USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 127 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 DG O5' : rot 46:sc= 1.28 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.554 (180deg=-2.71!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl -30:sc= 0 (180deg=-0.749) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -6.940 -0.863 -0.822 1.00 0.00 O ATOM 2 C5' DG A 1 -8.003 -1.567 -0.198 1.00 0.00 C ATOM 3 C4' DG A 1 -8.556 -0.872 1.058 1.00 0.00 C ATOM 4 O4' DG A 1 -7.600 -0.984 2.096 1.00 0.00 O ATOM 5 C3' DG A 1 -8.883 0.619 0.833 1.00 0.00 C ATOM 6 O3' DG A 1 -10.221 1.017 1.179 1.00 0.00 O ATOM 7 C2' DG A 1 -7.765 1.323 1.596 1.00 0.00 C ATOM 8 C1' DG A 1 -7.311 0.293 2.627 1.00 0.00 C ATOM 9 N9 DG A 1 -5.867 0.344 2.948 1.00 0.00 N ATOM 10 C8 DG A 1 -5.321 0.381 4.206 1.00 0.00 C ATOM 11 N7 DG A 1 -4.020 0.280 4.242 1.00 0.00 N ATOM 12 C5 DG A 1 -3.677 0.167 2.880 1.00 0.00 C ATOM 13 C6 DG A 1 -2.405 0.028 2.223 1.00 0.00 C ATOM 14 O6 DG A 1 -1.279 -0.032 2.712 1.00 0.00 O ATOM 15 N1 DG A 1 -2.492 -0.046 0.848 1.00 0.00 N ATOM 16 C2 DG A 1 -3.647 0.002 0.153 1.00 0.00 C ATOM 17 N2 DG A 1 -3.584 -0.079 -1.154 1.00 0.00 N ATOM 18 N3 DG A 1 -4.848 0.127 0.712 1.00 0.00 N ATOM 19 C4 DG A 1 -4.802 0.207 2.082 1.00 0.00 C ATOM 0 H5' DG A 1 -7.656 -2.564 0.073 1.00 0.00 H new ATOM 0 H5'' DG A 1 -8.812 -1.696 -0.917 1.00 0.00 H new ATOM 0 H4' DG A 1 -9.492 -1.367 1.318 1.00 0.00 H new ATOM 0 H3' DG A 1 -8.900 0.891 -0.222 1.00 0.00 H new ATOM 0 H2' DG A 1 -6.949 1.609 0.933 1.00 0.00 H new ATOM 0 H2'' DG A 1 -8.122 2.235 2.074 1.00 0.00 H new ATOM 0 HO5' DG A 1 -6.299 -0.569 -0.142 1.00 0.00 H new ATOM 0 H1' DG A 1 -7.838 0.510 3.556 1.00 0.00 H new ATOM 0 H8 DG A 1 -5.921 0.486 5.098 1.00 0.00 H new ATOM 0 H1 DG A 1 -1.624 -0.144 0.321 1.00 0.00 H new ATOM 0 H21 DG A 1 -4.439 -0.046 -1.709 1.00 0.00 H new ATOM 0 H22 DG A 1 -2.680 -0.175 -1.616 1.00 0.00 H new ATOM 32 P DG A 2 -10.811 1.136 2.679 1.00 0.00 P ATOM 33 OP1 DG A 2 -10.365 -0.012 3.483 1.00 0.00 O ATOM 34 OP2 DG A 2 -12.253 1.460 2.568 1.00 0.00 O ATOM 35 O5' DG A 2 -10.078 2.445 3.194 1.00 0.00 O ATOM 36 C5' DG A 2 -9.963 2.743 4.571 1.00 0.00 C ATOM 37 C4' DG A 2 -9.183 4.038 4.844 1.00 0.00 C ATOM 38 O4' DG A 2 -7.790 3.734 4.821 1.00 0.00 O ATOM 39 C3' DG A 2 -9.471 5.153 3.818 1.00 0.00 C ATOM 40 O3' DG A 2 -9.863 6.435 4.324 1.00 0.00 O ATOM 41 C2' DG A 2 -8.185 5.182 3.014 1.00 0.00 C ATOM 42 C1' DG A 2 -7.130 4.691 4.006 1.00 0.00 C ATOM 43 N9 DG A 2 -5.917 4.158 3.336 1.00 0.00 N ATOM 44 C8 DG A 2 -5.723 3.806 2.015 1.00 0.00 C ATOM 45 N7 DG A 2 -4.492 3.547 1.698 1.00 0.00 N ATOM 46 C5 DG A 2 -3.803 3.739 2.892 1.00 0.00 C ATOM 47 C6 DG A 2 -2.410 3.612 3.194 1.00 0.00 C ATOM 48 O6 DG A 2 -1.480 3.295 2.453 1.00 0.00 O ATOM 49 N1 DG A 2 -2.107 3.893 4.510 1.00 0.00 N ATOM 50 C2 DG A 2 -3.025 4.252 5.433 1.00 0.00 C ATOM 51 N2 DG A 2 -2.559 4.480 6.632 1.00 0.00 N ATOM 52 N3 DG A 2 -4.329 4.385 5.206 1.00 0.00 N ATOM 53 C4 DG A 2 -4.661 4.112 3.903 1.00 0.00 C ATOM 0 H5' DG A 2 -9.467 1.914 5.076 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.960 2.829 5.003 1.00 0.00 H new ATOM 0 H4' DG A 2 -9.502 4.415 5.816 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.369 4.928 3.242 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.245 4.535 2.139 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.960 6.186 2.653 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.741 5.510 4.611 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.532 3.751 1.302 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.132 3.826 4.803 1.00 0.00 H new ATOM 0 H21 DG A 2 -3.193 4.756 7.382 1.00 0.00 H new ATOM 0 H22 DG A 2 -1.561 4.382 6.818 1.00 0.00 H new ATOM 65 P DT A 3 -9.028 7.378 5.326 1.00 0.00 P ATOM 66 OP1 DT A 3 -8.817 6.656 6.599 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.795 8.638 5.372 1.00 0.00 O ATOM 68 O5' DT A 3 -7.604 7.710 4.635 1.00 0.00 O ATOM 69 C5' DT A 3 -7.514 8.622 3.542 1.00 0.00 C ATOM 70 C4' DT A 3 -6.123 8.895 2.925 1.00 0.00 C ATOM 71 O4' DT A 3 -5.366 9.739 3.778 1.00 0.00 O ATOM 72 C3' DT A 3 -5.206 7.725 2.532 1.00 0.00 C ATOM 73 O3' DT A 3 -4.447 8.078 1.381 1.00 0.00 O ATOM 74 C2' DT A 3 -4.276 7.607 3.732 1.00 0.00 C ATOM 75 C1' DT A 3 -4.174 9.070 4.175 1.00 0.00 C ATOM 76 N1 DT A 3 -4.027 9.230 5.645 1.00 0.00 N ATOM 77 C2 DT A 3 -2.909 9.920 6.137 1.00 0.00 C ATOM 78 O2 DT A 3 -1.931 10.225 5.456 1.00 0.00 O ATOM 79 N3 DT A 3 -2.929 10.261 7.472 1.00 0.00 N ATOM 80 C4 DT A 3 -3.935 9.966 8.364 1.00 0.00 C ATOM 81 O4 DT A 3 -3.849 10.391 9.516 1.00 0.00 O ATOM 82 C5 DT A 3 -5.019 9.155 7.811 1.00 0.00 C ATOM 83 C7 DT A 3 -6.158 8.700 8.704 1.00 0.00 C ATOM 84 C6 DT A 3 -5.032 8.812 6.495 1.00 0.00 C ATOM 0 H5' DT A 3 -7.924 9.577 3.871 1.00 0.00 H new ATOM 0 H5'' DT A 3 -8.163 8.253 2.748 1.00 0.00 H new ATOM 0 H4' DT A 3 -6.418 9.334 1.972 1.00 0.00 H new ATOM 0 H3' DT A 3 -5.746 6.807 2.300 1.00 0.00 H new ATOM 0 H2' DT A 3 -4.690 6.969 4.512 1.00 0.00 H new ATOM 0 H2'' DT A 3 -3.306 7.190 3.461 1.00 0.00 H new ATOM 0 H1' DT A 3 -3.282 9.488 3.708 1.00 0.00 H new ATOM 0 H3 DT A 3 -2.127 10.778 7.831 1.00 0.00 H new ATOM 0 H71 DT A 3 -7.068 8.602 8.112 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.909 7.736 9.148 1.00 0.00 H new ATOM 0 H73 DT A 3 -6.316 9.434 9.494 1.00 0.00 H new ATOM 0 H6 DT A 3 -5.838 8.205 6.110 1.00 0.00 H new ATOM 97 P DT A 4 -3.781 6.944 0.460 1.00 0.00 P ATOM 98 OP1 DT A 4 -4.901 6.207 -0.156 1.00 0.00 O ATOM 99 OP2 DT A 4 -2.777 6.210 1.254 1.00 0.00 O ATOM 100 O5' DT A 4 -3.002 7.764 -0.685 1.00 0.00 O ATOM 101 C5' DT A 4 -2.146 7.083 -1.597 1.00 0.00 C ATOM 102 C4' DT A 4 -1.942 7.776 -2.941 1.00 0.00 C ATOM 103 O4' DT A 4 -3.236 8.089 -3.451 1.00 0.00 O ATOM 104 C3' DT A 4 -1.110 9.065 -2.833 1.00 0.00 C ATOM 105 O3' DT A 4 -0.083 9.259 -3.819 1.00 0.00 O ATOM 106 C2' DT A 4 -2.170 10.150 -2.844 1.00 0.00 C ATOM 107 C1' DT A 4 -3.347 9.491 -3.574 1.00 0.00 C ATOM 108 N1 DT A 4 -4.660 10.082 -3.177 1.00 0.00 N ATOM 109 C2 DT A 4 -5.361 10.815 -4.148 1.00 0.00 C ATOM 110 O2 DT A 4 -5.150 10.750 -5.362 1.00 0.00 O ATOM 111 N3 DT A 4 -6.321 11.694 -3.695 1.00 0.00 N ATOM 112 C4 DT A 4 -6.650 11.913 -2.380 1.00 0.00 C ATOM 113 O4 DT A 4 -7.474 12.787 -2.118 1.00 0.00 O ATOM 114 C5 DT A 4 -5.939 11.072 -1.420 1.00 0.00 C ATOM 115 C7 DT A 4 -6.183 11.242 0.066 1.00 0.00 C ATOM 116 C6 DT A 4 -4.998 10.186 -1.842 1.00 0.00 C ATOM 0 H5' DT A 4 -2.553 6.088 -1.778 1.00 0.00 H new ATOM 0 H5'' DT A 4 -1.173 6.948 -1.125 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.387 7.107 -3.599 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.493 9.051 -1.935 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.444 10.454 -1.834 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.825 11.044 -3.364 1.00 0.00 H new ATOM 0 H1' DT A 4 -3.304 9.707 -4.642 1.00 0.00 H new ATOM 0 H3 DT A 4 -6.832 12.228 -4.398 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.446 12.279 0.275 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.999 10.590 0.378 1.00 0.00 H new ATOM 0 H73 DT A 4 -5.279 10.979 0.616 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.506 9.552 -1.120 1.00 0.00 H new ATOM 129 P DG A 5 -0.243 9.072 -5.416 1.00 0.00 P ATOM 130 OP1 DG A 5 1.053 9.478 -6.012 1.00 0.00 O ATOM 131 OP2 DG A 5 -1.420 9.811 -5.888 1.00 0.00 O ATOM 132 O5' DG A 5 -0.467 7.513 -5.703 1.00 0.00 O ATOM 133 C5' DG A 5 -0.337 7.007 -7.019 1.00 0.00 C ATOM 134 C4' DG A 5 -0.555 5.495 -7.203 1.00 0.00 C ATOM 135 O4' DG A 5 0.248 4.755 -6.294 1.00 0.00 O ATOM 136 C3' DG A 5 -2.002 5.000 -7.080 1.00 0.00 C ATOM 137 O3' DG A 5 -2.340 4.352 -8.317 1.00 0.00 O ATOM 138 C2' DG A 5 -1.979 4.254 -5.744 1.00 0.00 C ATOM 139 C1' DG A 5 -0.529 3.815 -5.551 1.00 0.00 C ATOM 140 N9 DG A 5 -0.029 3.802 -4.139 1.00 0.00 N ATOM 141 C8 DG A 5 1.287 3.946 -3.794 1.00 0.00 C ATOM 142 N7 DG A 5 1.536 4.075 -2.520 1.00 0.00 N ATOM 143 C5 DG A 5 0.260 4.010 -1.953 1.00 0.00 C ATOM 144 C6 DG A 5 -0.144 4.089 -0.575 1.00 0.00 C ATOM 145 O6 DG A 5 0.581 4.232 0.417 1.00 0.00 O ATOM 146 N1 DG A 5 -1.511 3.983 -0.402 1.00 0.00 N ATOM 147 C2 DG A 5 -2.383 3.819 -1.425 1.00 0.00 C ATOM 148 N2 DG A 5 -3.645 3.731 -1.133 1.00 0.00 N ATOM 149 N3 DG A 5 -2.050 3.742 -2.711 1.00 0.00 N ATOM 150 C4 DG A 5 -0.706 3.844 -2.928 1.00 0.00 C ATOM 0 H5' DG A 5 0.661 7.253 -7.381 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.047 7.533 -7.657 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.263 5.323 -8.239 1.00 0.00 H new ATOM 0 H3' DG A 5 -2.830 5.705 -7.002 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.306 4.898 -4.928 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.651 3.396 -5.761 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.450 2.778 -5.878 1.00 0.00 H new ATOM 0 H8 DG A 5 2.074 3.953 -4.533 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.883 4.031 0.547 1.00 0.00 H new ATOM 0 H21 DG A 5 -4.333 3.607 -1.876 1.00 0.00 H new ATOM 0 H22 DG A 5 -3.948 3.786 -0.161 1.00 0.00 H new ATOM 162 P DG A 6 -2.751 2.814 -8.540 1.00 0.00 P ATOM 163 OP1 DG A 6 -2.962 2.651 -9.994 1.00 0.00 O ATOM 164 OP2 DG A 6 -3.895 2.499 -7.661 1.00 0.00 O ATOM 165 O5' DG A 6 -1.480 1.942 -8.129 1.00 0.00 O ATOM 166 C5' DG A 6 -0.258 2.027 -8.863 1.00 0.00 C ATOM 167 C4' DG A 6 0.765 0.984 -8.385 1.00 0.00 C ATOM 168 O4' DG A 6 0.973 1.198 -6.996 1.00 0.00 O ATOM 169 C3' DG A 6 0.264 -0.461 -8.588 1.00 0.00 C ATOM 170 O3' DG A 6 1.078 -1.397 -9.308 1.00 0.00 O ATOM 171 C2' DG A 6 -0.073 -0.921 -7.175 1.00 0.00 C ATOM 172 C1' DG A 6 0.750 0.007 -6.270 1.00 0.00 C ATOM 173 N9 DG A 6 0.113 0.338 -4.965 1.00 0.00 N ATOM 174 C8 DG A 6 -1.217 0.387 -4.613 1.00 0.00 C ATOM 175 N7 DG A 6 -1.444 0.546 -3.330 1.00 0.00 N ATOM 176 C5 DG A 6 -0.139 0.607 -2.801 1.00 0.00 C ATOM 177 C6 DG A 6 0.363 0.767 -1.464 1.00 0.00 C ATOM 178 O6 DG A 6 -0.247 0.902 -0.410 1.00 0.00 O ATOM 179 N1 DG A 6 1.737 0.768 -1.365 1.00 0.00 N ATOM 180 C2 DG A 6 2.568 0.634 -2.420 1.00 0.00 C ATOM 181 N2 DG A 6 3.853 0.651 -2.199 1.00 0.00 N ATOM 182 N3 DG A 6 2.164 0.486 -3.670 1.00 0.00 N ATOM 183 C4 DG A 6 0.804 0.479 -3.797 1.00 0.00 C ATOM 0 H5' DG A 6 0.163 3.026 -8.754 1.00 0.00 H new ATOM 0 H5'' DG A 6 -0.460 1.880 -9.924 1.00 0.00 H new ATOM 0 H4' DG A 6 1.680 1.101 -8.965 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.575 -0.439 -9.284 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.140 -0.832 -6.971 1.00 0.00 H new ATOM 0 H2'' DG A 6 0.195 -1.966 -7.022 1.00 0.00 H new ATOM 0 H1' DG A 6 1.669 -0.519 -6.011 1.00 0.00 H new ATOM 0 H8 DG A 6 -2.013 0.301 -5.338 1.00 0.00 H new ATOM 0 H1 DG A 6 2.151 0.876 -0.439 1.00 0.00 H new ATOM 0 H21 DG A 6 4.506 0.552 -2.977 1.00 0.00 H new ATOM 0 H22 DG A 6 4.206 0.763 -1.248 1.00 0.00 H new ATOM 195 P DT A 7 2.654 -1.644 -9.101 1.00 0.00 P ATOM 196 OP1 DT A 7 3.372 -0.428 -9.520 1.00 0.00 O ATOM 197 OP2 DT A 7 2.964 -2.914 -9.795 1.00 0.00 O ATOM 198 O5' DT A 7 2.912 -1.920 -7.555 1.00 0.00 O ATOM 199 C5' DT A 7 4.180 -1.635 -6.982 1.00 0.00 C ATOM 200 C4' DT A 7 4.467 -2.470 -5.731 1.00 0.00 C ATOM 201 O4' DT A 7 3.621 -2.073 -4.657 1.00 0.00 O ATOM 202 C3' DT A 7 4.288 -3.986 -5.950 1.00 0.00 C ATOM 203 O3' DT A 7 5.384 -4.874 -5.718 1.00 0.00 O ATOM 204 C2' DT A 7 3.065 -4.319 -5.105 1.00 0.00 C ATOM 205 C1' DT A 7 3.119 -3.232 -4.028 1.00 0.00 C ATOM 206 N1 DT A 7 1.868 -2.964 -3.265 1.00 0.00 N ATOM 207 C2 DT A 7 2.021 -2.561 -1.932 1.00 0.00 C ATOM 208 O2 DT A 7 3.098 -2.336 -1.392 1.00 0.00 O ATOM 209 N3 DT A 7 0.875 -2.371 -1.203 1.00 0.00 N ATOM 210 C4 DT A 7 -0.406 -2.557 -1.655 1.00 0.00 C ATOM 211 O4 DT A 7 -1.326 -2.377 -0.866 1.00 0.00 O ATOM 212 C5 DT A 7 -0.511 -2.925 -3.066 1.00 0.00 C ATOM 213 C7 DT A 7 -1.876 -3.067 -3.716 1.00 0.00 C ATOM 214 C6 DT A 7 0.608 -3.102 -3.819 1.00 0.00 C ATOM 0 H5' DT A 7 4.228 -0.577 -6.726 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.958 -1.819 -7.723 1.00 0.00 H new ATOM 0 H4' DT A 7 5.514 -2.285 -5.492 1.00 0.00 H new ATOM 0 H3' DT A 7 4.188 -4.165 -7.021 1.00 0.00 H new ATOM 0 H2' DT A 7 2.143 -4.274 -5.685 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.124 -5.320 -4.678 1.00 0.00 H new ATOM 0 H1' DT A 7 3.768 -3.596 -3.232 1.00 0.00 H new ATOM 0 H3 DT A 7 0.986 -2.063 -0.237 1.00 0.00 H new ATOM 0 H71 DT A 7 -1.803 -2.815 -4.774 1.00 0.00 H new ATOM 0 H72 DT A 7 -2.224 -4.095 -3.611 1.00 0.00 H new ATOM 0 H73 DT A 7 -2.582 -2.394 -3.230 1.00 0.00 H new ATOM 0 H6 DT A 7 0.511 -3.354 -4.865 1.00 0.00 H new ATOM 227 P DG A 8 6.345 -4.903 -4.424 1.00 0.00 P ATOM 228 OP1 DG A 8 7.004 -3.591 -4.302 1.00 0.00 O ATOM 229 OP2 DG A 8 7.215 -6.083 -4.618 1.00 0.00 O ATOM 230 O5' DG A 8 5.410 -5.188 -3.149 1.00 0.00 O ATOM 231 C5' DG A 8 5.712 -4.686 -1.842 1.00 0.00 C ATOM 232 C4' DG A 8 5.178 -5.607 -0.722 1.00 0.00 C ATOM 233 O4' DG A 8 3.768 -5.425 -0.549 1.00 0.00 O ATOM 234 C3' DG A 8 5.450 -7.087 -1.046 1.00 0.00 C ATOM 235 O3' DG A 8 6.131 -7.821 -0.016 1.00 0.00 O ATOM 236 C2' DG A 8 4.072 -7.547 -1.504 1.00 0.00 C ATOM 237 C1' DG A 8 3.090 -6.663 -0.719 1.00 0.00 C ATOM 238 N9 DG A 8 1.761 -6.531 -1.403 1.00 0.00 N ATOM 239 C8 DG A 8 1.432 -6.951 -2.674 1.00 0.00 C ATOM 240 N7 DG A 8 0.155 -6.986 -2.935 1.00 0.00 N ATOM 241 C5 DG A 8 -0.420 -6.447 -1.778 1.00 0.00 C ATOM 242 C6 DG A 8 -1.793 -6.131 -1.478 1.00 0.00 C ATOM 243 O6 DG A 8 -2.803 -6.369 -2.148 1.00 0.00 O ATOM 244 N1 DG A 8 -1.960 -5.446 -0.290 1.00 0.00 N ATOM 245 C2 DG A 8 -0.938 -5.203 0.574 1.00 0.00 C ATOM 246 N2 DG A 8 -1.230 -4.614 1.706 1.00 0.00 N ATOM 247 N3 DG A 8 0.338 -5.535 0.370 1.00 0.00 N ATOM 248 C4 DG A 8 0.552 -6.133 -0.847 1.00 0.00 C ATOM 0 H5' DG A 8 5.280 -3.692 -1.728 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.792 -4.578 -1.737 1.00 0.00 H new ATOM 0 H4' DG A 8 5.699 -5.338 0.197 1.00 0.00 H new ATOM 0 H3' DG A 8 6.198 -7.270 -1.818 1.00 0.00 H new ATOM 0 H2' DG A 8 3.948 -7.419 -2.579 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.914 -8.604 -1.288 1.00 0.00 H new ATOM 0 H1' DG A 8 2.828 -7.099 0.245 1.00 0.00 H new ATOM 0 H8 DG A 8 2.179 -7.231 -3.402 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.892 -5.107 -0.050 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.493 -4.414 2.382 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.195 -4.355 1.912 1.00 0.00 H new ATOM 260 P DT A 9 5.486 -8.597 1.234 1.00 0.00 P ATOM 261 OP1 DT A 9 6.611 -9.102 2.046 1.00 0.00 O ATOM 262 OP2 DT A 9 4.562 -9.624 0.717 1.00 0.00 O ATOM 263 O5' DT A 9 4.661 -7.581 2.143 1.00 0.00 O ATOM 264 C5' DT A 9 5.327 -6.588 2.903 1.00 0.00 C ATOM 265 C4' DT A 9 4.722 -6.303 4.288 1.00 0.00 C ATOM 266 O4' DT A 9 3.321 -6.123 4.225 1.00 0.00 O ATOM 267 C3' DT A 9 4.953 -7.430 5.301 1.00 0.00 C ATOM 268 O3' DT A 9 5.174 -6.914 6.608 1.00 0.00 O ATOM 269 C2' DT A 9 3.642 -8.209 5.255 1.00 0.00 C ATOM 270 C1' DT A 9 2.603 -7.182 4.812 1.00 0.00 C ATOM 271 N1 DT A 9 1.546 -7.647 3.860 1.00 0.00 N ATOM 272 C2 DT A 9 0.268 -7.084 3.992 1.00 0.00 C ATOM 273 O2 DT A 9 -0.045 -6.261 4.844 1.00 0.00 O ATOM 274 N3 DT A 9 -0.688 -7.465 3.080 1.00 0.00 N ATOM 275 C4 DT A 9 -0.478 -8.271 1.987 1.00 0.00 C ATOM 276 O4 DT A 9 -1.395 -8.431 1.183 1.00 0.00 O ATOM 277 C5 DT A 9 0.865 -8.833 1.898 1.00 0.00 C ATOM 278 C7 DT A 9 1.226 -9.772 0.764 1.00 0.00 C ATOM 279 C6 DT A 9 1.812 -8.524 2.823 1.00 0.00 C ATOM 0 H5' DT A 9 5.335 -5.660 2.331 1.00 0.00 H new ATOM 0 H5'' DT A 9 6.366 -6.890 3.034 1.00 0.00 H new ATOM 0 H4' DT A 9 5.233 -5.396 4.613 1.00 0.00 H new ATOM 0 H3' DT A 9 5.830 -8.033 5.067 1.00 0.00 H new ATOM 0 H2' DT A 9 3.700 -9.043 4.555 1.00 0.00 H new ATOM 0 H2'' DT A 9 3.395 -8.628 6.230 1.00 0.00 H new ATOM 0 H1' DT A 9 2.037 -6.912 5.703 1.00 0.00 H new ATOM 0 H3 DT A 9 -1.636 -7.119 3.228 1.00 0.00 H new ATOM 0 H71 DT A 9 0.339 -10.323 0.451 1.00 0.00 H new ATOM 0 H72 DT A 9 1.611 -9.195 -0.077 1.00 0.00 H new ATOM 0 H73 DT A 9 1.988 -10.474 1.102 1.00 0.00 H new ATOM 0 H6 DT A 9 2.792 -8.972 2.747 1.00 0.00 H new ATOM 292 P DG A 10 6.614 -6.374 7.063 1.00 0.00 P ATOM 293 OP1 DG A 10 7.596 -7.459 6.844 1.00 0.00 O ATOM 294 OP2 DG A 10 6.482 -5.837 8.430 1.00 0.00 O ATOM 295 O5' DG A 10 7.003 -5.139 6.108 1.00 0.00 O ATOM 296 C5' DG A 10 8.015 -5.243 5.112 1.00 0.00 C ATOM 297 C4' DG A 10 8.299 -3.930 4.361 1.00 0.00 C ATOM 298 O4' DG A 10 7.433 -3.652 3.256 1.00 0.00 O ATOM 299 C3' DG A 10 8.379 -2.670 5.261 1.00 0.00 C ATOM 300 O3' DG A 10 9.627 -1.974 5.424 1.00 0.00 O ATOM 301 C2' DG A 10 7.261 -1.803 4.691 1.00 0.00 C ATOM 302 C1' DG A 10 7.231 -2.250 3.234 1.00 0.00 C ATOM 303 N9 DG A 10 6.115 -1.658 2.446 1.00 0.00 N ATOM 304 C8 DG A 10 6.035 -0.323 2.136 1.00 0.00 C ATOM 305 N7 DG A 10 4.867 0.102 1.741 1.00 0.00 N ATOM 306 C5 DG A 10 4.092 -1.059 1.789 1.00 0.00 C ATOM 307 C6 DG A 10 2.707 -1.268 1.472 1.00 0.00 C ATOM 308 O6 DG A 10 1.874 -0.451 1.082 1.00 0.00 O ATOM 309 N1 DG A 10 2.290 -2.570 1.640 1.00 0.00 N ATOM 310 C2 DG A 10 3.099 -3.551 2.059 1.00 0.00 C ATOM 311 N2 DG A 10 2.513 -4.703 2.148 1.00 0.00 N ATOM 312 N3 DG A 10 4.384 -3.418 2.370 1.00 0.00 N ATOM 313 C4 DG A 10 4.839 -2.139 2.217 1.00 0.00 C ATOM 0 H5' DG A 10 7.721 -6.005 4.390 1.00 0.00 H new ATOM 0 H5'' DG A 10 8.937 -5.587 5.581 1.00 0.00 H new ATOM 0 H4' DG A 10 9.292 -4.137 3.962 1.00 0.00 H new ATOM 0 H3' DG A 10 8.276 -2.967 6.305 1.00 0.00 H new ATOM 0 H2' DG A 10 6.310 -1.981 5.193 1.00 0.00 H new ATOM 0 H2'' DG A 10 7.479 -0.739 4.788 1.00 0.00 H new ATOM 0 H1' DG A 10 8.038 -1.840 2.627 1.00 0.00 H new ATOM 0 H8 DG A 10 6.888 0.335 2.214 1.00 0.00 H new ATOM 0 H1 DG A 10 1.317 -2.798 1.435 1.00 0.00 H new ATOM 0 H21 DG A 10 3.039 -5.520 2.458 1.00 0.00 H new ATOM 0 H22 DG A 10 1.526 -4.793 1.908 1.00 0.00 H new ATOM 325 P DG A 11 10.589 -1.427 4.244 1.00 0.00 P ATOM 326 OP1 DG A 11 10.932 -2.558 3.357 1.00 0.00 O ATOM 327 OP2 DG A 11 11.689 -0.705 4.907 1.00 0.00 O ATOM 328 O5' DG A 11 9.784 -0.313 3.413 1.00 0.00 O ATOM 329 C5' DG A 11 10.293 0.146 2.164 1.00 0.00 C ATOM 330 C4' DG A 11 9.935 1.597 1.796 1.00 0.00 C ATOM 331 O4' DG A 11 8.553 1.790 1.544 1.00 0.00 O ATOM 332 C3' DG A 11 10.267 2.624 2.877 1.00 0.00 C ATOM 333 O3' DG A 11 11.639 2.960 2.957 1.00 0.00 O ATOM 334 C2' DG A 11 9.440 3.816 2.401 1.00 0.00 C ATOM 335 C1' DG A 11 8.248 3.175 1.671 1.00 0.00 C ATOM 336 N9 DG A 11 6.974 3.311 2.420 1.00 0.00 N ATOM 337 C8 DG A 11 6.755 2.995 3.741 1.00 0.00 C ATOM 338 N7 DG A 11 5.522 3.144 4.137 1.00 0.00 N ATOM 339 C5 DG A 11 4.866 3.596 2.986 1.00 0.00 C ATOM 340 C6 DG A 11 3.488 3.941 2.771 1.00 0.00 C ATOM 341 O6 DG A 11 2.549 3.920 3.563 1.00 0.00 O ATOM 342 N1 DG A 11 3.206 4.347 1.491 1.00 0.00 N ATOM 343 C2 DG A 11 4.129 4.424 0.510 1.00 0.00 C ATOM 344 N2 DG A 11 3.663 4.833 -0.637 1.00 0.00 N ATOM 345 N3 DG A 11 5.425 4.118 0.646 1.00 0.00 N ATOM 346 C4 DG A 11 5.741 3.705 1.923 1.00 0.00 C ATOM 0 H5' DG A 11 9.924 -0.512 1.377 1.00 0.00 H new ATOM 0 H5'' DG A 11 11.379 0.050 2.176 1.00 0.00 H new ATOM 0 H4' DG A 11 10.543 1.753 0.905 1.00 0.00 H new ATOM 0 H3' DG A 11 10.047 2.263 3.882 1.00 0.00 H new ATOM 0 H2' DG A 11 9.111 4.433 3.237 1.00 0.00 H new ATOM 0 H2'' DG A 11 10.015 4.461 1.736 1.00 0.00 H new ATOM 0 HO3' DG A 11 11.773 3.621 3.668 1.00 0.00 H new ATOM 0 H1' DG A 11 8.107 3.675 0.713 1.00 0.00 H new ATOM 0 H8 DG A 11 7.541 2.651 4.397 1.00 0.00 H new ATOM 0 H1 DG A 11 2.245 4.605 1.269 1.00 0.00 H new ATOM 0 H21 DG A 11 4.287 4.923 -1.438 1.00 0.00 H new ATOM 0 H22 DG A 11 2.674 5.063 -0.733 1.00 0.00 H new TER 359 DG A 11 HETATM 360 K K A 101 0.547 1.721 2.067 1.00 0.00 K