USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 187 hydrogens (15 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 12 DT C7 :methyl -30:sc= -0.52 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.558 (180deg=-1.52) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0209 (180deg=-0.0209) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.448 (180deg=-1.76) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.119 (180deg=-0.119) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.544 4.649 -6.349 1.00 8.00 P ATOM 2 OP1 DG A 1 11.970 4.308 -6.163 1.00 8.00 O ATOM 3 OP2 DG A 1 10.099 5.356 -7.566 1.00 8.00 O ATOM 4 O5' DG A 1 9.672 3.297 -6.226 1.00 8.00 O ATOM 5 C5' DG A 1 9.958 2.280 -5.280 1.00 8.00 C ATOM 6 C4' DG A 1 9.850 2.775 -3.842 1.00 8.00 C ATOM 7 O4' DG A 1 8.535 3.204 -3.516 1.00 8.00 O ATOM 8 C3' DG A 1 10.211 1.650 -2.866 1.00 8.00 C ATOM 9 O3' DG A 1 11.388 2.003 -2.159 1.00 8.00 O ATOM 10 C2' DG A 1 8.998 1.629 -1.946 1.00 8.00 C ATOM 11 C1' DG A 1 8.449 3.032 -2.125 1.00 8.00 C ATOM 12 N9 DG A 1 7.102 3.167 -1.547 1.00 8.00 N ATOM 13 C8 DG A 1 6.806 3.680 -0.306 1.00 8.00 C ATOM 14 N7 DG A 1 5.534 3.750 -0.023 1.00 8.00 N ATOM 15 C5 DG A 1 4.973 3.138 -1.144 1.00 8.00 C ATOM 16 C6 DG A 1 3.593 2.803 -1.391 1.00 8.00 C ATOM 17 O6 DG A 1 2.614 3.025 -0.673 1.00 8.00 O ATOM 18 N1 DG A 1 3.384 2.103 -2.572 1.00 8.00 N ATOM 19 C2 DG A 1 4.384 1.759 -3.432 1.00 8.00 C ATOM 20 N2 DG A 1 4.058 1.085 -4.517 1.00 8.00 N ATOM 21 N3 DG A 1 5.670 2.057 -3.237 1.00 8.00 N ATOM 22 C4 DG A 1 5.905 2.744 -2.071 1.00 8.00 C ATOM 0 H5' DG A 1 10.964 1.898 -5.455 1.00 8.00 H new ATOM 0 H5'' DG A 1 9.270 1.447 -5.427 1.00 8.00 H new ATOM 0 H4' DG A 1 10.538 3.616 -3.757 1.00 8.00 H new ATOM 0 H3' DG A 1 10.412 0.685 -3.330 1.00 8.00 H new ATOM 0 H2' DG A 1 8.276 0.867 -2.239 1.00 8.00 H new ATOM 0 H2'' DG A 1 9.273 1.427 -0.911 1.00 8.00 H new ATOM 0 H1' DG A 1 8.991 3.815 -1.596 1.00 8.00 H new ATOM 0 H8 DG A 1 7.571 4.002 0.385 1.00 8.00 H new ATOM 0 H1 DG A 1 2.430 1.831 -2.809 1.00 8.00 H new ATOM 0 H21 DG A 1 4.780 0.811 -5.183 1.00 8.00 H new ATOM 0 H22 DG A 1 3.084 0.838 -4.690 1.00 8.00 H new ATOM 34 P DG A 2 12.225 0.928 -1.293 1.00 8.00 P ATOM 35 OP1 DG A 2 13.531 1.535 -0.965 1.00 8.00 O ATOM 36 OP2 DG A 2 12.155 -0.366 -1.999 1.00 8.00 O ATOM 37 O5' DG A 2 11.364 0.817 0.066 1.00 8.00 O ATOM 38 C5' DG A 2 11.344 1.876 1.007 1.00 8.00 C ATOM 39 C4' DG A 2 10.517 1.548 2.253 1.00 8.00 C ATOM 40 O4' DG A 2 9.127 1.699 1.995 1.00 8.00 O ATOM 41 C3' DG A 2 10.756 0.122 2.750 1.00 8.00 C ATOM 42 O3' DG A 2 10.739 0.144 4.168 1.00 8.00 O ATOM 43 C2' DG A 2 9.536 -0.626 2.224 1.00 8.00 C ATOM 44 C1' DG A 2 8.479 0.483 2.324 1.00 8.00 C ATOM 45 N9 DG A 2 7.275 0.359 1.485 1.00 8.00 N ATOM 46 C8 DG A 2 7.152 -0.212 0.250 1.00 8.00 C ATOM 47 N7 DG A 2 5.937 -0.283 -0.221 1.00 8.00 N ATOM 48 C5 DG A 2 5.206 0.314 0.807 1.00 8.00 C ATOM 49 C6 DG A 2 3.775 0.449 0.954 1.00 8.00 C ATOM 50 O6 DG A 2 2.887 0.075 0.182 1.00 8.00 O ATOM 51 N1 DG A 2 3.387 1.045 2.150 1.00 8.00 N ATOM 52 C2 DG A 2 4.268 1.438 3.118 1.00 8.00 C ATOM 53 N2 DG A 2 3.782 1.942 4.237 1.00 8.00 N ATOM 54 N3 DG A 2 5.595 1.310 3.017 1.00 8.00 N ATOM 55 C4 DG A 2 6.002 0.733 1.843 1.00 8.00 C ATOM 0 H5' DG A 2 10.939 2.770 0.533 1.00 8.00 H new ATOM 0 H5'' DG A 2 12.366 2.109 1.306 1.00 8.00 H new ATOM 0 H4' DG A 2 10.839 2.250 3.022 1.00 8.00 H new ATOM 0 H3' DG A 2 11.698 -0.323 2.429 1.00 8.00 H new ATOM 0 H2' DG A 2 9.673 -0.980 1.202 1.00 8.00 H new ATOM 0 H2'' DG A 2 9.286 -1.496 2.832 1.00 8.00 H new ATOM 0 H1' DG A 2 8.094 0.422 3.342 1.00 8.00 H new ATOM 0 H8 DG A 2 8.005 -0.581 -0.301 1.00 8.00 H new ATOM 0 H1 DG A 2 2.392 1.197 2.313 1.00 8.00 H new ATOM 0 H21 DG A 2 4.415 2.244 4.978 1.00 8.00 H new ATOM 0 H22 DG A 2 2.773 2.029 4.361 1.00 8.00 H new ATOM 67 P DT A 3 11.699 -0.812 5.028 1.00 8.00 P ATOM 68 OP1 DT A 3 11.337 -0.671 6.453 1.00 8.00 O ATOM 69 OP2 DT A 3 13.091 -0.587 4.588 1.00 8.00 O ATOM 70 O5' DT A 3 11.237 -2.264 4.529 1.00 8.00 O ATOM 71 C5' DT A 3 12.095 -3.382 4.652 1.00 8.00 C ATOM 72 C4' DT A 3 11.405 -4.657 4.175 1.00 8.00 C ATOM 73 O4' DT A 3 10.355 -4.976 5.063 1.00 8.00 O ATOM 74 C3' DT A 3 10.799 -4.573 2.768 1.00 8.00 C ATOM 75 O3' DT A 3 11.410 -5.474 1.861 1.00 8.00 O ATOM 76 C2' DT A 3 9.374 -5.039 3.017 1.00 8.00 C ATOM 77 C1' DT A 3 9.439 -5.766 4.348 1.00 8.00 C ATOM 78 N1 DT A 3 8.128 -5.882 5.035 1.00 8.00 N ATOM 79 C2 DT A 3 8.124 -6.129 6.420 1.00 8.00 C ATOM 80 O2 DT A 3 9.117 -6.344 7.108 1.00 8.00 O ATOM 81 N3 DT A 3 6.890 -6.182 7.028 1.00 8.00 N ATOM 82 C4 DT A 3 5.673 -6.036 6.402 1.00 8.00 C ATOM 83 O4 DT A 3 4.657 -6.046 7.090 1.00 8.00 O ATOM 84 C5 DT A 3 5.746 -5.908 4.949 1.00 8.00 C ATOM 85 C7 DT A 3 4.477 -5.840 4.130 1.00 8.00 C ATOM 86 C6 DT A 3 6.946 -5.852 4.314 1.00 8.00 C ATOM 0 H5' DT A 3 12.401 -3.497 5.692 1.00 8.00 H new ATOM 0 H5'' DT A 3 13.001 -3.215 4.070 1.00 8.00 H new ATOM 0 H4' DT A 3 12.188 -5.415 4.147 1.00 8.00 H new ATOM 0 H3' DT A 3 10.910 -3.581 2.330 1.00 8.00 H new ATOM 0 H2' DT A 3 8.683 -4.197 3.058 1.00 8.00 H new ATOM 0 H2'' DT A 3 9.027 -5.698 2.221 1.00 8.00 H new ATOM 0 H1' DT A 3 9.736 -6.810 4.245 1.00 8.00 H new ATOM 0 H3 DT A 3 6.876 -6.344 8.035 1.00 8.00 H new ATOM 0 H71 DT A 3 4.654 -5.245 3.234 1.00 8.00 H new ATOM 0 H72 DT A 3 4.175 -6.847 3.843 1.00 8.00 H new ATOM 0 H73 DT A 3 3.686 -5.379 4.722 1.00 8.00 H new ATOM 0 H6 DT A 3 6.978 -5.783 3.237 1.00 8.00 H new ATOM 99 P DT A 4 11.392 -5.184 0.270 1.00 8.00 P ATOM 100 OP1 DT A 4 12.053 -6.322 -0.407 1.00 8.00 O ATOM 101 OP2 DT A 4 11.892 -3.813 0.073 1.00 8.00 O ATOM 102 O5' DT A 4 9.826 -5.187 -0.127 1.00 8.00 O ATOM 103 C5' DT A 4 9.091 -6.387 -0.299 1.00 8.00 C ATOM 104 C4' DT A 4 7.619 -6.079 -0.581 1.00 8.00 C ATOM 105 O4' DT A 4 6.938 -5.457 0.493 1.00 8.00 O ATOM 106 C3' DT A 4 7.401 -5.227 -1.845 1.00 8.00 C ATOM 107 O3' DT A 4 6.466 -5.816 -2.735 1.00 8.00 O ATOM 108 C2' DT A 4 6.753 -4.004 -1.230 1.00 8.00 C ATOM 109 C1' DT A 4 5.934 -4.699 -0.156 1.00 8.00 C ATOM 110 N1 DT A 4 5.264 -3.755 0.765 1.00 8.00 N ATOM 111 C2 DT A 4 3.872 -3.634 0.724 1.00 8.00 C ATOM 112 O2 DT A 4 3.156 -4.137 -0.140 1.00 8.00 O ATOM 113 N3 DT A 4 3.311 -2.904 1.753 1.00 8.00 N ATOM 114 C4 DT A 4 4.006 -2.373 2.836 1.00 8.00 C ATOM 115 O4 DT A 4 3.339 -1.822 3.704 1.00 8.00 O ATOM 116 C5 DT A 4 5.466 -2.519 2.807 1.00 8.00 C ATOM 117 C7 DT A 4 6.300 -1.972 3.958 1.00 8.00 C ATOM 118 C6 DT A 4 6.029 -3.160 1.740 1.00 8.00 C ATOM 0 H5' DT A 4 9.175 -7.003 0.596 1.00 8.00 H new ATOM 0 H5'' DT A 4 9.512 -6.963 -1.123 1.00 8.00 H new ATOM 0 H4' DT A 4 7.194 -7.071 -0.734 1.00 8.00 H new ATOM 0 H3' DT A 4 8.312 -5.072 -2.423 1.00 8.00 H new ATOM 0 H2' DT A 4 7.479 -3.302 -0.820 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.138 -3.450 -1.939 1.00 8.00 H new ATOM 0 H1' DT A 4 5.102 -5.285 -0.547 1.00 8.00 H new ATOM 0 H3 DT A 4 2.305 -2.740 1.717 1.00 8.00 H new ATOM 0 H71 DT A 4 5.798 -1.107 4.392 1.00 8.00 H new ATOM 0 H72 DT A 4 6.419 -2.743 4.720 1.00 8.00 H new ATOM 0 H73 DT A 4 7.281 -1.674 3.587 1.00 8.00 H new ATOM 0 H6 DT A 4 7.105 -3.200 1.660 1.00 8.00 H new ATOM 131 P DG A 5 6.876 -7.041 -3.693 1.00 8.00 P ATOM 132 OP1 DG A 5 6.883 -8.273 -2.875 1.00 8.00 O ATOM 133 OP2 DG A 5 8.084 -6.636 -4.441 1.00 8.00 O ATOM 134 O5' DG A 5 5.639 -7.089 -4.718 1.00 8.00 O ATOM 135 C5' DG A 5 5.476 -6.058 -5.670 1.00 8.00 C ATOM 136 C4' DG A 5 4.106 -6.136 -6.350 1.00 8.00 C ATOM 137 O4' DG A 5 3.097 -5.762 -5.422 1.00 8.00 O ATOM 138 C3' DG A 5 3.992 -5.175 -7.547 1.00 8.00 C ATOM 139 O3' DG A 5 3.284 -5.848 -8.581 1.00 8.00 O ATOM 140 C2' DG A 5 3.171 -4.031 -6.959 1.00 8.00 C ATOM 141 C1' DG A 5 2.248 -4.839 -6.059 1.00 8.00 C ATOM 142 N9 DG A 5 1.474 -4.079 -5.061 1.00 8.00 N ATOM 143 C8 DG A 5 0.125 -4.205 -4.836 1.00 8.00 C ATOM 144 N7 DG A 5 -0.347 -3.493 -3.851 1.00 8.00 N ATOM 145 C5 DG A 5 0.810 -2.872 -3.382 1.00 8.00 C ATOM 146 C6 DG A 5 0.959 -1.982 -2.259 1.00 8.00 C ATOM 147 O6 DG A 5 0.083 -1.535 -1.513 1.00 8.00 O ATOM 148 N1 DG A 5 2.267 -1.588 -2.023 1.00 8.00 N ATOM 149 C2 DG A 5 3.324 -1.978 -2.788 1.00 8.00 C ATOM 150 N2 DG A 5 4.517 -1.511 -2.463 1.00 8.00 N ATOM 151 N3 DG A 5 3.216 -2.774 -3.858 1.00 8.00 N ATOM 152 C4 DG A 5 1.934 -3.210 -4.096 1.00 8.00 C ATOM 0 H5' DG A 5 6.262 -6.128 -6.422 1.00 8.00 H new ATOM 0 H5'' DG A 5 5.587 -5.090 -5.182 1.00 8.00 H new ATOM 0 H4' DG A 5 3.985 -7.162 -6.699 1.00 8.00 H new ATOM 0 H3' DG A 5 4.935 -4.834 -7.975 1.00 8.00 H new ATOM 0 H2' DG A 5 3.780 -3.317 -6.405 1.00 8.00 H new ATOM 0 H2'' DG A 5 2.630 -3.467 -7.719 1.00 8.00 H new ATOM 0 H1' DG A 5 1.466 -5.285 -6.674 1.00 8.00 H new ATOM 0 H8 DG A 5 -0.502 -4.850 -5.434 1.00 8.00 H new ATOM 0 H1 DG A 5 2.448 -0.971 -1.231 1.00 8.00 H new ATOM 0 H21 DG A 5 5.336 -1.778 -3.010 1.00 8.00 H new ATOM 0 H22 DG A 5 4.619 -0.883 -1.665 1.00 8.00 H new ATOM 164 P DG A 6 2.992 -5.186 -10.027 1.00 8.00 P ATOM 165 OP1 DG A 6 2.674 -6.283 -10.963 1.00 8.00 O ATOM 166 OP2 DG A 6 4.087 -4.238 -10.324 1.00 8.00 O ATOM 167 O5' DG A 6 1.649 -4.327 -9.782 1.00 8.00 O ATOM 168 C5' DG A 6 0.421 -4.956 -9.472 1.00 8.00 C ATOM 169 C4' DG A 6 -0.629 -3.962 -8.980 1.00 8.00 C ATOM 170 O4' DG A 6 -0.197 -3.344 -7.773 1.00 8.00 O ATOM 171 C3' DG A 6 -0.972 -2.845 -9.978 1.00 8.00 C ATOM 172 O3' DG A 6 -2.393 -2.698 -9.996 1.00 8.00 O ATOM 173 C2' DG A 6 -0.329 -1.628 -9.336 1.00 8.00 C ATOM 174 C1' DG A 6 -0.591 -1.992 -7.868 1.00 8.00 C ATOM 175 N9 DG A 6 0.068 -1.144 -6.854 1.00 8.00 N ATOM 176 C8 DG A 6 1.371 -0.691 -6.749 1.00 8.00 C ATOM 177 N7 DG A 6 1.627 -0.024 -5.661 1.00 8.00 N ATOM 178 C5 DG A 6 0.373 0.052 -5.065 1.00 8.00 C ATOM 179 C6 DG A 6 -0.012 0.727 -3.851 1.00 8.00 C ATOM 180 O6 DG A 6 0.707 1.321 -3.043 1.00 8.00 O ATOM 181 N1 DG A 6 -1.373 0.668 -3.588 1.00 8.00 N ATOM 182 C2 DG A 6 -2.254 -0.041 -4.347 1.00 8.00 C ATOM 183 N2 DG A 6 -3.490 -0.137 -3.902 1.00 8.00 N ATOM 184 N3 DG A 6 -1.924 -0.712 -5.456 1.00 8.00 N ATOM 185 C4 DG A 6 -0.592 -0.607 -5.775 1.00 8.00 C ATOM 0 H5' DG A 6 0.587 -5.715 -8.707 1.00 8.00 H new ATOM 0 H5'' DG A 6 0.045 -5.471 -10.356 1.00 8.00 H new ATOM 0 H4' DG A 6 -1.529 -4.560 -8.835 1.00 8.00 H new ATOM 0 H3' DG A 6 -0.636 -3.016 -11.001 1.00 8.00 H new ATOM 0 H2' DG A 6 0.732 -1.536 -9.568 1.00 8.00 H new ATOM 0 H2'' DG A 6 -0.802 -0.692 -9.632 1.00 8.00 H new ATOM 0 H1' DG A 6 -1.641 -1.820 -7.631 1.00 8.00 H new ATOM 0 H8 DG A 6 2.116 -0.876 -7.509 1.00 8.00 H new ATOM 0 H1 DG A 6 -1.733 1.183 -2.784 1.00 8.00 H new ATOM 0 H21 DG A 6 -4.185 -0.658 -4.436 1.00 8.00 H new ATOM 0 H22 DG A 6 -3.752 0.310 -3.023 1.00 8.00 H new ATOM 197 P DT A 7 -3.180 -1.768 -11.081 1.00 8.00 P ATOM 198 OP1 DT A 7 -4.536 -2.328 -11.252 1.00 8.00 O ATOM 199 OP2 DT A 7 -2.267 -1.577 -12.225 1.00 8.00 O ATOM 200 O5' DT A 7 -3.421 -0.279 -10.641 1.00 8.00 O ATOM 201 C5' DT A 7 -3.583 0.202 -9.361 1.00 8.00 C ATOM 202 C4' DT A 7 -4.731 1.104 -8.970 1.00 8.00 C ATOM 203 O4' DT A 7 -5.960 0.416 -9.082 1.00 8.00 O ATOM 204 C3' DT A 7 -4.463 1.424 -7.484 1.00 8.00 C ATOM 205 O3' DT A 7 -5.003 2.669 -7.093 1.00 8.00 O ATOM 206 C2' DT A 7 -5.278 0.342 -6.803 1.00 8.00 C ATOM 207 C1' DT A 7 -6.463 0.304 -7.778 1.00 8.00 C ATOM 208 N1 DT A 7 -7.232 -0.946 -7.675 1.00 8.00 N ATOM 209 C2 DT A 7 -8.604 -0.828 -7.455 1.00 8.00 C ATOM 210 O2 DT A 7 -9.186 0.242 -7.314 1.00 8.00 O ATOM 211 N3 DT A 7 -9.312 -2.002 -7.363 1.00 8.00 N ATOM 212 C4 DT A 7 -8.775 -3.270 -7.400 1.00 8.00 C ATOM 213 O4 DT A 7 -9.524 -4.229 -7.253 1.00 8.00 O ATOM 214 C5 DT A 7 -7.332 -3.313 -7.618 1.00 8.00 C ATOM 215 C7 DT A 7 -6.642 -4.649 -7.698 1.00 8.00 C ATOM 216 C6 DT A 7 -6.611 -2.174 -7.766 1.00 8.00 C ATOM 0 H5' DT A 7 -2.667 0.738 -9.111 1.00 8.00 H new ATOM 0 H5'' DT A 7 -3.633 -0.667 -8.705 1.00 8.00 H new ATOM 0 H4' DT A 7 -4.795 1.990 -9.602 1.00 8.00 H new ATOM 0 H3' DT A 7 -3.398 1.462 -7.254 1.00 8.00 H new ATOM 0 H2' DT A 7 -4.750 -0.610 -6.741 1.00 8.00 H new ATOM 0 H2'' DT A 7 -5.573 0.610 -5.788 1.00 8.00 H new ATOM 0 H1' DT A 7 -7.134 1.126 -7.530 1.00 8.00 H new ATOM 0 H3 DT A 7 -10.324 -1.928 -7.258 1.00 8.00 H new ATOM 0 H71 DT A 7 -5.773 -4.571 -8.351 1.00 8.00 H new ATOM 0 H72 DT A 7 -6.321 -4.953 -6.702 1.00 8.00 H new ATOM 0 H73 DT A 7 -7.332 -5.391 -8.099 1.00 8.00 H new ATOM 0 H6 DT A 7 -5.549 -2.229 -7.955 1.00 8.00 H new ATOM 229 P DG A 8 -4.213 4.052 -7.296 1.00 8.00 P ATOM 230 OP1 DG A 8 -5.211 5.131 -7.209 1.00 8.00 O ATOM 231 OP2 DG A 8 -3.339 3.929 -8.481 1.00 8.00 O ATOM 232 O5' DG A 8 -3.270 4.102 -5.995 1.00 8.00 O ATOM 233 C5' DG A 8 -3.793 3.987 -4.684 1.00 8.00 C ATOM 234 C4' DG A 8 -2.823 4.555 -3.640 1.00 8.00 C ATOM 235 O4' DG A 8 -1.660 3.747 -3.494 1.00 8.00 O ATOM 236 C3' DG A 8 -2.412 5.989 -3.990 1.00 8.00 C ATOM 237 O3' DG A 8 -2.725 6.893 -2.944 1.00 8.00 O ATOM 238 C2' DG A 8 -0.903 5.921 -4.165 1.00 8.00 C ATOM 239 C1' DG A 8 -0.491 4.498 -3.791 1.00 8.00 C ATOM 240 N9 DG A 8 0.228 3.888 -4.928 1.00 8.00 N ATOM 241 C8 DG A 8 -0.301 3.183 -5.977 1.00 8.00 C ATOM 242 N7 DG A 8 0.566 2.828 -6.880 1.00 8.00 N ATOM 243 C5 DG A 8 1.767 3.343 -6.397 1.00 8.00 C ATOM 244 C6 DG A 8 3.098 3.269 -6.925 1.00 8.00 C ATOM 245 O6 DG A 8 3.513 2.690 -7.923 1.00 8.00 O ATOM 246 N1 DG A 8 4.026 3.953 -6.162 1.00 8.00 N ATOM 247 C2 DG A 8 3.727 4.611 -5.005 1.00 8.00 C ATOM 248 N2 DG A 8 4.732 5.168 -4.367 1.00 8.00 N ATOM 249 N3 DG A 8 2.510 4.671 -4.459 1.00 8.00 N ATOM 250 C4 DG A 8 1.569 4.016 -5.208 1.00 8.00 C ATOM 0 H5' DG A 8 -3.995 2.939 -4.462 1.00 8.00 H new ATOM 0 H5'' DG A 8 -4.745 4.515 -4.623 1.00 8.00 H new ATOM 0 H4' DG A 8 -3.357 4.557 -2.690 1.00 8.00 H new ATOM 0 H3' DG A 8 -2.936 6.346 -4.877 1.00 8.00 H new ATOM 0 H2' DG A 8 -0.620 6.150 -5.192 1.00 8.00 H new ATOM 0 H2'' DG A 8 -0.404 6.650 -3.527 1.00 8.00 H new ATOM 0 H1' DG A 8 0.164 4.509 -2.920 1.00 8.00 H new ATOM 0 H8 DG A 8 -1.351 2.942 -6.048 1.00 8.00 H new ATOM 0 H1 DG A 8 4.994 3.967 -6.484 1.00 8.00 H new ATOM 0 H21 DG A 8 4.566 5.673 -3.496 1.00 8.00 H new ATOM 0 H22 DG A 8 5.678 5.095 -4.743 1.00 8.00 H new ATOM 262 P DT A 9 -3.985 7.902 -3.035 1.00 8.00 P ATOM 263 OP1 DT A 9 -4.867 7.483 -4.142 1.00 8.00 O ATOM 264 OP2 DT A 9 -3.468 9.284 -2.975 1.00 8.00 O ATOM 265 O5' DT A 9 -4.743 7.606 -1.653 1.00 8.00 O ATOM 266 C5' DT A 9 -5.669 6.546 -1.477 1.00 8.00 C ATOM 267 C4' DT A 9 -6.093 6.462 -0.007 1.00 8.00 C ATOM 268 O4' DT A 9 -4.958 6.107 0.768 1.00 8.00 O ATOM 269 C3' DT A 9 -6.620 7.801 0.527 1.00 8.00 C ATOM 270 O3' DT A 9 -7.608 7.606 1.520 1.00 8.00 O ATOM 271 C2' DT A 9 -5.399 8.389 1.209 1.00 8.00 C ATOM 272 C1' DT A 9 -4.712 7.129 1.718 1.00 8.00 C ATOM 273 N1 DT A 9 -3.270 7.400 1.889 1.00 8.00 N ATOM 274 C2 DT A 9 -2.885 8.128 3.020 1.00 8.00 C ATOM 275 O2 DT A 9 -3.642 8.405 3.947 1.00 8.00 O ATOM 276 N3 DT A 9 -1.576 8.555 3.060 1.00 8.00 N ATOM 277 C4 DT A 9 -0.597 8.228 2.137 1.00 8.00 C ATOM 278 O4 DT A 9 0.548 8.609 2.350 1.00 8.00 O ATOM 279 C5 DT A 9 -1.068 7.456 0.986 1.00 8.00 C ATOM 280 C7 DT A 9 -0.121 7.047 -0.114 1.00 8.00 C ATOM 281 C6 DT A 9 -2.369 7.087 0.891 1.00 8.00 C ATOM 0 H5' DT A 9 -5.219 5.603 -1.789 1.00 8.00 H new ATOM 0 H5'' DT A 9 -6.543 6.707 -2.108 1.00 8.00 H new ATOM 0 H4' DT A 9 -6.892 5.724 0.064 1.00 8.00 H new ATOM 0 H3' DT A 9 -7.061 8.412 -0.261 1.00 8.00 H new ATOM 0 H2' DT A 9 -4.771 8.950 0.517 1.00 8.00 H new ATOM 0 H2'' DT A 9 -5.666 9.068 2.019 1.00 8.00 H new ATOM 0 H1' DT A 9 -5.095 6.813 2.688 1.00 8.00 H new ATOM 0 H3 DT A 9 -1.305 9.162 3.834 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.459 6.109 -0.555 1.00 8.00 H new ATOM 0 H72 DT A 9 -0.098 7.821 -0.881 1.00 8.00 H new ATOM 0 H73 DT A 9 0.879 6.914 0.298 1.00 8.00 H new ATOM 0 H6 DT A 9 -2.705 6.540 0.022 1.00 8.00 H new ATOM 294 P DG A 10 -9.172 7.523 1.162 1.00 8.00 P ATOM 295 OP1 DG A 10 -9.472 8.520 0.115 1.00 8.00 O ATOM 296 OP2 DG A 10 -9.903 7.551 2.447 1.00 8.00 O ATOM 297 O5' DG A 10 -9.357 6.063 0.532 1.00 8.00 O ATOM 298 C5' DG A 10 -9.436 4.936 1.374 1.00 8.00 C ATOM 299 C4' DG A 10 -9.663 3.683 0.546 1.00 8.00 C ATOM 300 O4' DG A 10 -8.479 3.421 -0.197 1.00 8.00 O ATOM 301 C3' DG A 10 -9.925 2.453 1.436 1.00 8.00 C ATOM 302 O3' DG A 10 -10.970 1.693 0.838 1.00 8.00 O ATOM 303 C2' DG A 10 -8.584 1.739 1.360 1.00 8.00 C ATOM 304 C1' DG A 10 -8.249 2.039 -0.092 1.00 8.00 C ATOM 305 N9 DG A 10 -6.868 1.677 -0.496 1.00 8.00 N ATOM 306 C8 DG A 10 -6.464 0.857 -1.536 1.00 8.00 C ATOM 307 N7 DG A 10 -5.192 0.889 -1.791 1.00 8.00 N ATOM 308 C5 DG A 10 -4.717 1.726 -0.792 1.00 8.00 C ATOM 309 C6 DG A 10 -3.355 2.105 -0.532 1.00 8.00 C ATOM 310 O6 DG A 10 -2.342 1.795 -1.165 1.00 8.00 O ATOM 311 N1 DG A 10 -3.202 2.896 0.599 1.00 8.00 N ATOM 312 C2 DG A 10 -4.227 3.232 1.433 1.00 8.00 C ATOM 313 N2 DG A 10 -3.921 3.880 2.549 1.00 8.00 N ATOM 314 N3 DG A 10 -5.507 2.901 1.207 1.00 8.00 N ATOM 315 C4 DG A 10 -5.697 2.160 0.062 1.00 8.00 C ATOM 0 H5' DG A 10 -10.250 5.062 2.088 1.00 8.00 H new ATOM 0 H5'' DG A 10 -8.517 4.838 1.952 1.00 8.00 H new ATOM 0 H4' DG A 10 -10.529 3.851 -0.094 1.00 8.00 H new ATOM 0 H3' DG A 10 -10.236 2.653 2.461 1.00 8.00 H new ATOM 0 H2' DG A 10 -7.849 2.144 2.056 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.661 0.671 1.564 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.856 1.437 -0.768 1.00 8.00 H new ATOM 0 H8 DG A 10 -7.154 0.239 -2.092 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.269 3.246 0.818 1.00 8.00 H new ATOM 0 H21 DG A 10 -4.658 4.150 3.200 1.00 8.00 H new ATOM 0 H22 DG A 10 -2.949 4.108 2.756 1.00 8.00 H new ATOM 327 P DG A 11 -11.589 0.355 1.502 1.00 8.00 P ATOM 328 OP1 DG A 11 -12.943 0.163 0.942 1.00 8.00 O ATOM 329 OP2 DG A 11 -11.384 0.443 2.962 1.00 8.00 O ATOM 330 O5' DG A 11 -10.625 -0.808 0.937 1.00 8.00 O ATOM 331 C5' DG A 11 -10.649 -1.224 -0.419 1.00 8.00 C ATOM 332 C4' DG A 11 -9.658 -2.376 -0.636 1.00 8.00 C ATOM 333 O4' DG A 11 -8.337 -1.864 -0.560 1.00 8.00 O ATOM 334 C3' DG A 11 -9.779 -3.533 0.374 1.00 8.00 C ATOM 335 O3' DG A 11 -9.835 -4.781 -0.290 1.00 8.00 O ATOM 336 C2' DG A 11 -8.466 -3.500 1.137 1.00 8.00 C ATOM 337 C1' DG A 11 -7.548 -2.808 0.131 1.00 8.00 C ATOM 338 N9 DG A 11 -6.353 -2.122 0.652 1.00 8.00 N ATOM 339 C8 DG A 11 -6.184 -1.361 1.787 1.00 8.00 C ATOM 340 N7 DG A 11 -5.008 -0.831 1.924 1.00 8.00 N ATOM 341 C5 DG A 11 -4.350 -1.297 0.795 1.00 8.00 C ATOM 342 C6 DG A 11 -2.980 -1.086 0.412 1.00 8.00 C ATOM 343 O6 DG A 11 -2.117 -0.430 1.003 1.00 8.00 O ATOM 344 N1 DG A 11 -2.633 -1.728 -0.767 1.00 8.00 N ATOM 345 C2 DG A 11 -3.476 -2.535 -1.471 1.00 8.00 C ATOM 346 N2 DG A 11 -2.966 -3.166 -2.515 1.00 8.00 N ATOM 347 N3 DG A 11 -4.760 -2.749 -1.139 1.00 8.00 N ATOM 348 C4 DG A 11 -5.136 -2.097 0.010 1.00 8.00 C ATOM 0 H5' DG A 11 -10.393 -0.387 -1.069 1.00 8.00 H new ATOM 0 H5'' DG A 11 -11.655 -1.543 -0.692 1.00 8.00 H new ATOM 0 H4' DG A 11 -9.896 -2.791 -1.615 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.672 -3.425 0.990 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.547 -2.942 2.070 1.00 8.00 H new ATOM 0 H2'' DG A 11 -8.115 -4.500 1.393 1.00 8.00 H new ATOM 0 H1' DG A 11 -7.138 -3.609 -0.483 1.00 8.00 H new ATOM 0 H8 DG A 11 -6.973 -1.216 2.510 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.690 -1.588 -1.129 1.00 8.00 H new ATOM 0 H21 DG A 11 -3.554 -3.782 -3.076 1.00 8.00 H new ATOM 0 H22 DG A 11 -1.984 -3.037 -2.759 1.00 8.00 H new ATOM 360 P DT A 12 -10.718 -5.989 0.306 1.00 8.00 P ATOM 361 OP1 DT A 12 -10.308 -7.243 -0.357 1.00 8.00 O ATOM 362 OP2 DT A 12 -12.133 -5.561 0.286 1.00 8.00 O ATOM 363 O5' DT A 12 -10.228 -6.060 1.843 1.00 8.00 O ATOM 364 C5' DT A 12 -11.176 -6.142 2.891 1.00 8.00 C ATOM 365 C4' DT A 12 -10.559 -6.294 4.281 1.00 8.00 C ATOM 366 O4' DT A 12 -9.813 -7.487 4.364 1.00 8.00 O ATOM 367 C3' DT A 12 -9.675 -5.117 4.710 1.00 8.00 C ATOM 368 O3' DT A 12 -9.999 -4.785 6.048 1.00 8.00 O ATOM 369 C2' DT A 12 -8.255 -5.659 4.686 1.00 8.00 C ATOM 370 C1' DT A 12 -8.456 -7.171 4.592 1.00 8.00 C ATOM 371 N1 DT A 12 -7.664 -7.850 3.551 1.00 8.00 N ATOM 372 C2 DT A 12 -7.289 -9.162 3.844 1.00 8.00 C ATOM 373 O2 DT A 12 -7.571 -9.745 4.888 1.00 8.00 O ATOM 374 N3 DT A 12 -6.541 -9.815 2.897 1.00 8.00 N ATOM 375 C4 DT A 12 -6.178 -9.309 1.666 1.00 8.00 C ATOM 376 O4 DT A 12 -5.531 -10.018 0.904 1.00 8.00 O ATOM 377 C5 DT A 12 -6.629 -7.946 1.411 1.00 8.00 C ATOM 378 C7 DT A 12 -6.328 -7.301 0.080 1.00 8.00 C ATOM 379 C6 DT A 12 -7.345 -7.264 2.340 1.00 8.00 C ATOM 0 H5' DT A 12 -11.836 -6.989 2.704 1.00 8.00 H new ATOM 0 H5'' DT A 12 -11.796 -5.246 2.877 1.00 8.00 H new ATOM 0 H4' DT A 12 -11.405 -6.319 4.968 1.00 8.00 H new ATOM 0 H3' DT A 12 -9.802 -4.242 4.072 1.00 8.00 H new ATOM 0 H2' DT A 12 -7.692 -5.275 3.835 1.00 8.00 H new ATOM 0 H2'' DT A 12 -7.704 -5.382 5.584 1.00 8.00 H new ATOM 0 H1' DT A 12 -8.106 -7.536 5.558 1.00 8.00 H new ATOM 0 H3 DT A 12 -6.225 -10.758 3.123 1.00 8.00 H new ATOM 0 H71 DT A 12 -5.397 -7.705 -0.318 1.00 8.00 H new ATOM 0 H72 DT A 12 -7.140 -7.508 -0.617 1.00 8.00 H new ATOM 0 H73 DT A 12 -6.229 -6.224 0.212 1.00 8.00 H new ATOM 0 H6 DT A 12 -7.669 -6.255 2.132 1.00 8.00 H new ATOM 392 P DT A 13 -9.855 -3.291 6.628 1.00 8.00 P ATOM 393 OP1 DT A 13 -10.400 -3.302 8.000 1.00 8.00 O ATOM 394 OP2 DT A 13 -10.404 -2.363 5.623 1.00 8.00 O ATOM 395 O5' DT A 13 -8.270 -3.012 6.731 1.00 8.00 O ATOM 396 C5' DT A 13 -7.496 -3.533 7.801 1.00 8.00 C ATOM 397 C4' DT A 13 -6.049 -3.036 7.761 1.00 8.00 C ATOM 398 O4' DT A 13 -5.384 -3.532 6.616 1.00 8.00 O ATOM 399 C3' DT A 13 -5.947 -1.496 7.750 1.00 8.00 C ATOM 400 O3' DT A 13 -4.875 -0.974 8.522 1.00 8.00 O ATOM 401 C2' DT A 13 -5.567 -1.280 6.298 1.00 8.00 C ATOM 402 C1' DT A 13 -4.619 -2.442 6.149 1.00 8.00 C ATOM 403 N1 DT A 13 -3.983 -2.667 4.833 1.00 8.00 N ATOM 404 C2 DT A 13 -2.652 -2.272 4.645 1.00 8.00 C ATOM 405 O2 DT A 13 -2.003 -1.605 5.446 1.00 8.00 O ATOM 406 N3 DT A 13 -2.049 -2.720 3.487 1.00 8.00 N ATOM 407 C4 DT A 13 -2.618 -3.607 2.576 1.00 8.00 C ATOM 408 O4 DT A 13 -1.924 -3.953 1.628 1.00 8.00 O ATOM 409 C5 DT A 13 -3.987 -4.043 2.874 1.00 8.00 C ATOM 410 C7 DT A 13 -4.673 -5.095 2.025 1.00 8.00 C ATOM 411 C6 DT A 13 -4.601 -3.542 3.982 1.00 8.00 C ATOM 0 H5' DT A 13 -7.506 -4.622 7.758 1.00 8.00 H new ATOM 0 H5'' DT A 13 -7.951 -3.247 8.749 1.00 8.00 H new ATOM 0 H4' DT A 13 -5.578 -3.407 8.671 1.00 8.00 H new ATOM 0 H3' DT A 13 -6.850 -1.027 8.141 1.00 8.00 H new ATOM 0 H2' DT A 13 -6.420 -1.339 5.623 1.00 8.00 H new ATOM 0 H2'' DT A 13 -5.088 -0.316 6.123 1.00 8.00 H new ATOM 0 H1' DT A 13 -3.707 -2.253 6.715 1.00 8.00 H new ATOM 0 H3 DT A 13 -1.112 -2.374 3.282 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.295 -5.042 1.004 1.00 8.00 H new ATOM 0 H72 DT A 13 -4.469 -6.084 2.436 1.00 8.00 H new ATOM 0 H73 DT A 13 -5.748 -4.917 2.024 1.00 8.00 H new ATOM 0 H6 DT A 13 -5.614 -3.847 4.197 1.00 8.00 H new ATOM 424 P DG A 14 -4.991 -0.718 10.105 1.00 8.00 P ATOM 425 OP1 DG A 14 -4.567 -1.951 10.800 1.00 8.00 O ATOM 426 OP2 DG A 14 -6.323 -0.128 10.353 1.00 8.00 O ATOM 427 O5' DG A 14 -3.881 0.421 10.340 1.00 8.00 O ATOM 428 C5' DG A 14 -4.078 1.744 9.879 1.00 8.00 C ATOM 429 C4' DG A 14 -2.724 2.440 9.734 1.00 8.00 C ATOM 430 O4' DG A 14 -1.993 1.859 8.667 1.00 8.00 O ATOM 431 C3' DG A 14 -2.825 3.948 9.453 1.00 8.00 C ATOM 432 O3' DG A 14 -2.014 4.634 10.396 1.00 8.00 O ATOM 433 C2' DG A 14 -2.200 4.022 8.071 1.00 8.00 C ATOM 434 C1' DG A 14 -1.197 2.902 8.184 1.00 8.00 C ATOM 435 N9 DG A 14 -0.545 2.604 6.907 1.00 8.00 N ATOM 436 C8 DG A 14 0.762 2.863 6.626 1.00 8.00 C ATOM 437 N7 DG A 14 1.175 2.444 5.465 1.00 8.00 N ATOM 438 C5 DG A 14 -0.001 1.924 4.925 1.00 8.00 C ATOM 439 C6 DG A 14 -0.216 1.320 3.632 1.00 8.00 C ATOM 440 O6 DG A 14 0.600 1.124 2.725 1.00 8.00 O ATOM 441 N1 DG A 14 -1.531 0.937 3.409 1.00 8.00 N ATOM 442 C2 DG A 14 -2.538 1.141 4.306 1.00 8.00 C ATOM 443 N2 DG A 14 -3.758 0.797 3.944 1.00 8.00 N ATOM 444 N3 DG A 14 -2.379 1.703 5.507 1.00 8.00 N ATOM 445 C4 DG A 14 -1.078 2.051 5.768 1.00 8.00 C ATOM 0 H5' DG A 14 -4.709 2.294 10.578 1.00 8.00 H new ATOM 0 H5'' DG A 14 -4.598 1.733 8.921 1.00 8.00 H new ATOM 0 H4' DG A 14 -2.226 2.307 10.695 1.00 8.00 H new ATOM 0 H3' DG A 14 -3.825 4.377 9.513 1.00 8.00 H new ATOM 0 H2' DG A 14 -2.925 3.854 7.275 1.00 8.00 H new ATOM 0 H2'' DG A 14 -1.730 4.986 7.876 1.00 8.00 H new ATOM 0 H1' DG A 14 -0.348 3.124 8.831 1.00 8.00 H new ATOM 0 H8 DG A 14 1.410 3.380 7.318 1.00 8.00 H new ATOM 0 H1 DG A 14 -1.757 0.478 2.526 1.00 8.00 H new ATOM 0 H21 DG A 14 -4.538 0.934 4.587 1.00 8.00 H new ATOM 0 H22 DG A 14 -3.922 0.394 3.021 1.00 8.00 H new ATOM 457 P DG A 15 -1.984 6.244 10.534 1.00 8.00 P ATOM 458 OP1 DG A 15 -1.395 6.564 11.850 1.00 8.00 O ATOM 459 OP2 DG A 15 -3.317 6.761 10.164 1.00 8.00 O ATOM 460 O5' DG A 15 -0.942 6.719 9.400 1.00 8.00 O ATOM 461 C5' DG A 15 0.450 6.504 9.542 1.00 8.00 C ATOM 462 C4' DG A 15 1.230 6.945 8.301 1.00 8.00 C ATOM 463 O4' DG A 15 1.055 5.984 7.265 1.00 8.00 O ATOM 464 C3' DG A 15 0.808 8.323 7.756 1.00 8.00 C ATOM 465 O3' DG A 15 1.931 9.152 7.503 1.00 8.00 O ATOM 466 C2' DG A 15 0.119 7.967 6.447 1.00 8.00 C ATOM 467 C1' DG A 15 0.872 6.693 6.058 1.00 8.00 C ATOM 468 N9 DG A 15 0.238 5.882 5.009 1.00 8.00 N ATOM 469 C8 DG A 15 -1.091 5.619 4.819 1.00 8.00 C ATOM 470 N7 DG A 15 -1.396 4.981 3.724 1.00 8.00 N ATOM 471 C5 DG A 15 -0.130 4.805 3.165 1.00 8.00 C ATOM 472 C6 DG A 15 0.230 4.140 1.943 1.00 8.00 C ATOM 473 O6 DG A 15 -0.513 3.588 1.128 1.00 8.00 O ATOM 474 N1 DG A 15 1.595 4.116 1.699 1.00 8.00 N ATOM 475 C2 DG A 15 2.524 4.681 2.520 1.00 8.00 C ATOM 476 N2 DG A 15 3.790 4.559 2.172 1.00 8.00 N ATOM 477 N3 DG A 15 2.223 5.316 3.658 1.00 8.00 N ATOM 478 C4 DG A 15 0.878 5.336 3.929 1.00 8.00 C ATOM 0 H5' DG A 15 0.636 5.446 9.730 1.00 8.00 H new ATOM 0 H5'' DG A 15 0.814 7.051 10.412 1.00 8.00 H new ATOM 0 H4' DG A 15 2.272 7.024 8.612 1.00 8.00 H new ATOM 0 H3' DG A 15 0.183 8.878 8.455 1.00 8.00 H new ATOM 0 H2' DG A 15 -0.949 7.791 6.577 1.00 8.00 H new ATOM 0 H2'' DG A 15 0.224 8.753 5.699 1.00 8.00 H new ATOM 0 HO3' DG A 15 1.628 10.017 7.157 1.00 8.00 H new ATOM 0 H1' DG A 15 1.819 6.957 5.586 1.00 8.00 H new ATOM 0 H8 DG A 15 -1.842 5.922 5.533 1.00 8.00 H new ATOM 0 H1 DG A 15 1.923 3.647 0.854 1.00 8.00 H new ATOM 0 H21 DG A 15 4.521 4.966 2.756 1.00 8.00 H new ATOM 0 H22 DG A 15 4.038 4.058 1.319 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 5.129 7.905 0.084 1.00 8.00 C HETATM 493 C5 1CF A 101 4.560 7.565 -1.291 1.00 8.00 C HETATM 494 C6 1CF A 101 3.182 6.936 -1.229 1.00 8.00 C HETATM 495 C11 1CF A 101 8.819 6.120 -5.042 1.00 8.00 C HETATM 496 C12 1CF A 101 8.629 6.881 -3.736 1.00 8.00 C HETATM 497 C3 1CF A 101 6.509 8.508 -0.087 1.00 8.00 C HETATM 498 O11 1CF A 101 10.087 5.514 -5.078 1.00 8.00 O HETATM 499 C1 1CF A 101 6.816 7.202 -2.195 1.00 8.00 C HETATM 500 C2 1CF A 101 7.439 7.523 -0.818 1.00 8.00 C HETATM 501 O2 1CF A 101 8.713 8.174 -0.985 1.00 8.00 O HETATM 502 O3 1CF A 101 6.944 8.817 1.251 1.00 8.00 O HETATM 503 O4 1CF A 101 5.237 6.691 0.869 1.00 8.00 O HETATM 504 O5 1CF A 101 5.480 6.627 -1.965 1.00 8.00 O HETATM 505 O1 1CF A 101 7.632 6.255 -2.956 1.00 8.00 O