.00 C ATOM 80 C6 A A 3 -3.036 -5.753 -1.993 1.00 0.00 C ATOM 81 N6 A A 3 -2.206 -5.778 -3.035 1.00 0.00 N ATOM 82 N1 A A 3 -2.532 -5.901 -0.762 1.00 0.00 N ATOM 83 C2 A A 3 -3.373 -5.939 0.274 1.00 0.00 C ATOM 84 N3 A A 3 -4.701 -5.849 0.253 1.00 0.00 N ATOM 85 C4 A A 3 -5.172 -5.670 -1.014 1.00 0.00 C ATOM 0 H5' A A 3 -11.272 -5.407 -2.713 1.00 0.00 H new ATOM 0 H5'' A A 3 -10.870 -3.741 -2.349 1.00 0.00 H new ATOM 0 H4' A A 3 -10.580 -5.585 -0.621 1.00 0.00 H new ATOM 0 H3' A A 3 -8.729 -3.228 -1.007 1.00 0.00 H new ATOM 0 H2' A A 3 -7.195 -4.194 0.686 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.395 -4.950 1.799 1.00 0.00 H new ATOM 0 H1' A A 3 -7.358 -6.826 -0.010 1.00 0.00 H new ATOM 0 H8 A A 3 -7.294 -5.202 -3.382 1.00 0.00 H new ATOM 0 H61 A A 3 -1.204 -5.897 -2.886 1.00 0.00 H new ATOM 0 H62 A A 3 -2.573 -5.678 -3.982 1.00 0.00 H new ATOM 0 H2 A A 3 -2.921 -6.057 1.248 1.00 0.00 H new ATOM 97 P G A 4 -9.729 -2.043 1.229 1.00 0.00 P ATOM 98 OP1 G A 4 -10.820 -1.849 2.208 1.00 0.00 O ATOM 99 OP2 G A 4 -9.531 -1.012 0.183 1.00 0.00 O ATOM 100 O5' G A 4 -8.363 -2.215 2.056 1.00 0.00 O ATOM 101 C5' G A 4 -8.362 -2.410 3.464 1.00 0.00 C ATOM 102 C4' G A 4 -7.034 -2.900 4.063 1.00 0.00 C ATOM 103 O4' G A 4 -6.350 -3.760 3.165 1.00 0.00 O ATOM 104 C3' G A 4 -6.054 -1.814 4.537 1.00 0.00 C ATOM 105 O3' G A 4 -6.250 -1.525 5.919 1.00 0.00 O ATOM 106 C2' G A 4 -4.726 -2.551 4.380 1.00 0.00 C ATOM 107 O2' G A 4 -4.531 -3.313 5.558 1.00 0.00 O ATOM 108 C1' G A 4 -4.962 -3.454 3.177 1.00 0.00 C ATOM 109 N9 G A 4 -4.544 -2.800 1.917 1.00 0.00 N ATOM 110 C8 G A 4 -5.310 -2.246 0.928 1.00 0.00 C ATOM 111 N7 G A 4 -4.643 -1.918 -0.146 1.00 0.00 N ATOM 112 C5 G A 4 -3.318 -2.193 0.187 1.00 0.00 C ATOM 113 C6 G A 4 -2.107 -2.006 -0.561 1.00 0.00 C ATOM 114 O6 G A 4 -1.981 -1.629 -1.733 1.00 0.00 O ATOM 115 N1 G A 4 -0.971 -2.312 0.185 1.00 0.00 N ATOM 116 C2 G A 4 -1.007 -2.788 1.484 1.00 0.00 C ATOM 117 N2 G A 4 0.119 -2.931 2.164 1.00 0.00 N ATOM 118 N3 G A 4 -2.133 -3.048 2.164 1.00 0.00 N ATOM 119 C4 G A 4 -3.252 -2.705 1.465 1.00 0.00 C ATOM 0 H5' G A 4 -9.141 -3.130 3.714 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.632 -1.469 3.944 1.00 0.00 H new ATOM 0 H4' G A 4 -7.355 -3.427 4.961 1.00 0.00 H new ATOM 0 H3' G A 4 -6.145 -0.869 4.002 1.00 0.00 H new ATOM 0 H2' G A 4 -3.853 -1.913 4.238 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.067 -2.934 6.285 1.00 0.00 H new ATOM 0 H1' G A 4 -4.365 -4.362 3.254 1.00 0.00 H new ATOM 0 H8 G A 4 -6.375 -2.093 1.027 1.00 0.00 H new ATOM 0 H1 G A 4 -0.059 -2.177 -0.252 1.00 0.00 H new ATOM 0 H21 G A 4 0.095 -3.282 3.122 1.00 0.00 H new ATOM 0 H22 G A 4 1.011 -2.691 1.731 1.00 0.00 H new ATOM 131 P U A 5 -5.654 -0.224 6.623 1.00 0.00 P ATOM 132 OP1 U A 5 -6.128 -0.264 8.020 1.00 0.00 O ATOM 133 OP2 U A 5 -5.999 0.940 5.784 1.00 0.00 O ATOM 134 O5' U A 5 -4.073 -0.381 6.613 1.00 0.00 O ATOM 135 C5' U A 5 -3.332 -1.030 7.636 1.00 0.00 C ATOM 136 C4' U A 5 -1.832 -0.904 7.316 1.00 0.00 C ATOM 137 O4' U A 5 -1.556 -1.395 6.012 1.00 0.00 O ATOM 138 C3' U A 5 -1.354 0.551 7.359 1.00 0.00 C ATOM 139 O3' U A 5 -0.961 0.941 8.665 1.00 0.00 O ATOM 140 C2' U A 5 -0.146 0.483 6.419 1.00 0.00 C ATOM 141 O2' U A 5 1.051 0.040 7.058 1.00 0.00 O ATOM 142 C1' U A 5 -0.566 -0.575 5.401 1.00 0.00 C ATOM 143 N1 U A 5 -1.025 0.012 4.117 1.00 0.00 N ATOM 144 C2 U A 5 -0.053 0.259 3.144 1.00 0.00 C ATOM 145 O2 U A 5 1.159 0.225 3.390 1.00 0.00 O ATOM 146 N3 U A 5 -0.531 0.574 1.883 1.00 0.00 N ATOM 147 C4 U A 5 -1.860 0.755 1.537 1.00 0.00 C ATOM 148 O4 U A 5 -2.184 0.994 0.382 1.00 0.00 O ATOM 149 C5 U A 5 -2.787 0.595 2.628 1.00 0.00 C ATOM 150 C6 U A 5 -2.357 0.229 3.856 1.00 0.00 C ATOM 0 H5' U A 5 -3.617 -2.080 7.701 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.551 -0.580 8.604 1.00 0.00 H new ATOM 0 H4' U A 5 -1.310 -1.486 8.076 1.00 0.00 H new ATOM 0 H3' U A 5 -2.116 1.278 7.077 1.00 0.00 H new ATOM 0 H2' U A 5 0.085 1.468 6.014 1.00 0.00 H new ATOM 0 HO2' U A 5 0.930 0.060 8.030 1.00 0.00 H new ATOM 0 H1' U A 5 0.298 -1.181 5.128 1.00 0.00 H new ATOM 0 H3 U A 5 0.160 0.683 1.140 1.00 0.00 H new ATOM 0 H5 U A 5 -3.840 0.770 2.462 1.00 0.00 H new ATOM 0 H6 U A 5 -3.077 0.104 4.651 1.00 0.00 H new ATOM 161 P G A 6 -0.797 2.472 9.066 1.00 0.00 P ATOM 162 OP1 G A 6 0.016 2.463 10.310 1.00 0.00 O ATOM 163 OP2 G A 6 -2.166 3.019 9.120 1.00 0.00 O ATOM 164 O5' G A 6 0.016 3.174 7.883 1.00 0.00 O ATOM 165 C5' G A 6 1.423 3.196 7.920 1.00 0.00 C ATOM 166 C4' G A 6 2.089 3.827 6.700 1.00 0.00 C ATOM 167 O4' G A 6 1.900 3.078 5.513 1.00 0.00 O ATOM 168 C3' G A 6 1.597 5.240 6.416 1.00 0.00 C ATOM 169 O3' G A 6 2.162 6.160 7.344 1.00 0.00 O ATOM 170 C2' G A 6 2.185 5.357 5.009 1.00 0.00 C ATOM 171 O2' G A 6 3.530 5.808 5.042 1.00 0.00 O ATOM 172 C1' G A 6 2.078 3.959 4.411 1.00 0.00 C ATOM 173 N9 G A 6 0.954 3.894 3.450 1.00 0.00 N ATOM 174 C8 G A 6 -0.341 3.553 3.699 1.00 0.00 C ATOM 175 N7 G A 6 -1.138 3.625 2.672 1.00 0.00 N ATOM 176 C5 G A 6 -0.301 4.030 1.637 1.00 0.00 C ATOM 177 C6 G A 6 -0.584 4.254 0.250 1.00 0.00 C ATOM 178 O6 G A 6 -1.653 4.149 -0.352 1.00 0.00 O ATOM 179 N1 G A 6 0.540 4.655 -0.458 1.00 0.00 N ATOM 180 C2 G A 6 1.793 4.806 0.089 1.00 0.00 C ATOM 181 N2 G A 6 2.800 5.151 -0.707 1.00 0.00 N ATOM 182 N3 G A 6 2.075 4.622 1.391 1.00 0.00 N ATOM 183 C4 G A 6 0.984 4.217 2.111 1.00 0.00 C ATOM 0 H5' G A 6 1.785 2.173 8.025 1.00 0.00 H new ATOM 0 H5'' G A 6 1.740 3.739 8.810 1.00 0.00 H new ATOM 0 H4' G A 6 3.146 3.844 6.967 1.00 0.00 H new ATOM 0 H3' G A 6 0.528 5.439 6.495 1.00 0.00 H new ATOM 0 H2' G A 6 1.648 6.092 4.410 1.00 0.00 H new ATOM 0 HO2' G A 6 3.555 6.741 5.340 1.00 0.00 H new ATOM 0 H1' G A 6 2.967 3.682 3.845 1.00 0.00 H new ATOM 0 H8 G A 6 -0.682 3.245 4.677 1.00 0.00 H new ATOM 0 H1 G A 6 0.429 4.851 -1.453 1.00 0.00 H new ATOM 0 H21 G A 6 3.737 5.268 -0.322 1.00 0.00 H new ATOM 0 H22 G A 6 2.635 5.298 -1.703 1.00 0.00 H new ATOM 195 P G A 7 1.848 7.722 7.317 1.00 0.00 P ATOM 196 OP1 G A 7 2.612 8.323 8.430 1.00 0.00 O ATOM 197 OP2 G A 7 0.405 7.989 7.203 1.00 0.00 O ATOM 198 O5' G A 7 2.492 8.205 5.955 1.00 0.00 O ATOM 199 C5' G A 7 3.323 9.342 5.935 1.00 0.00 C ATOM 200 C4' G A 7 3.696 9.735 4.508 1.00 0.00 C ATOM 201 O4' G A 7 3.679 8.578 3.680 1.00 0.00 O ATOM 202 C3' G A 7 2.747 10.741 3.859 1.00 0.00 C ATOM 203 O3' G A 7 3.095 12.114 3.955 1.00 0.00 O ATOM 204 C2' G A 7 2.873 10.373 2.396 1.00 0.00 C ATOM 205 O2' G A 7 4.049 10.946 1.853 1.00 0.00 O ATOM 206 C1' G A 7 3.011 8.860 2.462 1.00 0.00 C ATOM 207 N9 G A 7 1.669 8.257 2.287 1.00 0.00 N ATOM 208 C8 G A 7 0.712 7.868 3.193 1.00 0.00 C ATOM 209 N7 G A 7 -0.407 7.493 2.638 1.00 0.00 N ATOM 210 C5 G A 7 -0.191 7.645 1.273 1.00 0.00 C ATOM 211 C6 G A 7 -1.063 7.439 0.155 1.00 0.00 C ATOM 212 O6 G A 7 -2.245 7.097 0.150 1.00 0.00 O ATOM 213 N1 G A 7 -0.439 7.696 -1.061 1.00 0.00 N ATOM 214 C2 G A 7 0.841 8.190 -1.190 1.00 0.00 C ATOM 215 N2 G A 7 1.254 8.556 -2.391 1.00 0.00 N ATOM 216 N3 G A 7 1.643 8.464 -0.150 1.00 0.00 N ATOM 217 C4 G A 7 1.082 8.124 1.052 1.00 0.00 C ATOM 0 H5' G A 7 4.229 9.142 6.507 1.00 0.00 H new ATOM 0 H5'' G A 7 2.815 10.174 6.422 1.00 0.00 H new ATOM 0 H4' G A 7 4.680 10.197 4.589 1.00 0.00 H new ATOM 0 H3' G A 7 1.774 10.674 4.345 1.00 0.00 H new ATOM 0 H2' G A 7 2.045 10.716 1.777 1.00 0.00 H new ATOM 0 HO2' G A 7 4.366 11.662 2.442 1.00 0.00 H new ATOM 0 H1' G A 7 3.610 8.417 1.667 1.00 0.00 H new ATOM 0 H8 G A 7 0.871 7.872 4.261 1.00 0.00 H new ATOM 0 H1 G A 7 -0.964 7.506 -1.915 1.00 0.00 H new ATOM 0 H21 G A 7 2.197 8.925 -2.516 1.00 0.00 H new ATOM 0 H22 G A 7 0.630 8.469 -3.193 1.00 0.00 H new ATOM 229 P C A 8 3.003 12.901 5.341 1.00 0.00 P ATOM 230 OP1 C A 8 3.002 14.347 5.053 1.00 0.00 O ATOM 231 OP2 C A 8 4.026 12.379 6.267 1.00 0.00 O ATOM 232 O5' C A 8 1.551 12.538 5.886 1.00 0.00 O ATOM 233 C5' C A 8 0.424 12.915 5.119 1.00 0.00 C ATOM 234 C4' C A 8 -0.902 12.353 5.622 1.00 0.00 C ATOM 235 O4' C A 8 -1.879 12.788 4.698 1.00 0.00 O ATOM 236 C3' C A 8 -1.010 10.825 5.729 1.00 0.00 C ATOM 237 O3' C A 8 -0.673 10.363 7.032 1.00 0.00 O ATOM 238 C2' C A 8 -2.489 10.623 5.391 1.00 0.00 C ATOM 239 O2' C A 8 -3.264 10.808 6.567 1.00 0.00 O ATOM 240 C1' C A 8 -2.793 11.749 4.389 1.00 0.00 C ATOM 241 N1 C A 8 -2.677 11.380 2.941 1.00 0.00 N ATOM 242 C2 C A 8 -3.835 11.428 2.147 1.00 0.00 C ATOM 243 O2 C A 8 -4.899 11.884 2.572 1.00 0.00 O ATOM 244 N3 C A 8 -3.766 11.008 0.850 1.00 0.00 N ATOM 245 C4 C A 8 -2.624 10.561 0.336 1.00 0.00 C ATOM 246 N4 C A 8 -2.667 10.129 -0.916 1.00 0.00 N ATOM 247 C5 C A 8 -1.393 10.649 1.061 1.00 0.00 C ATOM 248 C6 C A 8 -1.471 11.042 2.358 1.00 0.00 C ATOM 0 H5' C A 8 0.575 12.589 4.090 1.00 0.00 H new ATOM 0 H5'' C A 8 0.360 14.003 5.102 1.00 0.00 H new ATOM 0 H4' C A 8 -1.022 12.710 6.645 1.00 0.00 H new ATOM 0 H3' C A 8 -0.330 10.269 5.084 1.00 0.00 H new ATOM 0 H2' C A 8 -2.711 9.632 4.995 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.695 10.687 7.356 1.00 0.00 H new ATOM 0 HO3' C A 8 -0.237 9.488 6.966 1.00 0.00 H new ATOM 0 H1' C A 8 -3.841 12.029 4.499 1.00 0.00 H new ATOM 0 H41 C A 8 -1.821 9.775 -1.363 1.00 0.00 H new ATOM 0 H42 C A 8 -3.546 10.151 -1.433 1.00 0.00 H new ATOM 0 H5 C A 8 -0.446 10.414 0.598 1.00 0.00 H new ATOM 0 H6 C A 8 -0.568 11.092 2.949 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.152 12.293 -5.183 1.00 0.00 O ATOM 263 C5' G B 101 -8.653 11.009 -5.520 1.00 0.00 C ATOM 264 C4' G B 101 -7.307 11.144 -6.246 1.00 0.00 C ATOM 265 O4' G B 101 -6.398 11.855 -5.405 1.00 0.00 O ATOM 266 C3' G B 101 -6.661 9.784 -6.565 1.00 0.00 C ATOM 267 O3' G B 101 -6.691 9.450 -7.944 1.00 0.00 O ATOM 268 C2' G B 101 -5.224 10.002 -6.091 1.00 0.00 C ATOM 269 O2' G B 101 -4.481 10.612 -7.127 1.00 0.00 O ATOM 270 C1' G B 101 -5.408 10.958 -4.914 1.00 0.00 C ATOM 271 N9 G B 101 -5.860 10.281 -3.664 1.00 0.00 N ATOM 272 C8 G B 101 -6.088 8.941 -3.456 1.00 0.00 C ATOM 273 N7 G B 101 -6.506 8.650 -2.262 1.00 0.00 N ATOM 274 C5 G B 101 -6.525 9.871 -1.600 1.00 0.00 C ATOM 275 C6 G B 101 -6.908 10.168 -0.255 1.00 0.00 C ATOM 276 O6 G B 101 -7.362 9.396 0.593 1.00 0.00 O ATOM 277 N1 G B 101 -6.738 11.506 0.058 1.00 0.00 N ATOM 278 C2 G B 101 -6.221 12.445 -0.805 1.00 0.00 C ATOM 279 N2 G B 101 -5.998 13.662 -0.318 1.00 0.00 N ATOM 280 N3 G B 101 -5.896 12.193 -2.091 1.00 0.00 N ATOM 281 C4 G B 101 -6.080 10.877 -2.434 1.00 0.00 C ATOM 0 H5' G B 101 -9.368 10.487 -6.156 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.531 10.409 -4.618 1.00 0.00 H new ATOM 0 H4' G B 101 -7.504 11.664 -7.184 1.00 0.00 H new ATOM 0 H3' G B 101 -7.184 8.955 -6.089 1.00 0.00 H new ATOM 0 H2' G B 101 -4.691 9.091 -5.820 1.00 0.00 H new ATOM 0 HO2' G B 101 -3.769 10.006 -7.420 1.00 0.00 H new ATOM 0 HO5' G B 101 -8.404 12.917 -5.075 1.00 0.00 H new ATOM 0 H1' G B 101 -4.474 11.436 -4.619 1.00 0.00 H new ATOM 0 H8 G B 101 -5.933 8.194 -4.221 1.00 0.00 H new ATOM 0 H1 G B 101 -7.014 11.816 0.990 1.00 0.00 H new ATOM 0 H21 G B 101 -5.615 14.390 -0.921 1.00 0.00 H new ATOM 0 H22 G B 101 -6.209 13.867 0.659 1.00 0.00 H new ATOM 294 P C B 102 -6.439 7.953 -8.435 1.00 0.00 P ATOM 295 OP1 C B 102 -6.975 7.853 -9.810 1.00 0.00 O ATOM 296 OP2 C B 102 -6.931 7.040 -7.390 1.00 0.00 O ATOM 297 O5' C B 102 -4.846 7.856 -8.474 1.00 0.00 O ATOM 298 C5' C B 102 -4.086 8.141 -9.636 1.00 0.00 C ATOM 299 C4' C B 102 -2.596 8.297 -9.289 1.00 0.00 C ATOM 300 O4' C B 102 -2.494 8.949 -8.030 1.00 0.00 O ATOM 301 C3' C B 102 -1.722 7.040 -9.229 1.00 0.00 C ATOM 302 O3' C B 102 -1.063 6.791 -10.470 1.00 0.00 O ATOM 303 C2' C B 102 -0.687 7.482 -8.209 1.00 0.00 C ATOM 304 O2' C B 102 0.278 8.290 -8.854 1.00 0.00 O ATOM 305 C1' C B 102 -1.453 8.376 -7.257 1.00 0.00 C ATOM 306 N1 C B 102 -1.950 7.722 -6.007 1.00 0.00 N ATOM 307 C2 C B 102 -1.287 8.017 -4.810 1.00 0.00 C ATOM 308 O2 C B 102 -0.185 8.583 -4.793 1.00 0.00 O ATOM 309 N3 C B 102 -1.864 7.701 -3.615 1.00 0.00 N ATOM 310 C4 C B 102 -3.039 7.049 -3.583 1.00 0.00 C ATOM 311 N4 C B 102 -3.580 6.767 -2.405 1.00 0.00 N ATOM 312 C5 C B 102 -3.719 6.689 -4.790 1.00 0.00 C ATOM 313 C6 C B 102 -3.126 7.008 -5.968 1.00 0.00 C ATOM 0 H5' C B 102 -4.453 9.056 -10.101 1.00 0.00 H new ATOM 0 H5'' C B 102 -4.213 7.340 -10.364 1.00 0.00 H new ATOM 0 H4' C B 102 -2.200 8.858 -10.136 1.00 0.00 H new ATOM 0 H3' C B 102 -2.278 6.131 -8.999 1.00 0.00 H new ATOM 0 H2' C B 102 -0.197 6.637 -7.725 1.00 0.00 H new ATOM 0 HO2' C B 102 0.276 8.098 -9.815 1.00 0.00 H new ATOM 0 H1' C B 102 -0.777 9.128 -6.849 1.00 0.00 H new ATOM 0 H41 C B 102 -4.471 6.273 -2.358 1.00 0.00 H new ATOM 0 H42 C B 102 -3.105 7.044 -1.546 1.00 0.00 H new ATOM 0 H5 C B 102 -4.672 6.181 -4.764 1.00 0.00 H new ATOM 0 H6 C B 102 -3.586 6.695 -6.894 1.00 0.00 H new ATOM 325 P C B 103 -0.362 5.395 -10.829 1.00 0.00 P ATOM 326 OP1 C B 103 0.379 5.604 -12.094 1.00 0.00 O ATOM 327 OP2 C B 103 -1.383 4.332 -10.792 1.00 0.00 O ATOM 328 O5' C B 103 0.713 5.087 -9.690 1.00 0.00 O ATOM 329 C5' C B 103 2.031 5.610 -9.754 1.00 0.00 C ATOM 330 C4' C B 103 2.755 5.418 -8.422 1.00 0.00 C ATOM 331 O4' C B 103 2.040 6.088 -7.399 1.00 0.00 O ATOM 332 C3' C B 103 2.908 3.966 -7.957 1.00 0.00 C ATOM 333 O3' C B 103 4.027 3.293 -8.540 1.00 0.00 O ATOM 334 C2' C B 103 3.109 4.224 -6.468 1.00 0.00 C ATOM 335 O2' C B 103 4.466 4.484 -6.200 1.00 0.00 O ATOM 336 C1' C B 103 2.282 5.463 -6.155 1.00 0.00 C ATOM 337 N1 C B 103 1.042 5.108 -5.416 1.00 0.00 N ATOM 338 C2 C B 103 1.089 5.159 -4.021 1.00 0.00 C ATOM 339 O2 C B 103 2.083 5.552 -3.407 1.00 0.00 O ATOM 340 N3 C B 103 0.005 4.763 -3.305 1.00 0.00 N ATOM 341 C4 C B 103 -1.092 4.306 -3.914 1.00 0.00 C ATOM 342 N4 C B 103 -2.091 3.887 -3.158 1.00 0.00 N ATOM 343 C5 C B 103 -1.171 4.239 -5.345 1.00 0.00 C ATOM 344 C6 C B 103 -0.089 4.656 -6.054 1.00 0.00 C ATOM 0 H5' C B 103 1.995 6.670 -10.004 1.00 0.00 H new ATOM 0 H5'' C B 103 2.586 5.114 -10.550 1.00 0.00 H new ATOM 0 H4' C B 103 3.755 5.815 -8.597 1.00 0.00 H new ATOM 0 H3' C B 103 2.081 3.310 -8.227 1.00 0.00 H new ATOM 0 H2' C B 103 2.810 3.365 -5.867 1.00 0.00 H new ATOM 0 HO2' C B 103 4.792 3.854 -5.524 1.00 0.00 H new ATOM 0 H1' C B 103 2.803 6.152 -5.490 1.00 0.00 H new ATOM 0 H41 C B 103 -2.944 3.532 -3.591 1.00 0.00 H new ATOM 0 H42 C B 103 -2.010 3.919 -2.142 1.00 0.00 H new ATOM 0 H5 C B 103 -2.057 3.871 -5.840 1.00 0.00 H new ATOM 0 H6 C B 103 -0.118 4.632 -7.133 1.00 0.00 H new ATOM 356 P A B 104 4.384 1.755 -8.222 1.00 0.00 P ATOM 357 OP1 A B 104 5.467 1.353 -9.139 1.00 0.00 O ATOM 358 OP2 A B 104 3.134 0.960 -8.157 1.00 0.00 O ATOM 359 O5' A B 104 4.998 1.807 -6.742 1.00 0.00 O ATOM 360 C5' A B 104 6.389 1.926 -6.502 1.00 0.00 C ATOM 361 C4' A B 104 6.700 2.059 -5.006 1.00 0.00 C ATOM 362 O4' A B 104 5.798 2.935 -4.346 1.00 0.00 O ATOM 363 C3' A B 104 6.680 0.752 -4.218 1.00 0.00 C ATOM 364 O3' A B 104 7.923 0.075 -4.303 1.00 0.00 O ATOM 365 C2' A B 104 6.467 1.314 -2.812 1.00 0.00 C ATOM 366 O2' A B 104 7.695 1.849 -2.322 1.00 0.00 O ATOM 367 C1' A B 104 5.466 2.446 -3.047 1.00 0.00 C ATOM 368 N9 A B 104 4.044 2.005 -2.996 1.00 0.00 N ATOM 369 C8 A B 104 3.195 1.731 -4.039 1.00 0.00 C ATOM 370 N7 A B 104 1.948 1.556 -3.713 1.00 0.00 N ATOM 371 C5 A B 104 1.997 1.592 -2.327 1.00 0.00 C ATOM 372 C6 A B 104 0.997 1.462 -1.349 1.00 0.00 C ATOM 373 N6 A B 104 -0.286 1.330 -1.642 1.00 0.00 N ATOM 374 N1 A B 104 1.346 1.508 -0.061 1.00 0.00 N ATOM 375 C2 A B 104 2.622 1.675 0.263 1.00 0.00 C ATOM 376 N3 A B 104 3.669 1.839 -0.556 1.00 0.00 N ATOM 377 C4 A B 104 3.281 1.780 -1.867 1.00 0.00 C ATOM 0 H5' A B 104 6.776 2.796 -7.032 1.00 0.00 H new ATOM 0 H5'' A B 104 6.903 1.053 -6.904 1.00 0.00 H new ATOM 0 H4' A B 104 7.718 2.449 -5.013 1.00 0.00 H new ATOM 0 H3' A B 104 5.945 0.021 -4.554 1.00 0.00 H new ATOM 0 H2' A B 104 6.125 0.573 -2.089 1.00 0.00 H new ATOM 0 HO2' A B 104 8.443 1.468 -2.828 1.00 0.00 H new ATOM 0 H1' A B 104 5.539 3.199 -2.263 1.00 0.00 H new ATOM 0 H8 A B 104 3.539 1.665 -5.061 1.00 0.00 H new ATOM 0 H61 A B 104 -0.973 1.239 -0.894 1.00 0.00 H new ATOM 0 H62 A B 104 -0.588 1.319 -2.616 1.00 0.00 H new ATOM 0 H2 A B 104 2.844 1.679 1.320 1.00 0.00 H new ATOM 389 P DC B 105 8.013 -1.506 -4.174 1.00 0.00 P ATOM 390 OP1 DC B 105 9.452 -1.844 -4.092 1.00 0.00 O ATOM 391 OP2 DC B 105 7.224 -2.078 -5.277 1.00 0.00 O ATOM 392 O5' DC B 105 7.349 -1.885 -2.777 1.00 0.00 O ATOM 393 C5' DC B 105 8.021 -1.633 -1.557 1.00 0.00 C ATOM 394 C4' DC B 105 7.124 -1.790 -0.323 1.00 0.00 C ATOM 395 O4' DC B 105 6.052 -0.861 -0.331 1.00 0.00 O ATOM 396 C3' DC B 105 6.524 -3.184 -0.142 1.00 0.00 C ATOM 397 O3' DC B 105 7.455 -4.029 0.515 1.00 0.00 O ATOM 398 C2' DC B 105 5.332 -2.818 0.739 1.00 0.00 C ATOM 399 C1' DC B 105 4.869 -1.482 0.164 1.00 0.00 C ATOM 400 N1 DC B 105 3.824 -1.637 -0.897 1.00 0.00 N ATOM 401 C2 DC B 105 2.495 -1.816 -0.502 1.00 0.00 C ATOM 402 O2 DC B 105 2.195 -1.933 0.685 1.00 0.00 O ATOM 403 N3 DC B 105 1.507 -1.866 -1.446 1.00 0.00 N ATOM 404 C4 DC B 105 1.817 -1.742 -2.740 1.00 0.00 C ATOM 405 N4 DC B 105 0.840 -1.699 -3.634 1.00 0.00 N ATOM 406 C5 DC B 105 3.172 -1.674 -3.183 1.00 0.00 C ATOM 407 C6 DC B 105 4.132 -1.599 -2.233 1.00 0.00 C ATOM 0 H5' DC B 105 8.426 -0.621 -1.576 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.868 -2.314 -1.470 1.00 0.00 H new ATOM 0 H4' DC B 105 7.802 -1.604 0.510 1.00 0.00 H new ATOM 0 H3' DC B 105 6.261 -3.730 -1.048 1.00 0.00 H new ATOM 0 H2' DC B 105 4.547 -3.572 0.687 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.619 -2.728 1.787 1.00 0.00 H new ATOM 0 H1' DC B 105 4.381 -0.874 0.925 1.00 0.00 H new ATOM 0 H41 DC B 105 1.060 -1.605 -4.626 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.132 -1.760 -3.331 1.00 0.00 H new ATOM 0 H5 DC B 105 3.421 -1.682 -4.234 1.00 0.00 H new ATOM 0 H6 DC B 105 5.165 -1.507 -2.534 1.00 0.00 H new ATOM 419 P DT B 106 7.381 -5.627 0.433 1.00 0.00 P ATOM 420 OP1 DT B 106 8.566 -6.126 1.161 1.00 0.00 O ATOM 421 OP2 DT B 106 7.166 -6.026 -0.975 1.00 0.00 O ATOM 422 O5' DT B 106 6.078 -6.018 1.263 1.00 0.00 O ATOM 423 C5' DT B 106 6.061 -5.901 2.670 1.00 0.00 C ATOM 424 C4' DT B 106 4.646 -6.055 3.234 1.00 0.00 C ATOM 425 O4' DT B 106 3.773 -5.099 2.645 1.00 0.00 O ATOM 426 C3' DT B 106 4.014 -7.433 3.036 1.00 0.00 C ATOM 427 O3' DT B 106 4.324 -8.356 4.073 1.00 0.00 O ATOM 428 C2' DT B 106 2.541 -7.058 3.072 1.00 0.00 C ATOM 429 C1' DT B 106 2.478 -5.663 2.481 1.00 0.00 C ATOM 430 N1 DT B 106 2.040 -5.733 1.065 1.00 0.00 N ATOM 431 C2 DT B 106 0.675 -5.903 0.821 1.00 0.00 C ATOM 432 O2 DT B 106 -0.163 -6.037 1.718 1.00 0.00 O ATOM 433 N3 DT B 106 0.296 -5.912 -0.507 1.00 0.00 N ATOM 434 C4 DT B 106 1.130 -5.773 -1.600 1.00 0.00 C ATOM 435 O4 DT B 106 0.664 -5.816 -2.744 1.00 0.00 O ATOM 436 C5 DT B 106 2.535 -5.604 -1.266 1.00 0.00 C ATOM 437 C7 DT B 106 3.551 -5.392 -2.371 1.00 0.00 C ATOM 438 C6 DT B 106 2.939 -5.631 0.032 1.00 0.00 C ATOM 0 H5' DT B 106 6.464 -4.931 2.959 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.711 -6.659 3.106 1.00 0.00 H new ATOM 0 H4' DT B 106 4.767 -5.904 4.307 1.00 0.00 H new ATOM 0 H3' DT B 106 4.358 -7.942 2.136 1.00 0.00 H new ATOM 0 H2' DT B 106 1.941 -7.760 2.493 1.00 0.00 H new ATOM 0 H2'' DT B 106 2.154 -7.073 4.091 1.00 0.00 H new ATOM 0 H1' DT B 106 1.747 -5.028 2.981 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.698 -6.033 -0.700 1.00 0.00 H new ATOM 0 H71 DT B 106 4.375 -4.785 -1.996 1.00 0.00 H new ATOM 0 H72 DT B 106 3.933 -6.357 -2.704 1.00 0.00 H new ATOM 0 H73 DT B 106 3.076 -4.881 -3.209 1.00 0.00 H new ATOM 0 H6 DT B 106 3.994 -5.571 0.256 1.00 0.00 H new ATOM 451 P DG B 107 3.886 -9.898 3.972 1.00 0.00 P ATOM 452 OP1 DG B 107 4.491 -10.657 5.089 1.00 0.00 O ATOM 453 OP2 DG B 107 4.133 -10.381 2.597 1.00 0.00 O ATOM 454 O5' DG B 107 2.307 -9.935 4.201 1.00 0.00 O ATOM 455 C5' DG B 107 1.748 -9.482 5.427 1.00 0.00 C ATOM 456 C4' DG B 107 0.214 -9.444 5.420 1.00 0.00 C ATOM 457 O4' DG B 107 -0.294 -8.813 4.251 1.00 0.00 O ATOM 458 C3' DG B 107 -0.439 -10.825 5.495 1.00 0.00 C ATOM 459 O3' DG B 107 -1.636 -10.726 6.254 1.00 0.00 O ATOM 460 C2' DG B 107 -0.756 -11.106 4.037 1.00 0.00 C ATOM 461 C1' DG B 107 -1.151 -9.716 3.559 1.00 0.00 C ATOM 462 N9 DG B 107 -0.963 -9.583 2.101 1.00 0.00 N ATOM 463 C8 DG B 107 0.226 -9.621 1.426 1.00 0.00 C ATOM 464 N7 DG B 107 0.122 -9.436 0.141 1.00 0.00 N ATOM 465 C5 DG B 107 -1.250 -9.305 -0.057 1.00 0.00 C ATOM 466 C6 DG B 107 -1.974 -9.109 -1.273 1.00 0.00 C ATOM 467 O6 DG B 107 -1.520 -8.952 -2.409 1.00 0.00 O ATOM 468 N1 DG B 107 -3.347 -9.108 -1.078 1.00 0.00 N ATOM 469 C2 DG B 107 -3.962 -9.252 0.145 1.00 0.00 C ATOM 470 N2 DG B 107 -5.291 -9.249 0.171 1.00 0.00 N ATOM 471 N3 DG B 107 -3.296 -9.409 1.308 1.00 0.00 N ATOM 472 C4 DG B 107 -1.935 -9.428 1.135 1.00 0.00 C ATOM 0 H5' DG B 107 2.128 -8.484 5.644 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.084 -10.133 6.234 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.038 -8.879 6.317 1.00 0.00 H new ATOM 0 H3' DG B 107 0.173 -11.597 5.961 1.00 0.00 H new ATOM 0 H2' DG B 107 0.104 -11.501 3.496 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.564 -11.828 3.921 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.203 -9.515 3.759 1.00 0.00 H new ATOM 0 H8 DG B 107 1.173 -9.790 1.918 1.00 0.00 H new ATOM 0 H1 DG B 107 -3.943 -8.993 -1.898 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.784 -9.353 1.058 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.818 -9.142 -0.696 1.00 0.00 H new ATOM 484 P DC B 108 -2.240 -11.962 7.054 1.00 0.00 P ATOM 485 OP1 DC B 108 -3.238 -11.398 7.985 1.00 0.00 O ATOM 486 OP2 DC B 108 -1.132 -12.736 7.642 1.00 0.00 O ATOM 487 O5' DC B 108 -3.005 -12.907 6.028 1.00 0.00 O ATOM 488 C5' DC B 108 -4.353 -12.641 5.684 1.00 0.00 C ATOM 489 C4' DC B 108 -5.175 -13.892 5.381 1.00 0.00 C ATOM 490 O4' DC B 108 -5.123 -14.199 4.005 1.00 0.00 O ATOM 491 C3' DC B 108 -4.649 -15.109 6.158 1.00 0.00 C ATOM 492 O3' DC B 108 -5.713 -15.942 6.572 1.00 0.00 O ATOM 493 C2' DC B 108 -3.761 -15.785 5.116 1.00 0.00 C ATOM 494 C1' DC B 108 -4.455 -15.429 3.800 1.00 0.00 C ATOM 495 N1 DC B 108 -3.510 -15.310 2.664 1.00 0.00 N ATOM 496 C2 DC B 108 -3.377 -16.394 1.792 1.00 0.00 C ATOM 497 O2 DC B 108 -3.973 -17.468 1.983 1.00 0.00 O ATOM 498 N3 DC B 108 -2.556 -16.269 0.705 1.00 0.00 N ATOM 499 C4 DC B 108 -1.886 -15.125 0.494 1.00 0.00 C ATOM 500 N4 DC B 108 -1.118 -15.048 -0.578 1.00 0.00 N ATOM 501 C5 DC B 108 -1.959 -14.019 1.398 1.00 0.00 C ATOM 502 C6 DC B 108 -2.799 -14.150 2.454 1.00 0.00 C ATOM 0 H5' DC B 108 -4.373 -11.986 4.813 1.00 0.00 H new ATOM 0 H5'' DC B 108 -4.826 -12.097 6.502 1.00 0.00 H new ATOM 0 H4' DC B 108 -6.200 -13.679 5.684 1.00 0.00 H new ATOM 0 H3' DC B 108 -4.121 -14.862 7.079 1.00 0.00 H new ATOM 0 H2' DC B 108 -2.739 -15.408 5.149 1.00 0.00 H new ATOM 0 H2'' DC B 108 -3.708 -16.863 5.267 1.00 0.00 H new ATOM 0 HO3' DC B 108 -5.355 -16.711 7.063 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.146 -16.229 3.533 1.00 0.00 H new ATOM 0 H41 DC B 108 -0.594 -14.194 -0.770 1.00 0.00 H new ATOM 0 H42 DC B 108 -1.049 -15.843 -1.214 1.00 0.00 H new ATOM 0 H5 DC B 108 -1.374 -13.124 1.247 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.913 -13.328 3.145 1.00 0.00 H new TER 515 DC B 108