USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 285 hydrogens (10 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 Set 1.1: A 18 DT C7 :methyl -30:sc= -8.53! (180deg=-6.67!) USER MOD Set 1.2: A 19 DT C7 :methyl 150:sc= -4.46! (180deg=-0.0555) USER MOD Set 2.1: A 1 DT C7 :methyl -30:sc= -2.72 (180deg=-7.24!) USER MOD Set 2.2: A 12 DT C7 :methyl 150:sc= -0.0393 (180deg=-0.0393) USER MOD Single : A 1 DT O5' : rot 145:sc= 0.501 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-0.375) USER MOD Single : A 13 DT C7 :methyl -30:sc=-0.000244 (180deg=-0.00601) USER MOD Single : A 24 DT C7 :methyl -30:sc= 0 (180deg=-0.00267) USER MOD Single : A 25 DT C7 :methyl -30:sc= -1.54! (180deg=-2.37!) USER MOD Single : A 25 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 5.051 8.275 -4.942 1.00 1.05 O ATOM 2 C5' DT A 1 5.400 7.025 -5.523 1.00 1.03 C ATOM 3 C4' DT A 1 4.226 6.420 -6.250 1.00 0.72 C ATOM 4 O4' DT A 1 3.187 6.075 -5.294 1.00 0.51 O ATOM 5 C3' DT A 1 3.580 7.351 -7.264 1.00 0.70 C ATOM 6 O3' DT A 1 3.180 6.608 -8.422 1.00 0.72 O ATOM 7 C2' DT A 1 2.380 7.917 -6.519 1.00 0.63 C ATOM 8 C1' DT A 1 1.987 6.785 -5.581 1.00 0.48 C ATOM 9 N1 DT A 1 1.397 7.247 -4.307 1.00 0.53 N ATOM 10 C2 DT A 1 0.015 7.292 -4.213 1.00 0.67 C ATOM 11 O2 DT A 1 -0.723 6.915 -5.107 1.00 0.75 O ATOM 12 N3 DT A 1 -0.470 7.783 -3.018 1.00 0.79 N ATOM 13 C4 DT A 1 0.275 8.215 -1.930 1.00 0.75 C ATOM 14 O4 DT A 1 -0.297 8.651 -0.934 1.00 0.88 O ATOM 15 C5 DT A 1 1.718 8.125 -2.087 1.00 0.58 C ATOM 16 C7 DT A 1 2.597 8.526 -0.939 1.00 0.57 C ATOM 17 C6 DT A 1 2.207 7.657 -3.254 1.00 0.50 C ATOM 0 H5' DT A 1 5.742 6.342 -4.746 1.00 1.03 H new ATOM 0 H5'' DT A 1 6.230 7.161 -6.216 1.00 1.03 H new ATOM 0 H4' DT A 1 4.628 5.555 -6.777 1.00 0.72 H new ATOM 0 H3' DT A 1 4.245 8.136 -7.624 1.00 0.70 H new ATOM 0 H2' DT A 1 2.637 8.823 -5.971 1.00 0.63 H new ATOM 0 H2'' DT A 1 1.569 8.176 -7.200 1.00 0.63 H new ATOM 0 HO5' DT A 1 5.519 8.381 -4.088 1.00 1.05 H new ATOM 0 H1' DT A 1 1.223 6.178 -6.067 1.00 0.48 H new ATOM 0 H3 DT A 1 -1.484 7.834 -2.925 1.00 0.79 H new ATOM 0 H71 DT A 1 2.100 9.299 -0.353 1.00 0.57 H new ATOM 0 H72 DT A 1 2.789 7.659 -0.307 1.00 0.57 H new ATOM 0 H73 DT A 1 3.542 8.912 -1.322 1.00 0.57 H new ATOM 0 H6 DT A 1 3.278 7.598 -3.376 1.00 0.50 H new ATOM 31 P DA A 2 2.867 7.368 -9.804 1.00 0.94 P ATOM 32 OP1 DA A 2 3.436 6.584 -10.929 1.00 0.99 O ATOM 33 OP2 DA A 2 3.275 8.789 -9.681 1.00 1.20 O ATOM 34 O5' DA A 2 1.281 7.287 -9.864 1.00 1.02 O ATOM 35 C5' DA A 2 0.567 6.334 -9.084 1.00 0.91 C ATOM 36 C4' DA A 2 -0.871 6.251 -9.527 1.00 0.92 C ATOM 37 O4' DA A 2 -1.684 7.085 -8.687 1.00 0.92 O ATOM 38 C3' DA A 2 -1.123 6.742 -10.947 1.00 1.26 C ATOM 39 O3' DA A 2 -2.160 5.961 -11.573 1.00 1.40 O ATOM 40 C2' DA A 2 -1.560 8.204 -10.771 1.00 1.42 C ATOM 41 C1' DA A 2 -1.805 8.369 -9.261 1.00 1.20 C ATOM 42 N9 DA A 2 -0.873 9.280 -8.553 1.00 1.28 N ATOM 43 C8 DA A 2 0.233 9.935 -9.049 1.00 1.34 C ATOM 44 N7 DA A 2 0.860 10.674 -8.161 1.00 1.50 N ATOM 45 C5 DA A 2 0.127 10.496 -6.996 1.00 1.48 C ATOM 46 C6 DA A 2 0.266 11.005 -5.675 1.00 1.62 C ATOM 47 N6 DA A 2 1.227 11.834 -5.281 1.00 1.77 N ATOM 48 N1 DA A 2 -0.642 10.620 -4.753 1.00 1.69 N ATOM 49 C2 DA A 2 -1.619 9.787 -5.123 1.00 1.66 C ATOM 50 N3 DA A 2 -1.865 9.243 -6.319 1.00 1.53 N ATOM 51 C4 DA A 2 -0.946 9.638 -7.225 1.00 1.40 C ATOM 0 H5' DA A 2 0.613 6.612 -8.031 1.00 0.91 H new ATOM 0 H5'' DA A 2 1.038 5.355 -9.176 1.00 0.91 H new ATOM 0 H4' DA A 2 -1.117 5.191 -9.468 1.00 0.92 H new ATOM 0 H3' DA A 2 -0.246 6.650 -11.587 1.00 1.26 H new ATOM 0 H2' DA A 2 -0.790 8.891 -11.123 1.00 1.42 H new ATOM 0 H2'' DA A 2 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-6.911 1.00 0.36 N ATOM 77 C5 DG A 3 2.709 3.223 -6.910 1.00 0.34 C ATOM 78 C6 DG A 3 1.787 3.261 -5.823 1.00 0.38 C ATOM 79 O6 DG A 3 2.038 3.304 -4.616 1.00 0.42 O ATOM 80 N1 DG A 3 0.460 3.251 -6.267 1.00 0.41 N ATOM 81 C2 DG A 3 0.078 3.209 -7.599 1.00 0.41 C ATOM 82 N2 DG A 3 -1.235 3.213 -7.850 1.00 0.48 N ATOM 83 N3 DG A 3 0.932 3.172 -8.613 1.00 0.37 N ATOM 84 C4 DG A 3 2.221 3.183 -8.203 1.00 0.33 C ATOM 0 H5' DG A 3 0.056 2.472 -13.007 1.00 0.68 H new ATOM 0 H5'' DG A 3 0.133 2.587 -11.260 1.00 0.68 H new ATOM 0 H4' DG A 3 2.019 3.969 -13.134 1.00 0.42 H new ATOM 0 H3' DG A 3 2.141 1.246 -12.941 1.00 0.50 H new ATOM 0 H2' DG A 3 2.318 1.188 -10.489 1.00 0.50 H new ATOM 0 H2'' DG A 3 3.989 1.072 -11.001 1.00 0.50 H new ATOM 0 H1' DG A 3 4.380 3.389 -10.752 1.00 0.36 H new ATOM 0 H8 DG A 3 5.435 3.160 -8.532 1.00 0.36 H new ATOM 0 H1 DG A 3 -0.277 3.276 -5.562 1.00 0.41 H new ATOM 0 H21 DG A 3 -1.570 3.183 -8.813 1.00 0.48 H new ATOM 0 H22 DG A 3 -1.902 3.246 -7.079 1.00 0.48 H new ATOM 96 P DG A 4 4.764 1.050 -13.774 1.00 0.86 P ATOM 97 OP1 DG A 4 5.673 1.530 -14.847 1.00 0.99 O ATOM 98 OP2 DG A 4 3.878 -0.098 -14.090 1.00 1.14 O ATOM 99 O5' DG A 4 5.636 0.693 -12.480 1.00 0.71 O ATOM 100 C5' DG A 4 6.787 1.457 -12.132 1.00 0.75 C ATOM 101 C4' DG A 4 7.370 1.014 -10.802 1.00 0.67 C ATOM 102 O4' DG A 4 6.378 1.159 -9.759 1.00 0.55 O ATOM 103 C3' DG A 4 7.835 -0.450 -10.735 1.00 0.64 C ATOM 104 O3' DG A 4 9.230 -0.491 -10.376 1.00 0.71 O ATOM 105 C2' DG A 4 6.966 -1.072 -9.638 1.00 0.58 C ATOM 106 C1' DG A 4 6.571 0.132 -8.816 1.00 0.48 C ATOM 107 N9 DG A 4 5.337 -0.029 -8.035 1.00 0.42 N ATOM 108 C8 DG A 4 4.061 -0.200 -8.518 1.00 0.42 C ATOM 109 N7 DG A 4 3.164 -0.289 -7.576 1.00 0.39 N ATOM 110 C5 DG A 4 3.886 -0.175 -6.402 1.00 0.36 C ATOM 111 C6 DG A 4 3.444 -0.201 -5.049 1.00 0.37 C ATOM 112 O6 DG A 4 2.292 -0.324 -4.631 1.00 0.43 O ATOM 113 N1 DG A 4 4.510 -0.057 -4.153 1.00 0.37 N ATOM 114 C2 DG A 4 5.835 0.094 -4.527 1.00 0.37 C ATOM 115 N2 DG A 4 6.734 0.199 -3.540 1.00 0.41 N ATOM 116 N3 DG A 4 6.248 0.124 -5.789 1.00 0.38 N ATOM 117 C4 DG A 4 5.230 -0.016 -6.668 1.00 0.36 C ATOM 0 H5' DG A 4 6.522 2.513 -12.080 1.00 0.75 H new ATOM 0 H5'' DG A 4 7.541 1.356 -12.912 1.00 0.75 H new ATOM 0 H4' DG A 4 8.244 1.652 -10.675 1.00 0.67 H new ATOM 0 H3' DG A 4 7.734 -0.981 -11.681 1.00 0.64 H new ATOM 0 H2' DG A 4 6.097 -1.585 -10.050 1.00 0.58 H new ATOM 0 H2'' DG A 4 7.518 -1.803 -9.048 1.00 0.58 H new ATOM 0 H1' DG A 4 7.347 0.324 -8.075 1.00 0.48 H new ATOM 0 H8 DG A 4 3.826 -0.255 -9.571 1.00 0.42 H new ATOM 0 H1 DG A 4 4.296 -0.064 -3.156 1.00 0.37 H new ATOM 0 H21 DG A 4 7.723 0.312 -3.761 1.00 0.41 H new ATOM 0 H22 DG A 4 6.429 0.166 -2.567 1.00 0.41 H new ATOM 129 P DG A 5 9.991 -1.895 -10.154 1.00 0.75 P ATOM 130 OP1 DG A 5 11.426 -1.726 -10.498 1.00 0.85 O ATOM 131 OP2 DG A 5 9.240 -2.967 -10.856 1.00 0.93 O ATOM 132 O5' DG A 5 9.856 -2.110 -8.578 1.00 0.65 O ATOM 133 C5' DG A 5 10.472 -1.214 -7.654 1.00 0.60 C ATOM 134 C4' DG A 5 10.397 -1.754 -6.242 1.00 0.48 C ATOM 135 O4' DG A 5 9.043 -1.641 -5.757 1.00 0.45 O ATOM 136 C3' DG A 5 10.774 -3.233 -6.100 1.00 0.48 C ATOM 137 O3' DG A 5 11.805 -3.390 -5.106 1.00 0.54 O ATOM 138 C2' DG A 5 9.492 -3.920 -5.664 1.00 0.43 C ATOM 139 C1' DG A 5 8.714 -2.801 -5.028 1.00 0.38 C ATOM 140 N9 DG A 5 7.274 -2.993 -5.090 1.00 0.36 N ATOM 141 C8 DG A 5 6.504 -3.071 -6.219 1.00 0.38 C ATOM 142 N7 DG A 5 5.233 -3.280 -5.959 1.00 0.41 N ATOM 143 C5 DG A 5 5.183 -3.342 -4.568 1.00 0.39 C ATOM 144 C6 DG A 5 4.084 -3.551 -3.685 1.00 0.44 C ATOM 145 O6 DG A 5 2.903 -3.713 -3.975 1.00 0.51 O ATOM 146 N1 DG A 5 4.482 -3.548 -2.340 1.00 0.46 N ATOM 147 C2 DG A 5 5.783 -3.360 -1.910 1.00 0.45 C ATOM 148 N2 DG A 5 6.003 -3.392 -0.589 1.00 0.51 N ATOM 149 N3 DG A 5 6.807 -3.161 -2.727 1.00 0.40 N ATOM 150 C4 DG A 5 6.440 -3.166 -4.027 1.00 0.36 C ATOM 0 H5' DG A 5 9.981 -0.242 -7.702 1.00 0.60 H new ATOM 0 H5'' DG A 5 11.514 -1.058 -7.933 1.00 0.60 H new ATOM 0 H4' DG A 5 11.117 -1.161 -5.678 1.00 0.48 H new ATOM 0 H3' DG A 5 11.166 -3.655 -7.025 1.00 0.48 H new ATOM 0 H2' DG A 5 8.958 -4.354 -6.509 1.00 0.43 H new ATOM 0 H2'' DG A 5 9.686 -4.729 -4.960 1.00 0.43 H new ATOM 0 H1' DG A 5 8.972 -2.744 -3.970 1.00 0.38 H new ATOM 0 H8 DG A 5 6.900 -2.971 -7.219 1.00 0.38 H new ATOM 0 H1 DG A 5 3.763 -3.694 -1.631 1.00 0.46 H new ATOM 0 H21 DG A 5 6.947 -3.258 -0.226 1.00 0.51 H new ATOM 0 H22 DG A 5 5.227 -3.550 0.054 1.00 0.51 H new ATOM 162 P DT A 6 12.424 -4.844 -4.782 1.00 0.65 P ATOM 163 OP1 DT A 6 13.796 -4.671 -4.238 1.00 0.82 O ATOM 164 OP2 DT A 6 12.266 -5.710 -5.977 1.00 0.85 O ATOM 165 O5' DT A 6 11.471 -5.382 -3.616 1.00 0.58 O ATOM 166 C5' DT A 6 11.730 -6.628 -2.969 1.00 0.65 C ATOM 167 C4' DT A 6 11.193 -6.648 -1.546 1.00 0.62 C ATOM 168 O4' DT A 6 11.522 -5.401 -0.875 1.00 0.63 O ATOM 169 C3' DT A 6 9.673 -6.799 -1.418 1.00 0.58 C ATOM 170 O3' DT A 6 9.361 -7.677 -0.319 1.00 0.69 O ATOM 171 C2' DT A 6 9.206 -5.387 -1.111 1.00 0.55 C ATOM 172 C1' DT A 6 10.356 -4.867 -0.275 1.00 0.59 C ATOM 173 N1 DT A 6 10.474 -3.398 -0.232 1.00 0.57 N ATOM 174 C2 DT A 6 10.207 -2.759 0.971 1.00 0.74 C ATOM 175 O2 DT A 6 9.888 -3.357 1.986 1.00 0.92 O ATOM 176 N3 DT A 6 10.327 -1.387 0.937 1.00 0.78 N ATOM 177 C4 DT A 6 10.681 -0.615 -0.158 1.00 0.65 C ATOM 178 O4 DT A 6 10.750 0.598 -0.052 1.00 0.73 O ATOM 179 C5 DT A 6 10.947 -1.344 -1.383 1.00 0.50 C ATOM 180 C7 DT A 6 11.337 -0.568 -2.603 1.00 0.53 C ATOM 181 C6 DT A 6 10.833 -2.685 -1.367 1.00 0.48 C ATOM 0 H5' DT A 6 12.804 -6.814 -2.955 1.00 0.65 H new ATOM 0 H5'' DT A 6 11.274 -7.436 -3.541 1.00 0.65 H new ATOM 0 H4' DT A 6 11.662 -7.526 -1.102 1.00 0.62 H new ATOM 0 H3' DT A 6 9.202 -7.221 -2.306 1.00 0.58 H new ATOM 0 H2' DT A 6 9.057 -4.798 -2.016 1.00 0.55 H new ATOM 0 H2'' DT A 6 8.263 -5.376 -0.564 1.00 0.55 H new ATOM 0 H1' DT A 6 10.199 -5.169 0.761 1.00 0.59 H new ATOM 0 H3 DT A 6 10.136 -0.889 1.806 1.00 0.78 H new ATOM 0 H71 DT A 6 11.987 -1.178 -3.230 1.00 0.53 H new ATOM 0 H72 DT A 6 10.442 -0.297 -3.163 1.00 0.53 H new ATOM 0 H73 DT A 6 11.866 0.337 -2.305 1.00 0.53 H new ATOM 0 H6 DT A 6 11.030 -3.230 -2.278 1.00 0.48 H new ATOM 194 P DT A 7 8.212 -8.795 -0.458 1.00 0.72 P ATOM 195 OP1 DT A 7 8.085 -9.520 0.833 1.00 0.86 O ATOM 196 OP2 DT A 7 8.477 -9.602 -1.674 1.00 0.78 O ATOM 197 O5' DT A 7 6.900 -7.915 -0.691 1.00 0.80 O ATOM 198 C5' DT A 7 6.300 -7.153 0.356 1.00 0.78 C ATOM 199 C4' DT A 7 4.830 -7.498 0.514 1.00 0.71 C ATOM 200 O4' DT A 7 4.104 -7.088 -0.669 1.00 0.70 O ATOM 201 C3' DT A 7 4.527 -8.985 0.675 1.00 0.69 C ATOM 202 O3' DT A 7 3.340 -9.174 1.470 1.00 0.74 O ATOM 203 C2' DT A 7 4.289 -9.447 -0.750 1.00 0.62 C ATOM 204 C1' DT A 7 3.664 -8.224 -1.407 1.00 0.60 C ATOM 205 N1 DT A 7 4.051 -8.038 -2.812 1.00 0.56 N ATOM 206 C2 DT A 7 3.054 -7.969 -3.771 1.00 0.57 C ATOM 207 O2 DT A 7 1.868 -8.106 -3.514 1.00 0.63 O ATOM 208 N3 DT A 7 3.504 -7.754 -5.056 1.00 0.58 N ATOM 209 C4 DT A 7 4.823 -7.618 -5.466 1.00 0.59 C ATOM 210 O4 DT A 7 5.078 -7.433 -6.653 1.00 0.66 O ATOM 211 C5 DT A 7 5.813 -7.711 -4.404 1.00 0.57 C ATOM 212 C7 DT A 7 7.263 -7.593 -4.739 1.00 0.64 C ATOM 213 C6 DT A 7 5.387 -7.910 -3.149 1.00 0.56 C ATOM 0 H5' DT A 7 6.405 -6.090 0.142 1.00 0.78 H new ATOM 0 H5'' DT A 7 6.823 -7.343 1.293 1.00 0.78 H new ATOM 0 H4' DT A 7 4.531 -6.980 1.425 1.00 0.71 H new ATOM 0 H3' DT A 7 5.324 -9.534 1.177 1.00 0.69 H new ATOM 0 H2' DT A 7 5.218 -9.738 -1.240 1.00 0.62 H new ATOM 0 H2'' DT A 7 3.624 -10.310 -0.789 1.00 0.62 H new ATOM 0 H1' DT A 7 2.582 -8.357 -1.400 1.00 0.60 H new ATOM 0 H3 DT A 7 2.792 -7.688 -5.783 1.00 0.58 H new ATOM 0 H71 DT A 7 7.435 -7.968 -5.748 1.00 0.64 H new ATOM 0 H72 DT A 7 7.565 -6.547 -4.684 1.00 0.64 H new ATOM 0 H73 DT A 7 7.849 -8.178 -4.030 1.00 0.64 H new ATOM 0 H6 DT A 7 6.123 -7.974 -2.361 1.00 0.56 H new ATOM 226 P DA A 8 3.443 -9.543 3.035 1.00 0.81 P ATOM 227 OP1 DA A 8 4.714 -9.001 3.580 1.00 0.95 O ATOM 228 OP2 DA A 8 3.191 -10.996 3.198 1.00 1.06 O ATOM 229 O5' DA A 8 2.218 -8.730 3.662 1.00 0.68 O ATOM 230 C5' DA A 8 2.428 -7.580 4.477 1.00 0.60 C ATOM 231 C4' DA A 8 1.195 -6.694 4.520 1.00 0.50 C ATOM 232 O4' DA A 8 0.847 -6.282 3.176 1.00 0.41 O ATOM 233 C3' DA A 8 -0.069 -7.347 5.080 1.00 0.64 C ATOM 234 O3' DA A 8 -0.882 -6.361 5.747 1.00 0.85 O ATOM 235 C2' DA A 8 -0.765 -7.853 3.828 1.00 0.55 C ATOM 236 C1' DA A 8 -0.454 -6.745 2.837 1.00 0.46 C ATOM 237 N9 DA A 8 -0.439 -7.158 1.427 1.00 0.44 N ATOM 238 C8 DA A 8 0.634 -7.639 0.715 1.00 0.50 C ATOM 239 N7 DA A 8 0.372 -7.883 -0.541 1.00 0.49 N ATOM 240 C5 DA A 8 -0.965 -7.543 -0.677 1.00 0.43 C ATOM 241 C6 DA A 8 -1.839 -7.575 -1.782 1.00 0.45 C ATOM 242 N6 DA A 8 -1.464 -7.959 -2.998 1.00 0.48 N ATOM 243 N1 DA A 8 -3.122 -7.177 -1.595 1.00 0.51 N ATOM 244 C2 DA A 8 -3.491 -6.765 -0.369 1.00 0.52 C ATOM 245 N3 DA A 8 -2.758 -6.686 0.754 1.00 0.48 N ATOM 246 C4 DA A 8 -1.485 -7.096 0.529 1.00 0.43 C ATOM 0 H5' DA A 8 3.274 -7.010 4.092 1.00 0.60 H new ATOM 0 H5'' DA A 8 2.688 -7.892 5.488 1.00 0.60 H new ATOM 0 H4' DA A 8 1.482 -5.878 5.183 1.00 0.50 H new ATOM 0 H3' DA A 8 0.128 -8.130 5.812 1.00 0.64 H new ATOM 0 H2' DA A 8 -0.373 -8.816 3.502 1.00 0.55 H new ATOM 0 H2'' DA A 8 -1.837 -7.980 3.978 1.00 0.55 H new ATOM 0 H1' DA A 8 -1.242 -5.996 2.912 1.00 0.46 H new ATOM 0 H8 DA A 8 1.607 -7.801 1.155 1.00 0.50 H new ATOM 0 H61 DA A 8 -2.139 -7.963 -3.763 1.00 0.48 H new ATOM 0 H62 DA A 8 -0.501 -8.250 -3.167 1.00 0.48 H new ATOM 0 H2 DA A 8 -4.521 -6.454 -0.274 1.00 0.52 H new ATOM 258 P DG A 9 -0.673 -6.043 7.315 1.00 1.10 P ATOM 259 OP1 DG A 9 -0.690 -7.320 8.073 1.00 1.30 O ATOM 260 OP2 DG A 9 -1.641 -4.993 7.719 1.00 1.37 O ATOM 261 O5' DG A 9 0.805 -5.435 7.361 1.00 0.90 O ATOM 262 C5' DG A 9 1.047 -4.039 7.211 1.00 0.86 C ATOM 263 C4' DG A 9 2.534 -3.750 7.237 1.00 0.72 C ATOM 264 O4' DG A 9 3.149 -4.279 6.028 1.00 0.59 O ATOM 265 C3' DG A 9 2.906 -2.265 7.259 1.00 0.73 C ATOM 266 O3' DG A 9 4.134 -2.078 7.995 1.00 0.77 O ATOM 267 C2' DG A 9 3.093 -1.966 5.783 1.00 0.63 C ATOM 268 C1' DG A 9 3.788 -3.227 5.322 1.00 0.50 C ATOM 269 N9 DG A 9 3.690 -3.496 3.880 1.00 0.42 N ATOM 270 C8 DG A 9 4.726 -3.772 3.022 1.00 0.43 C ATOM 271 N7 DG A 9 4.336 -3.957 1.792 1.00 0.39 N ATOM 272 C5 DG A 9 2.964 -3.796 1.832 1.00 0.34 C ATOM 273 C6 DG A 9 1.998 -3.880 0.787 1.00 0.34 C ATOM 274 O6 DG A 9 2.191 -4.107 -0.417 1.00 0.39 O ATOM 275 N1 DG A 9 0.702 -3.652 1.263 1.00 0.33 N ATOM 276 C2 DG A 9 0.388 -3.374 2.584 1.00 0.34 C ATOM 277 N2 DG A 9 -0.907 -3.205 2.871 1.00 0.37 N ATOM 278 N3 DG A 9 1.286 -3.289 3.559 1.00 0.35 N ATOM 279 C4 DG A 9 2.546 -3.510 3.117 1.00 0.35 C ATOM 0 H5' DG A 9 0.550 -3.490 8.011 1.00 0.86 H new ATOM 0 H5'' DG A 9 0.619 -3.689 6.271 1.00 0.86 H new ATOM 0 H4' DG A 9 2.884 -4.211 8.161 1.00 0.72 H new ATOM 0 H3' DG A 9 2.171 -1.618 7.739 1.00 0.73 H new ATOM 0 H2' DG A 9 2.144 -1.807 5.271 1.00 0.63 H new ATOM 0 H2'' DG A 9 3.699 -1.076 5.616 1.00 0.63 H new ATOM 0 H1' DG A 9 4.856 -3.128 5.517 1.00 0.50 H new ATOM 0 H8 DG A 9 5.758 -3.830 3.334 1.00 0.43 H new ATOM 0 H1 DG A 9 -0.065 -3.693 0.591 1.00 0.33 H new ATOM 0 H21 DG A 9 -1.195 -2.998 3.828 1.00 0.37 H new ATOM 0 H22 DG A 9 -1.607 -3.283 2.133 1.00 0.37 H new ATOM 291 P DG A 10 4.910 -0.664 7.979 1.00 0.81 P ATOM 292 OP1 DG A 10 5.700 -0.535 9.230 1.00 0.96 O ATOM 293 OP2 DG A 10 3.939 0.415 7.666 1.00 1.06 O ATOM 294 O5' DG A 10 5.916 -0.841 6.749 1.00 0.64 O ATOM 295 C5' DG A 10 6.250 0.251 5.899 1.00 0.61 C ATOM 296 C4' DG A 10 7.492 -0.057 5.090 1.00 0.53 C ATOM 297 O4' DG A 10 7.109 -0.627 3.804 1.00 0.43 O ATOM 298 C3' DG A 10 8.340 1.168 4.735 1.00 0.56 C ATOM 299 O3' DG A 10 9.728 0.802 4.614 1.00 0.68 O ATOM 300 C2' DG A 10 7.779 1.544 3.384 1.00 0.44 C ATOM 301 C1' DG A 10 7.653 0.183 2.774 1.00 0.41 C ATOM 302 N9 DG A 10 6.792 0.106 1.582 1.00 0.37 N ATOM 303 C8 DG A 10 7.225 0.084 0.279 1.00 0.40 C ATOM 304 N7 DG A 10 6.256 0.037 -0.584 1.00 0.40 N ATOM 305 C5 DG A 10 5.109 0.027 0.181 1.00 0.37 C ATOM 306 C6 DG A 10 3.749 -0.017 -0.224 1.00 0.40 C ATOM 307 O6 DG A 10 3.304 -0.056 -1.375 1.00 0.46 O ATOM 308 N1 DG A 10 2.881 -0.012 0.871 1.00 0.39 N ATOM 309 C2 DG A 10 3.283 0.032 2.193 1.00 0.37 C ATOM 310 N2 DG A 10 2.309 0.028 3.118 1.00 0.41 N ATOM 311 N3 DG A 10 4.557 0.074 2.581 1.00 0.35 N ATOM 312 C4 DG A 10 5.414 0.069 1.528 1.00 0.35 C ATOM 0 H5' DG A 10 6.414 1.147 6.498 1.00 0.61 H new ATOM 0 H5'' DG A 10 5.417 0.464 5.228 1.00 0.61 H new ATOM 0 H4' DG A 10 8.072 -0.727 5.725 1.00 0.53 H new ATOM 0 H3' DG A 10 8.302 1.967 5.476 1.00 0.56 H new ATOM 0 H2' DG A 10 6.821 2.059 3.458 1.00 0.44 H new ATOM 0 H2'' DG A 10 8.448 2.194 2.820 1.00 0.44 H new ATOM 0 H1' DG A 10 8.632 -0.134 2.415 1.00 0.41 H new ATOM 0 H8 DG A 10 8.268 0.104 -0.000 1.00 0.40 H new ATOM 0 H1 DG A 10 1.879 -0.043 0.681 1.00 0.39 H new ATOM 0 H21 DG A 10 2.547 0.059 4.109 1.00 0.41 H new ATOM 0 H22 DG A 10 1.331 -0.006 2.829 1.00 0.41 H new ATOM 324 P DG A 11 10.873 1.936 4.651 1.00 0.83 P ATOM 325 OP1 DG A 11 12.201 1.285 4.500 1.00 1.01 O ATOM 326 OP2 DG A 11 10.661 2.789 5.847 1.00 1.04 O ATOM 327 O5' DG A 11 10.563 2.790 3.340 1.00 0.76 O ATOM 328 C5' DG A 11 11.142 2.458 2.083 1.00 0.69 C ATOM 329 C4' DG A 11 10.600 3.346 0.981 1.00 0.48 C ATOM 330 O4' DG A 11 9.266 2.932 0.625 1.00 0.42 O ATOM 331 C3' DG A 11 10.460 4.824 1.363 1.00 0.51 C ATOM 332 O3' DG A 11 11.484 5.606 0.718 1.00 0.64 O ATOM 333 C2' DG A 11 9.071 5.229 0.852 1.00 0.31 C ATOM 334 C1' DG A 11 8.632 4.033 0.025 1.00 0.32 C ATOM 335 N9 DG A 11 7.181 3.786 0.002 1.00 0.32 N ATOM 336 C8 DG A 11 6.335 3.695 1.083 1.00 0.34 C ATOM 337 N7 DG A 11 5.098 3.468 0.750 1.00 0.37 N ATOM 338 C5 DG A 11 5.118 3.414 -0.630 1.00 0.37 C ATOM 339 C6 DG A 11 4.052 3.208 -1.545 1.00 0.41 C ATOM 340 O6 DG A 11 2.868 3.012 -1.286 1.00 0.47 O ATOM 341 N1 DG A 11 4.489 3.244 -2.874 1.00 0.41 N ATOM 342 C2 DG A 11 5.801 3.441 -3.264 1.00 0.39 C ATOM 343 N2 DG A 11 6.045 3.449 -4.587 1.00 0.43 N ATOM 344 N3 DG A 11 6.808 3.629 -2.408 1.00 0.35 N ATOM 345 C4 DG A 11 6.396 3.608 -1.114 1.00 0.34 C ATOM 0 H5' DG A 11 10.935 1.414 1.848 1.00 0.69 H new ATOM 0 H5'' DG A 11 12.225 2.563 2.139 1.00 0.69 H new ATOM 0 H4' DG A 11 11.328 3.246 0.176 1.00 0.48 H new ATOM 0 H3' DG A 11 10.567 4.988 2.435 1.00 0.51 H new ATOM 0 H2' DG A 11 8.382 5.423 1.674 1.00 0.31 H new ATOM 0 H2'' DG A 11 9.114 6.138 0.252 1.00 0.31 H new ATOM 0 H1' DG A 11 8.899 4.212 -1.016 1.00 0.32 H new ATOM 0 H8 DG A 11 6.665 3.801 2.106 1.00 0.34 H new ATOM 0 H1 DG A 11 3.791 3.116 -3.606 1.00 0.41 H new ATOM 0 H21 DG A 11 6.995 3.590 -4.929 1.00 0.43 H new ATOM 0 H22 DG A 11 5.280 3.314 -5.248 1.00 0.43 H new ATOM 357 P DT A 12 12.490 6.527 1.583 1.00 1.05 P ATOM 358 OP1 DT A 12 13.881 6.050 1.371 1.00 1.53 O ATOM 359 OP2 DT A 12 12.001 6.607 2.982 1.00 1.54 O ATOM 360 O5' DT A 12 12.328 7.958 0.895 1.00 1.26 O ATOM 361 C5' DT A 12 11.182 8.780 1.120 1.00 1.08 C ATOM 362 C4' DT A 12 10.500 9.105 -0.191 1.00 1.03 C ATOM 363 O4' DT A 12 9.695 7.992 -0.606 1.00 0.88 O ATOM 364 C3' DT A 12 9.512 10.260 -0.148 1.00 1.03 C ATOM 365 O3' DT A 12 10.199 11.512 -0.313 1.00 1.24 O ATOM 366 C2' DT A 12 8.606 9.970 -1.340 1.00 0.93 C ATOM 367 C1' DT A 12 8.730 8.457 -1.534 1.00 0.82 C ATOM 368 N1 DT A 12 7.473 7.724 -1.318 1.00 0.62 N ATOM 369 C2 DT A 12 6.839 7.221 -2.433 1.00 0.64 C ATOM 370 O2 DT A 12 7.324 7.289 -3.547 1.00 0.79 O ATOM 371 N3 DT A 12 5.622 6.617 -2.192 1.00 0.58 N ATOM 372 C4 DT A 12 5.004 6.463 -0.962 1.00 0.48 C ATOM 373 O4 DT A 12 3.908 5.909 -0.894 1.00 0.53 O ATOM 374 C5 DT A 12 5.735 7.002 0.174 1.00 0.43 C ATOM 375 C7 DT A 12 5.151 6.855 1.543 1.00 0.44 C ATOM 376 C6 DT A 12 6.919 7.603 -0.052 1.00 0.53 C ATOM 0 H5' DT A 12 11.480 9.701 1.620 1.00 1.08 H new ATOM 0 H5'' DT A 12 10.484 8.269 1.783 1.00 1.08 H new ATOM 0 H4' DT A 12 11.329 9.357 -0.852 1.00 1.03 H new ATOM 0 H3' DT A 12 8.969 10.340 0.794 1.00 1.03 H new ATOM 0 H2' DT A 12 7.576 10.264 -1.140 1.00 0.93 H new ATOM 0 H2'' DT A 12 8.927 10.515 -2.228 1.00 0.93 H new ATOM 0 H1' DT A 12 9.014 8.276 -2.571 1.00 0.82 H new ATOM 0 H3 DT A 12 5.127 6.246 -3.003 1.00 0.58 H new ATOM 0 H71 DT A 12 5.955 6.795 2.277 1.00 0.44 H new ATOM 0 H72 DT A 12 4.521 7.717 1.764 1.00 0.44 H new ATOM 0 H73 DT A 12 4.551 5.946 1.587 1.00 0.44 H new ATOM 0 H6 DT A 12 7.461 8.009 0.790 1.00 0.53 H new ATOM 389 P DT A 13 9.368 12.877 -0.516 1.00 1.17 P ATOM 390 OP1 DT A 13 8.978 13.002 -1.945 1.00 1.40 O ATOM 391 OP2 DT A 13 10.141 13.994 0.082 1.00 1.48 O ATOM 392 O5' DT A 13 8.056 12.623 0.358 1.00 0.87 O ATOM 393 C5' DT A 13 7.540 13.640 1.204 1.00 0.79 C ATOM 394 C4' DT A 13 6.172 13.278 1.745 1.00 0.64 C ATOM 395 O4' DT A 13 5.173 13.806 0.847 1.00 0.58 O ATOM 396 C3' DT A 13 5.886 11.781 1.883 1.00 0.64 C ATOM 397 O3' DT A 13 5.125 11.513 3.079 1.00 0.86 O ATOM 398 C2' DT A 13 5.067 11.468 0.651 1.00 0.59 C ATOM 399 C1' DT A 13 4.321 12.779 0.398 1.00 0.63 C ATOM 400 N1 DT A 13 3.974 13.054 -1.011 1.00 0.75 N ATOM 401 C2 DT A 13 2.908 13.906 -1.270 1.00 0.99 C ATOM 402 O2 DT A 13 2.264 14.454 -0.390 1.00 1.09 O ATOM 403 N3 DT A 13 2.624 14.091 -2.609 1.00 1.23 N ATOM 404 C4 DT A 13 3.281 13.513 -3.685 1.00 1.30 C ATOM 405 O4 DT A 13 2.937 13.782 -4.838 1.00 1.59 O ATOM 406 C5 DT A 13 4.375 12.624 -3.338 1.00 1.08 C ATOM 407 C7 DT A 13 5.069 11.893 -4.439 1.00 1.27 C ATOM 408 C6 DT A 13 4.679 12.452 -2.036 1.00 0.80 C ATOM 0 H5' DT A 13 7.476 14.577 0.650 1.00 0.79 H new ATOM 0 H5'' DT A 13 8.227 13.807 2.034 1.00 0.79 H new ATOM 0 H4' DT A 13 6.145 13.700 2.750 1.00 0.64 H new ATOM 0 H3' DT A 13 6.792 11.180 1.961 1.00 0.64 H new ATOM 0 H2' DT A 13 5.697 11.192 -0.194 1.00 0.59 H new ATOM 0 H2'' DT A 13 4.381 10.638 0.821 1.00 0.59 H new ATOM 0 H1' DT A 13 3.367 12.714 0.920 1.00 0.63 H new ATOM 0 H3 DT A 13 1.850 14.718 -2.829 1.00 1.23 H new ATOM 0 H71 DT A 13 4.368 11.710 -5.253 1.00 1.27 H new ATOM 0 H72 DT A 13 5.902 12.493 -4.806 1.00 1.27 H new ATOM 0 H73 DT A 13 5.445 10.941 -4.063 1.00 1.27 H new ATOM 0 H6 DT A 13 5.512 11.814 -1.782 1.00 0.80 H new ATOM 421 P DA A 14 5.265 10.093 3.838 1.00 0.94 P ATOM 422 OP1 DA A 14 5.418 10.339 5.296 1.00 1.21 O ATOM 423 OP2 DA A 14 6.318 9.290 3.169 1.00 0.88 O ATOM 424 O5' DA A 14 3.842 9.407 3.575 1.00 0.96 O ATOM 425 C5' DA A 14 2.669 9.849 4.256 1.00 1.15 C ATOM 426 C4' DA A 14 1.790 8.686 4.676 1.00 1.23 C ATOM 427 O4' DA A 14 0.783 8.457 3.669 1.00 1.15 O ATOM 428 C3' DA A 14 2.501 7.334 4.867 1.00 1.26 C ATOM 429 O3' DA A 14 2.352 6.896 6.235 1.00 1.44 O ATOM 430 C2' DA A 14 1.773 6.393 3.903 1.00 1.26 C ATOM 431 C1' DA A 14 0.452 7.094 3.689 1.00 1.19 C ATOM 432 N9 DA A 14 -0.224 6.757 2.433 1.00 1.03 N ATOM 433 C8 DA A 14 0.354 6.364 1.254 1.00 0.85 C ATOM 434 N7 DA A 14 -0.506 6.141 0.290 1.00 0.77 N ATOM 435 C5 DA A 14 -1.738 6.404 0.874 1.00 0.93 C ATOM 436 C6 DA A 14 -3.063 6.356 0.376 1.00 1.04 C ATOM 437 N6 DA A 14 -3.371 6.032 -0.880 1.00 0.98 N ATOM 438 N1 DA A 14 -4.071 6.679 1.227 1.00 1.28 N ATOM 439 C2 DA A 14 -3.759 7.028 2.488 1.00 1.40 C ATOM 440 N3 DA A 14 -2.556 7.114 3.069 1.00 1.33 N ATOM 441 C4 DA A 14 -1.577 6.785 2.200 1.00 1.09 C ATOM 0 H5' DA A 14 2.102 10.517 3.608 1.00 1.15 H new ATOM 0 H5'' DA A 14 2.955 10.425 5.136 1.00 1.15 H new ATOM 0 H4' DA A 14 1.399 8.994 5.646 1.00 1.23 H new ATOM 0 H3' DA A 14 3.572 7.375 4.668 1.00 1.26 H new ATOM 0 H2' DA A 14 2.321 6.267 2.969 1.00 1.26 H new ATOM 0 H2'' DA A 14 1.640 5.399 4.331 1.00 1.26 H new ATOM 0 H1' DA A 14 -0.245 6.796 4.472 1.00 1.19 H new ATOM 0 H8 DA A 14 1.421 6.249 1.130 1.00 0.85 H new ATOM 0 H61 DA A 14 -4.346 6.015 -1.178 1.00 0.98 H new ATOM 0 H62 DA A 14 -2.631 5.801 -1.543 1.00 0.98 H new ATOM 0 H2 DA A 14 -4.598 7.274 3.122 1.00 1.40 H new HETATM 453 P BGM A 15 2.807 5.416 6.704 1.00 1.41 P HETATM 454 OP1 BGM A 15 3.362 5.496 8.080 1.00 1.62 O HETATM 455 OP2 BGM A 15 3.662 4.808 5.653 1.00 1.42 O HETATM 456 O5' BGM A 15 1.417 4.631 6.752 1.00 1.23 O HETATM 457 C5' BGM A 15 0.335 5.096 7.553 1.00 1.21 C HETATM 458 C4' BGM A 15 -0.934 4.314 7.274 1.00 0.97 C HETATM 459 O4' BGM A 15 -1.327 4.500 5.886 1.00 0.93 O HETATM 460 C1' BGM A 15 -1.774 3.262 5.384 1.00 0.78 C HETATM 461 N9 BGM A 15 -1.693 3.282 3.912 1.00 0.75 N HETATM 462 C8 BGM A 15 -2.741 3.226 3.024 1.00 0.78 C HETATM 463 N7 BGM A 15 -2.380 3.171 1.778 1.00 0.73 N HETATM 464 C5 BGM A 15 -0.997 3.200 1.828 1.00 0.66 C HETATM 465 C4 BGM A 15 -0.550 3.273 3.139 1.00 0.68 C HETATM 466 N3 BGM A 15 0.731 3.325 3.584 1.00 0.65 N HETATM 467 C2 BGM A 15 1.614 3.301 2.586 1.00 0.60 C HETATM 468 N2 BGM A 15 2.927 3.371 2.859 1.00 0.59 N HETATM 469 N1 BGM A 15 1.267 3.225 1.251 1.00 0.58 N HETATM 470 C6 BGM A 15 -0.044 3.168 0.772 1.00 0.60 C HETATM 471 O6 BGM A 15 -0.258 3.096 -0.438 1.00 0.59 O HETATM 472 C2' BGM A 15 -0.889 2.242 6.060 1.00 0.76 C HETATM 473 C3' BGM A 15 -0.820 2.792 7.476 1.00 0.83 C HETATM 474 O3' BGM A 15 -1.931 2.308 8.258 1.00 0.71 O HETATM 475 BR BGM A 15 -4.567 3.248 3.548 1.00 0.85 BR HETATM 0 H5'' BGM A 15 0.596 5.006 8.608 1.00 1.21 H new HETATM 0 H2'' BGM A 15 -1.319 1.241 6.029 1.00 0.76 H new HETATM 0 H5' BGM A 15 0.163 6.154 7.357 1.00 1.21 H new HETATM 0 H4' BGM A 15 -1.655 4.702 7.993 1.00 0.97 H new HETATM 0 H3' BGM A 15 0.086 2.496 8.005 1.00 0.83 H new HETATM 0 H22 BGM A 15 3.608 3.353 2.099 1.00 0.59 H new HETATM 0 H21 BGM A 15 3.244 3.442 3.826 1.00 0.59 H new HETATM 0 H2' BGM A 15 0.095 2.180 5.595 1.00 0.76 H new HETATM 0 H1' BGM A 15 -2.817 3.026 5.596 1.00 0.78 H new HETATM 0 H1 BGM A 15 2.022 3.209 0.566 1.00 0.58 H new ATOM 486 P DG A 16 -1.986 0.767 8.741 1.00 0.66 P ATOM 487 OP1 DG A 16 -2.726 0.693 10.028 1.00 0.82 O ATOM 488 OP2 DG A 16 -0.613 0.204 8.708 1.00 0.71 O ATOM 489 O5' DG A 16 -2.862 0.069 7.600 1.00 0.56 O ATOM 490 C5' DG A 16 -4.261 0.328 7.475 1.00 0.52 C ATOM 491 C4' DG A 16 -4.772 -0.035 6.092 1.00 0.45 C ATOM 492 O4' DG A 16 -3.871 0.468 5.094 1.00 0.47 O ATOM 493 C3' DG A 16 -4.886 -1.534 5.802 1.00 0.45 C ATOM 494 O3' DG A 16 -6.259 -1.959 5.926 1.00 0.50 O ATOM 495 C2' DG A 16 -4.407 -1.686 4.352 1.00 0.46 C ATOM 496 C1' DG A 16 -4.065 -0.270 3.911 1.00 0.43 C ATOM 497 N9 DG A 16 -2.847 -0.175 3.095 1.00 0.43 N ATOM 498 C8 DG A 16 -1.551 -0.127 3.551 1.00 0.47 C ATOM 499 N7 DG A 16 -0.670 -0.088 2.593 1.00 0.49 N ATOM 500 C5 DG A 16 -1.424 -0.111 1.433 1.00 0.45 C ATOM 501 C6 DG A 16 -1.007 -0.092 0.077 1.00 0.48 C ATOM 502 O6 DG A 16 0.144 -0.048 -0.358 1.00 0.54 O ATOM 503 N1 DG A 16 -2.092 -0.130 -0.805 1.00 0.47 N ATOM 504 C2 DG A 16 -3.418 -0.178 -0.422 1.00 0.43 C ATOM 505 N2 DG A 16 -4.336 -0.210 -1.409 1.00 0.47 N ATOM 506 N3 DG A 16 -3.818 -0.197 0.852 1.00 0.42 N ATOM 507 C4 DG A 16 -2.773 -0.163 1.721 1.00 0.42 C ATOM 0 H5' DG A 16 -4.456 1.382 7.671 1.00 0.52 H new ATOM 0 H5'' DG A 16 -4.806 -0.242 8.227 1.00 0.52 H new ATOM 0 H4' DG A 16 -5.770 0.402 6.063 1.00 0.45 H new ATOM 0 H3' DG A 16 -4.301 -2.140 6.495 1.00 0.45 H new ATOM 0 H2' DG A 16 -3.539 -2.342 4.288 1.00 0.46 H new ATOM 0 H2'' DG A 16 -5.183 -2.121 3.722 1.00 0.46 H new ATOM 0 H1' DG A 16 -4.875 0.103 3.284 1.00 0.43 H new ATOM 0 H8 DG A 16 -1.290 -0.122 4.599 1.00 0.47 H new ATOM 0 H1 DG A 16 -1.889 -0.122 -1.805 1.00 0.47 H new ATOM 0 H21 DG A 16 -5.329 -0.246 -1.181 1.00 0.47 H new ATOM 0 H22 DG A 16 -4.037 -0.198 -2.384 1.00 0.47 H new ATOM 519 P DG A 17 -6.686 -3.488 5.619 1.00 0.62 P ATOM 520 OP1 DG A 17 -7.880 -3.826 6.438 1.00 0.83 O ATOM 521 OP2 DG A 17 -5.492 -4.359 5.756 1.00 0.79 O ATOM 522 O5' DG A 17 -7.118 -3.433 4.079 1.00 0.53 O ATOM 523 C5' DG A 17 -8.100 -2.506 3.622 1.00 0.41 C ATOM 524 C4' DG A 17 -8.175 -2.470 2.107 1.00 0.38 C ATOM 525 O4' DG A 17 -6.862 -2.196 1.565 1.00 0.39 O ATOM 526 C3' DG A 17 -8.639 -3.772 1.447 1.00 0.46 C ATOM 527 O3' DG A 17 -9.693 -3.499 0.503 1.00 0.57 O ATOM 528 C2' DG A 17 -7.407 -4.297 0.735 1.00 0.41 C ATOM 529 C1' DG A 17 -6.636 -3.031 0.448 1.00 0.38 C ATOM 530 N9 DG A 17 -5.197 -3.240 0.309 1.00 0.36 N ATOM 531 C8 DG A 17 -4.301 -3.402 1.330 1.00 0.35 C ATOM 532 N7 DG A 17 -3.080 -3.569 0.919 1.00 0.33 N ATOM 533 C5 DG A 17 -3.168 -3.521 -0.459 1.00 0.32 C ATOM 534 C6 DG A 17 -2.150 -3.646 -1.444 1.00 0.33 C ATOM 535 O6 DG A 17 -0.941 -3.824 -1.267 1.00 0.32 O ATOM 536 N1 DG A 17 -2.668 -3.541 -2.739 1.00 0.37 N ATOM 537 C2 DG A 17 -4.004 -3.341 -3.039 1.00 0.40 C ATOM 538 N2 DG A 17 -4.326 -3.281 -4.341 1.00 0.46 N ATOM 539 N3 DG A 17 -4.960 -3.220 -2.120 1.00 0.38 N ATOM 540 C4 DG A 17 -4.475 -3.320 -0.858 1.00 0.35 C ATOM 0 H5' DG A 17 -7.864 -1.511 3.999 1.00 0.41 H new ATOM 0 H5'' DG A 17 -9.074 -2.778 4.028 1.00 0.41 H new ATOM 0 H4' DG A 17 -8.913 -1.698 1.889 1.00 0.38 H new ATOM 0 H3' DG A 17 -9.036 -4.490 2.165 1.00 0.46 H new ATOM 0 H2' DG A 17 -6.839 -4.986 1.360 1.00 0.41 H new ATOM 0 H2'' DG A 17 -7.663 -4.833 -0.179 1.00 0.41 H new ATOM 0 H1' DG A 17 -6.973 -2.613 -0.500 1.00 0.38 H new ATOM 0 H8 DG A 17 -4.581 -3.392 2.373 1.00 0.35 H new ATOM 0 H1 DG A 17 -2.014 -3.617 -3.518 1.00 0.37 H new ATOM 0 H21 DG A 17 -5.296 -3.135 -4.620 1.00 0.46 H new ATOM 0 H22 DG A 17 -3.600 -3.381 -5.051 1.00 0.46 H new ATOM 552 P DT A 18 -10.907 -4.540 0.296 1.00 0.85 P ATOM 553 OP1 DT A 18 -10.436 -5.910 0.625 1.00 1.08 O ATOM 554 OP2 DT A 18 -11.496 -4.322 -1.049 1.00 0.96 O ATOM 555 O5' DT A 18 -11.956 -4.073 1.402 1.00 1.04 O ATOM 556 C5' DT A 18 -11.543 -3.791 2.732 1.00 1.03 C ATOM 557 C4' DT A 18 -12.728 -3.708 3.662 1.00 1.02 C ATOM 558 O4' DT A 18 -12.256 -3.344 4.987 1.00 1.04 O ATOM 559 C3' DT A 18 -13.763 -2.645 3.290 1.00 1.06 C ATOM 560 O3' DT A 18 -15.075 -3.059 3.722 1.00 1.32 O ATOM 561 C2' DT A 18 -13.299 -1.451 4.104 1.00 0.94 C ATOM 562 C1' DT A 18 -12.854 -2.123 5.387 1.00 1.03 C ATOM 563 N1 DT A 18 -11.880 -1.357 6.187 1.00 1.03 N ATOM 564 C2 DT A 18 -12.205 -1.068 7.505 1.00 1.31 C ATOM 565 O2 DT A 18 -13.251 -1.422 8.026 1.00 1.53 O ATOM 566 N3 DT A 18 -11.255 -0.345 8.193 1.00 1.41 N ATOM 567 C4 DT A 18 -10.039 0.106 7.702 1.00 1.28 C ATOM 568 O4 DT A 18 -9.285 0.743 8.433 1.00 1.47 O ATOM 569 C5 DT A 18 -9.762 -0.233 6.315 1.00 0.97 C ATOM 570 C7 DT A 18 -8.468 0.213 5.711 1.00 0.91 C ATOM 571 C6 DT A 18 -10.682 -0.938 5.630 1.00 0.85 C ATOM 0 H5' DT A 18 -10.993 -2.850 2.754 1.00 1.03 H new ATOM 0 H5'' DT A 18 -10.860 -4.567 3.076 1.00 1.03 H new ATOM 0 H4' DT A 18 -13.205 -4.687 3.605 1.00 1.02 H new ATOM 0 H3' DT A 18 -13.835 -2.451 2.220 1.00 1.06 H new ATOM 0 H2' DT A 18 -12.485 -0.913 3.618 1.00 0.94 H new ATOM 0 H2'' DT A 18 -14.100 -0.732 4.273 1.00 0.94 H new ATOM 0 H1' DT A 18 -13.724 -2.235 6.034 1.00 1.03 H new ATOM 0 H3 DT A 18 -11.468 -0.118 9.164 1.00 1.41 H new ATOM 0 H71 DT A 18 -8.147 1.141 6.184 1.00 0.91 H new ATOM 0 H72 DT A 18 -7.710 -0.555 5.867 1.00 0.91 H new ATOM 0 H73 DT A 18 -8.603 0.378 4.642 1.00 0.91 H new ATOM 0 H6 DT A 18 -10.477 -1.188 4.600 1.00 0.85 H new ATOM 584 P DT A 19 -16.118 -3.738 2.697 1.00 1.61 P ATOM 585 OP1 DT A 19 -16.831 -4.839 3.396 1.00 1.87 O ATOM 586 OP2 DT A 19 -15.412 -4.070 1.435 1.00 1.98 O ATOM 587 O5' DT A 19 -17.152 -2.548 2.422 1.00 1.57 O ATOM 588 C5' DT A 19 -17.159 -1.360 3.215 1.00 1.51 C ATOM 589 C4' DT A 19 -16.803 -0.151 2.375 1.00 1.38 C ATOM 590 O4' DT A 19 -16.056 0.786 3.188 1.00 1.41 O ATOM 591 C3' DT A 19 -15.913 -0.455 1.164 1.00 1.26 C ATOM 592 O3' DT A 19 -16.532 -0.005 -0.050 1.00 1.45 O ATOM 593 C2' DT A 19 -14.632 0.322 1.427 1.00 1.13 C ATOM 594 C1' DT A 19 -15.070 1.402 2.387 1.00 1.21 C ATOM 595 N1 DT A 19 -13.988 1.917 3.262 1.00 1.12 N ATOM 596 C2 DT A 19 -14.327 2.698 4.365 1.00 1.37 C ATOM 597 O2 DT A 19 -15.477 2.986 4.655 1.00 1.64 O ATOM 598 N3 DT A 19 -13.255 3.136 5.115 1.00 1.40 N ATOM 599 C4 DT A 19 -11.911 2.881 4.878 1.00 1.19 C ATOM 600 O4 DT A 19 -11.060 3.339 5.637 1.00 1.33 O ATOM 601 C5 DT A 19 -11.629 2.064 3.709 1.00 0.89 C ATOM 602 C7 DT A 19 -10.208 1.743 3.367 1.00 0.73 C ATOM 603 C6 DT A 19 -12.661 1.627 2.968 1.00 0.89 C ATOM 0 H5' DT A 19 -16.448 -1.461 4.035 1.00 1.51 H new ATOM 0 H5'' DT A 19 -18.144 -1.221 3.662 1.00 1.51 H new ATOM 0 H4' DT A 19 -17.756 0.236 2.014 1.00 1.38 H new ATOM 0 H3' DT A 19 -15.736 -1.524 1.042 1.00 1.26 H new ATOM 0 H2' DT A 19 -13.859 -0.312 1.861 1.00 1.13 H new ATOM 0 H2'' DT A 19 -14.221 0.742 0.509 1.00 1.13 H new ATOM 0 H1' DT A 19 -15.416 2.269 1.825 1.00 1.21 H new ATOM 0 H3 DT A 19 -13.473 3.708 5.931 1.00 1.40 H new ATOM 0 H71 DT A 19 -10.164 0.775 2.867 1.00 0.73 H new ATOM 0 H72 DT A 19 -9.811 2.512 2.705 1.00 0.73 H new ATOM 0 H73 DT A 19 -9.613 1.708 4.280 1.00 0.73 H new ATOM 0 H6 DT A 19 -12.449 1.020 2.100 1.00 0.89 H new ATOM 616 P DA A 20 -16.008 -0.573 -1.463 1.00 1.68 P ATOM 617 OP1 DA A 20 -16.749 0.103 -2.559 1.00 2.17 O ATOM 618 OP2 DA A 20 -16.040 -2.056 -1.424 1.00 2.15 O ATOM 619 O5' DA A 20 -14.489 -0.076 -1.484 1.00 1.18 O ATOM 620 C5' DA A 20 -13.386 -0.976 -1.336 1.00 1.04 C ATOM 621 C4' DA A 20 -12.134 -0.424 -2.010 1.00 0.91 C ATOM 622 O4' DA A 20 -12.512 0.380 -3.164 1.00 1.16 O ATOM 623 C3' DA A 20 -11.286 0.520 -1.161 1.00 0.64 C ATOM 624 O3' DA A 20 -9.929 0.560 -1.664 1.00 0.75 O ATOM 625 C2' DA A 20 -11.987 1.844 -1.392 1.00 0.87 C ATOM 626 C1' DA A 20 -12.303 1.763 -2.880 1.00 1.13 C ATOM 627 N9 DA A 20 -13.501 2.512 -3.298 1.00 1.60 N ATOM 628 C8 DA A 20 -14.625 2.795 -2.555 1.00 1.69 C ATOM 629 N7 DA A 20 -15.531 3.483 -3.205 1.00 2.22 N ATOM 630 C5 DA A 20 -14.974 3.670 -4.462 1.00 2.59 C ATOM 631 C6 DA A 20 -15.439 4.330 -5.627 1.00 3.33 C ATOM 632 N6 DA A 20 -16.622 4.945 -5.709 1.00 3.75 N ATOM 633 N1 DA A 20 -14.631 4.334 -6.718 1.00 3.70 N ATOM 634 C2 DA A 20 -13.439 3.714 -6.634 1.00 3.34 C ATOM 635 N3 DA A 20 -12.894 3.064 -5.600 1.00 2.61 N ATOM 636 C4 DA A 20 -13.720 3.077 -4.532 1.00 2.24 C ATOM 0 H5' DA A 20 -13.641 -1.943 -1.770 1.00 1.04 H new ATOM 0 H5'' DA A 20 -13.189 -1.144 -0.277 1.00 1.04 H new ATOM 0 H4' DA A 20 -11.553 -1.318 -2.237 1.00 0.91 H new ATOM 0 H3' DA A 20 -11.206 0.239 -0.111 1.00 0.64 H new ATOM 0 H2' DA A 20 -12.888 1.943 -0.786 1.00 0.87 H new ATOM 0 H2'' DA A 20 -11.348 2.694 -1.154 1.00 0.87 H new ATOM 0 H1' DA A 20 -11.473 2.213 -3.425 1.00 1.13 H new ATOM 0 H8 DA A 20 -14.749 2.479 -1.530 1.00 1.69 H new ATOM 0 H61 DA A 20 -16.900 5.403 -6.577 1.00 3.75 H new ATOM 0 H62 DA A 20 -17.248 4.957 -4.903 1.00 3.75 H new ATOM 0 H2 DA A 20 -12.837 3.746 -7.530 1.00 3.34 H new ATOM 648 P DG A 21 -8.736 1.225 -0.801 1.00 0.82 P ATOM 649 OP1 DG A 21 -7.752 0.171 -0.444 1.00 1.09 O ATOM 650 OP2 DG A 21 -9.321 2.025 0.300 1.00 1.10 O ATOM 651 O5' DG A 21 -8.041 2.213 -1.850 1.00 0.65 O ATOM 652 C5' DG A 21 -8.678 3.403 -2.321 1.00 0.69 C ATOM 653 C4' DG A 21 -8.660 3.457 -3.835 1.00 0.49 C ATOM 654 O4' DG A 21 -7.395 4.023 -4.281 1.00 0.49 O ATOM 655 C3' DG A 21 -8.772 2.092 -4.520 1.00 0.44 C ATOM 656 O3' DG A 21 -9.608 2.174 -5.688 1.00 0.67 O ATOM 657 C2' DG A 21 -7.338 1.782 -4.907 1.00 0.35 C ATOM 658 C1' DG A 21 -6.790 3.156 -5.225 1.00 0.37 C ATOM 659 N9 DG A 21 -5.322 3.271 -5.108 1.00 0.39 N ATOM 660 C8 DG A 21 -4.413 3.414 -6.135 1.00 0.38 C ATOM 661 N7 DG A 21 -3.183 3.450 -5.728 1.00 0.42 N ATOM 662 C5 DG A 21 -3.260 3.331 -4.362 1.00 0.45 C ATOM 663 C6 DG A 21 -2.221 3.315 -3.397 1.00 0.53 C ATOM 664 O6 DG A 21 -1.003 3.394 -3.595 1.00 0.55 O ATOM 665 N1 DG A 21 -2.726 3.184 -2.099 1.00 0.60 N ATOM 666 C2 DG A 21 -4.069 3.081 -1.784 1.00 0.60 C ATOM 667 N2 DG A 21 -4.379 2.984 -0.484 1.00 0.70 N ATOM 668 N3 DG A 21 -5.045 3.090 -2.688 1.00 0.52 N ATOM 669 C4 DG A 21 -4.574 3.220 -3.950 1.00 0.45 C ATOM 0 H5' DG A 21 -8.171 4.278 -1.915 1.00 0.69 H new ATOM 0 H5'' DG A 21 -9.707 3.437 -1.963 1.00 0.69 H new ATOM 0 H4' DG A 21 -9.530 4.054 -4.108 1.00 0.49 H new ATOM 0 H3' DG A 21 -9.221 1.329 -3.884 1.00 0.44 H new ATOM 0 H2' DG A 21 -6.791 1.303 -4.095 1.00 0.35 H new ATOM 0 H2'' DG A 21 -7.283 1.113 -5.766 1.00 0.35 H new ATOM 0 H1' DG A 21 -7.013 3.394 -6.265 1.00 0.37 H new ATOM 0 H8 DG A 21 -4.697 3.489 -7.174 1.00 0.38 H new ATOM 0 H1 DG A 21 -2.056 3.163 -1.330 1.00 0.60 H new ATOM 0 H21 DG A 21 -5.355 2.906 -0.197 1.00 0.70 H new ATOM 0 H22 DG A 21 -3.639 2.988 0.218 1.00 0.70 H new ATOM 681 P DG A 22 -10.169 0.826 -6.377 1.00 1.02 P ATOM 682 OP1 DG A 22 -11.241 1.186 -7.341 1.00 1.30 O ATOM 683 OP2 DG A 22 -10.504 -0.154 -5.313 1.00 1.57 O ATOM 684 O5' DG A 22 -8.903 0.297 -7.189 1.00 0.74 O ATOM 685 C5' DG A 22 -8.452 0.965 -8.361 1.00 0.76 C ATOM 686 C4' DG A 22 -7.116 0.421 -8.818 1.00 0.61 C ATOM 687 O4' DG A 22 -6.111 0.712 -7.836 1.00 0.50 O ATOM 688 C3' DG A 22 -7.060 -1.096 -9.037 1.00 0.52 C ATOM 689 O3' DG A 22 -6.831 -1.377 -10.429 1.00 0.69 O ATOM 690 C2' DG A 22 -5.875 -1.562 -8.187 1.00 0.36 C ATOM 691 C1' DG A 22 -5.118 -0.277 -7.922 1.00 0.38 C ATOM 692 N9 DG A 22 -4.363 -0.271 -6.676 1.00 0.33 N ATOM 693 C8 DG A 22 -4.891 -0.271 -5.421 1.00 0.30 C ATOM 694 N7 DG A 22 -3.987 -0.259 -4.473 1.00 0.33 N ATOM 695 C5 DG A 22 -2.783 -0.255 -5.169 1.00 0.35 C ATOM 696 C6 DG A 22 -1.445 -0.246 -4.689 1.00 0.39 C ATOM 697 O6 DG A 22 -1.062 -0.247 -3.523 1.00 0.44 O ATOM 698 N1 DG A 22 -0.515 -0.244 -5.736 1.00 0.42 N ATOM 699 C2 DG A 22 -0.842 -0.250 -7.080 1.00 0.44 C ATOM 700 N2 DG A 22 0.174 -0.251 -7.957 1.00 0.52 N ATOM 701 N3 DG A 22 -2.092 -0.259 -7.534 1.00 0.42 N ATOM 702 C4 DG A 22 -3.003 -0.261 -6.533 1.00 0.35 C ATOM 0 H5' DG A 22 -8.365 2.033 -8.164 1.00 0.76 H new ATOM 0 H5'' DG A 22 -9.188 0.847 -9.157 1.00 0.76 H new ATOM 0 H4' DG A 22 -6.950 0.907 -9.779 1.00 0.61 H new ATOM 0 H3' DG A 22 -7.985 -1.601 -8.759 1.00 0.52 H new ATOM 0 H2' DG A 22 -6.204 -2.035 -7.261 1.00 0.36 H new ATOM 0 H2'' DG A 22 -5.261 -2.290 -8.716 1.00 0.36 H new ATOM 0 H1' DG A 22 -4.383 -0.128 -8.713 1.00 0.38 H new ATOM 0 H8 DG A 22 -5.953 -0.280 -5.226 1.00 0.30 H new ATOM 0 H1 DG A 22 0.475 -0.238 -5.490 1.00 0.42 H new ATOM 0 H21 DG A 22 -0.017 -0.255 -8.959 1.00 0.52 H new ATOM 0 H22 DG A 22 1.137 -0.247 -7.622 1.00 0.52 H new ATOM 714 P DG A 23 -6.879 -2.892 -10.978 1.00 0.81 P ATOM 715 OP1 DG A 23 -7.432 -2.889 -12.357 1.00 1.08 O ATOM 716 OP2 DG A 23 -7.552 -3.750 -9.969 1.00 0.98 O ATOM 717 O5' DG A 23 -5.332 -3.280 -11.041 1.00 0.73 O ATOM 718 C5' DG A 23 -4.477 -2.754 -12.053 1.00 0.63 C ATOM 719 C4' DG A 23 -3.147 -3.480 -12.072 1.00 0.55 C ATOM 720 O4' DG A 23 -2.370 -3.088 -10.910 1.00 0.49 O ATOM 721 C3' DG A 23 -3.247 -5.008 -12.018 1.00 0.69 C ATOM 722 O3' DG A 23 -2.317 -5.599 -12.944 1.00 0.87 O ATOM 723 C2' DG A 23 -2.870 -5.340 -10.584 1.00 0.55 C ATOM 724 C1' DG A 23 -1.886 -4.239 -10.246 1.00 0.49 C ATOM 725 N9 DG A 23 -1.790 -3.945 -8.812 1.00 0.47 N ATOM 726 C8 DG A 23 -2.837 -3.815 -7.931 1.00 0.46 C ATOM 727 N7 DG A 23 -2.453 -3.591 -6.706 1.00 0.44 N ATOM 728 C5 DG A 23 -1.071 -3.573 -6.777 1.00 0.44 C ATOM 729 C6 DG A 23 -0.106 -3.379 -5.751 1.00 0.43 C ATOM 730 O6 DG A 23 -0.304 -3.189 -4.549 1.00 0.41 O ATOM 731 N1 DG A 23 1.200 -3.437 -6.246 1.00 0.46 N ATOM 732 C2 DG A 23 1.534 -3.655 -7.567 1.00 0.49 C ATOM 733 N2 DG A 23 2.849 -3.674 -7.858 1.00 0.51 N ATOM 734 N3 DG A 23 0.636 -3.840 -8.537 1.00 0.48 N ATOM 735 C4 DG A 23 -0.640 -3.788 -8.072 1.00 0.47 C ATOM 0 H5' DG A 23 -4.312 -1.691 -11.878 1.00 0.63 H new ATOM 0 H5'' DG A 23 -4.960 -2.846 -13.026 1.00 0.63 H new ATOM 0 H4' DG A 23 -2.690 -3.202 -13.022 1.00 0.55 H new ATOM 0 H3' DG A 23 -4.232 -5.386 -12.290 1.00 0.69 H new ATOM 0 H2' DG A 23 -3.736 -5.328 -9.923 1.00 0.55 H new ATOM 0 H2'' DG A 23 -2.419 -6.329 -10.501 1.00 0.55 H new ATOM 0 H1' DG A 23 -0.887 -4.549 -10.553 1.00 0.49 H new ATOM 0 H8 DG A 23 -3.874 -3.891 -8.224 1.00 0.46 H new ATOM 0 H1 DG A 23 1.963 -3.309 -5.581 1.00 0.46 H new ATOM 0 H21 DG A 23 3.157 -3.831 -8.818 1.00 0.51 H new ATOM 0 H22 DG A 23 3.537 -3.531 -7.119 1.00 0.51 H new ATOM 747 P DT A 24 -2.320 -7.190 -13.202 1.00 1.09 P ATOM 748 OP1 DT A 24 -1.700 -7.466 -14.523 1.00 1.43 O ATOM 749 OP2 DT A 24 -3.690 -7.715 -12.964 1.00 1.25 O ATOM 750 O5' DT A 24 -1.351 -7.725 -12.054 1.00 0.84 O ATOM 751 C5' DT A 24 0.021 -7.346 -12.016 1.00 0.83 C ATOM 752 C4' DT A 24 0.660 -7.740 -10.700 1.00 0.67 C ATOM 753 O4' DT A 24 0.087 -6.983 -9.631 1.00 0.51 O ATOM 754 C3' DT A 24 0.466 -9.198 -10.288 1.00 0.68 C ATOM 755 O3' DT A 24 1.619 -9.969 -10.668 1.00 0.86 O ATOM 756 C2' DT A 24 0.319 -9.143 -8.760 1.00 0.50 C ATOM 757 C1' DT A 24 0.382 -7.655 -8.429 1.00 0.42 C ATOM 758 N1 DT A 24 -0.578 -7.221 -7.407 1.00 0.35 N ATOM 759 C2 DT A 24 -0.092 -6.693 -6.220 1.00 0.35 C ATOM 760 O2 DT A 24 1.096 -6.573 -5.980 1.00 0.42 O ATOM 761 N3 DT A 24 -1.060 -6.317 -5.318 1.00 0.36 N ATOM 762 C4 DT A 24 -2.432 -6.417 -5.481 1.00 0.38 C ATOM 763 O4 DT A 24 -3.183 -6.043 -4.586 1.00 0.44 O ATOM 764 C5 DT A 24 -2.867 -6.979 -6.745 1.00 0.42 C ATOM 765 C7 DT A 24 -4.325 -7.127 -7.004 1.00 0.55 C ATOM 766 C6 DT A 24 -1.935 -7.349 -7.637 1.00 0.40 C ATOM 0 H5' DT A 24 0.108 -6.269 -12.158 1.00 0.83 H new ATOM 0 H5'' DT A 24 0.555 -7.820 -12.839 1.00 0.83 H new ATOM 0 H4' DT A 24 1.721 -7.556 -10.866 1.00 0.67 H new ATOM 0 H3' DT A 24 -0.395 -9.667 -10.764 1.00 0.68 H new ATOM 0 H2' DT A 24 -0.624 -9.583 -8.435 1.00 0.50 H new ATOM 0 H2'' DT A 24 1.117 -9.695 -8.263 1.00 0.50 H new ATOM 0 H1' DT A 24 1.368 -7.434 -8.021 1.00 0.42 H new ATOM 0 H3 DT A 24 -0.733 -5.923 -4.436 1.00 0.36 H new ATOM 0 H71 DT A 24 -4.847 -7.289 -6.061 1.00 0.55 H new ATOM 0 H72 DT A 24 -4.704 -6.222 -7.478 1.00 0.55 H new ATOM 0 H73 DT A 24 -4.493 -7.979 -7.663 1.00 0.55 H new ATOM 0 H6 DT A 24 -2.260 -7.766 -8.578 1.00 0.40 H new ATOM 779 P DT A 25 1.705 -11.541 -10.327 1.00 0.97 P ATOM 780 OP1 DT A 25 2.603 -12.201 -11.308 1.00 1.33 O ATOM 781 OP2 DT A 25 0.328 -12.081 -10.186 1.00 0.99 O ATOM 782 O5' DT A 25 2.412 -11.542 -8.897 1.00 0.83 O ATOM 783 C5' DT A 25 3.624 -10.826 -8.672 1.00 0.95 C ATOM 784 C4' DT A 25 4.260 -11.234 -7.359 1.00 0.93 C ATOM 785 O4' DT A 25 3.489 -10.677 -6.270 1.00 0.82 O ATOM 786 C3' DT A 25 4.323 -12.742 -7.117 1.00 0.95 C ATOM 787 O3' DT A 25 5.597 -13.117 -6.590 1.00 1.19 O ATOM 788 C2' DT A 25 3.220 -13.016 -6.110 1.00 0.81 C ATOM 789 C1' DT A 25 3.057 -11.691 -5.381 1.00 0.81 C ATOM 790 N1 DT A 25 1.669 -11.401 -4.994 1.00 0.75 N ATOM 791 C2 DT A 25 1.401 -11.073 -3.673 1.00 0.98 C ATOM 792 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