USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 173 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 53:sc= 0.793 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.781 (180deg=-2.89!) USER MOD Single : A 7 DT C7 :methyl 150:sc= -2.33! (180deg=-2.33!) USER MOD Single : A 9 DT C7 :methyl -30:sc= 0 (180deg=-0.0677) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= 0 (180deg=-0.703) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.190 8.296 -0.224 1.00 0.00 O ATOM 2 C5' DG A 1 -2.928 9.335 0.430 1.00 0.00 C ATOM 3 C4' DG A 1 -2.764 9.298 1.957 1.00 0.00 C ATOM 4 O4' DG A 1 -3.284 8.093 2.554 1.00 0.00 O ATOM 5 C3' DG A 1 -1.333 9.417 2.416 1.00 0.00 C ATOM 6 O3' DG A 1 -1.195 10.204 3.603 1.00 0.00 O ATOM 7 C2' DG A 1 -0.957 7.998 2.641 1.00 0.00 C ATOM 8 C1' DG A 1 -2.199 7.459 3.256 1.00 0.00 C ATOM 9 N9 DG A 1 -2.189 5.992 3.223 1.00 0.00 N ATOM 10 C8 DG A 1 -1.823 5.142 4.206 1.00 0.00 C ATOM 11 N7 DG A 1 -1.890 3.874 3.933 1.00 0.00 N ATOM 12 C5 DG A 1 -2.351 3.891 2.619 1.00 0.00 C ATOM 13 C6 DG A 1 -2.630 2.814 1.753 1.00 0.00 C ATOM 14 O6 DG A 1 -2.515 1.620 1.997 1.00 0.00 O ATOM 15 N1 DG A 1 -3.073 3.252 0.513 1.00 0.00 N ATOM 16 C2 DG A 1 -3.230 4.579 0.154 1.00 0.00 C ATOM 17 N2 DG A 1 -3.653 4.838 -1.081 1.00 0.00 N ATOM 18 N3 DG A 1 -2.971 5.598 0.973 1.00 0.00 N ATOM 19 C4 DG A 1 -2.536 5.181 2.180 1.00 0.00 C ATOM 0 H5' DG A 1 -3.984 9.240 0.178 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.597 10.303 0.055 1.00 0.00 H new ATOM 0 H4' DG A 1 -3.335 10.167 2.284 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.696 9.932 1.697 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.704 7.488 1.712 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.096 7.901 3.302 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.425 7.430 0.170 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.300 7.685 4.317 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.491 5.498 5.170 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.300 2.544 -0.185 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.781 5.803 -1.384 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.849 4.071 -1.724 1.00 0.00 H new ATOM 32 P DG A 2 -0.006 11.286 3.739 1.00 0.00 P ATOM 33 OP1 DG A 2 -0.171 11.968 5.043 1.00 0.00 O ATOM 34 OP2 DG A 2 0.031 12.085 2.494 1.00 0.00 O ATOM 35 O5' DG A 2 1.333 10.376 3.791 1.00 0.00 O ATOM 36 C5' DG A 2 1.805 9.785 5.009 1.00 0.00 C ATOM 37 C4' DG A 2 2.770 8.622 4.774 1.00 0.00 C ATOM 38 O4' DG A 2 2.186 7.519 4.100 1.00 0.00 O ATOM 39 C3' DG A 2 4.085 8.945 4.083 1.00 0.00 C ATOM 40 O3' DG A 2 5.064 8.807 5.116 1.00 0.00 O ATOM 41 C2' DG A 2 4.190 7.809 3.071 1.00 0.00 C ATOM 42 C1' DG A 2 3.300 6.748 3.649 1.00 0.00 C ATOM 43 N9 DG A 2 2.763 5.808 2.688 1.00 0.00 N ATOM 44 C8 DG A 2 2.070 6.090 1.582 1.00 0.00 C ATOM 45 N7 DG A 2 1.664 5.071 0.885 1.00 0.00 N ATOM 46 C5 DG A 2 2.153 3.997 1.629 1.00 0.00 C ATOM 47 C6 DG A 2 2.049 2.599 1.406 1.00 0.00 C ATOM 48 O6 DG A 2 1.489 2.012 0.487 1.00 0.00 O ATOM 49 N1 DG A 2 2.689 1.879 2.404 1.00 0.00 N ATOM 50 C2 DG A 2 3.345 2.437 3.486 1.00 0.00 C ATOM 51 N2 DG A 2 3.903 1.613 4.362 1.00 0.00 N ATOM 52 N3 DG A 2 3.440 3.743 3.695 1.00 0.00 N ATOM 53 C4 DG A 2 2.826 4.453 2.733 1.00 0.00 C ATOM 0 H5' DG A 2 0.953 9.431 5.589 1.00 0.00 H new ATOM 0 H5'' DG A 2 2.303 10.548 5.607 1.00 0.00 H new ATOM 0 H4' DG A 2 3.006 8.362 5.806 1.00 0.00 H new ATOM 0 H3' DG A 2 4.188 9.921 3.608 1.00 0.00 H new ATOM 0 H2' DG A 2 3.855 8.120 2.081 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.217 7.459 2.965 1.00 0.00 H new ATOM 0 H1' DG A 2 3.854 6.155 4.377 1.00 0.00 H new ATOM 0 H8 DG A 2 1.859 7.106 1.284 1.00 0.00 H new ATOM 0 H1 DG A 2 2.675 0.861 2.335 1.00 0.00 H new ATOM 0 H21 DG A 2 4.395 1.988 5.173 1.00 0.00 H new ATOM 0 H22 DG A 2 3.840 0.604 4.225 1.00 0.00 H new ATOM 65 P DT A 3 6.085 9.976 5.508 1.00 0.00 P ATOM 66 OP1 DT A 3 6.822 9.564 6.725 1.00 0.00 O ATOM 67 OP2 DT A 3 5.367 11.271 5.475 1.00 0.00 O ATOM 68 O5' DT A 3 7.072 9.880 4.246 1.00 0.00 O ATOM 69 C5' DT A 3 7.292 10.963 3.340 1.00 0.00 C ATOM 70 C4' DT A 3 7.741 10.455 1.966 1.00 0.00 C ATOM 71 O4' DT A 3 8.818 9.542 2.189 1.00 0.00 O ATOM 72 C3' DT A 3 6.673 9.665 1.184 1.00 0.00 C ATOM 73 O3' DT A 3 6.225 10.438 0.062 1.00 0.00 O ATOM 74 C2' DT A 3 7.412 8.414 0.696 1.00 0.00 C ATOM 75 C1' DT A 3 8.860 8.621 1.097 1.00 0.00 C ATOM 76 N1 DT A 3 9.621 7.432 1.559 1.00 0.00 N ATOM 77 C2 DT A 3 10.681 6.983 0.777 1.00 0.00 C ATOM 78 O2 DT A 3 10.983 7.498 -0.299 1.00 0.00 O ATOM 79 N3 DT A 3 11.394 5.910 1.276 1.00 0.00 N ATOM 80 C4 DT A 3 11.151 5.246 2.465 1.00 0.00 C ATOM 81 O4 DT A 3 11.863 4.302 2.802 1.00 0.00 O ATOM 82 C5 DT A 3 10.028 5.775 3.217 1.00 0.00 C ATOM 83 C7 DT A 3 9.673 5.143 4.567 1.00 0.00 C ATOM 84 C6 DT A 3 9.311 6.825 2.753 1.00 0.00 C ATOM 0 H5' DT A 3 8.049 11.633 3.748 1.00 0.00 H new ATOM 0 H5'' DT A 3 6.376 11.544 3.234 1.00 0.00 H new ATOM 0 H4' DT A 3 7.991 11.338 1.378 1.00 0.00 H new ATOM 0 H3' DT A 3 5.797 9.426 1.787 1.00 0.00 H new ATOM 0 H2' DT A 3 7.003 7.513 1.152 1.00 0.00 H new ATOM 0 H2'' DT A 3 7.316 8.297 -0.383 1.00 0.00 H new ATOM 0 H1' DT A 3 9.383 8.946 0.198 1.00 0.00 H new ATOM 0 H3 DT A 3 12.176 5.575 0.713 1.00 0.00 H new ATOM 0 H71 DT A 3 9.230 5.898 5.217 1.00 0.00 H new ATOM 0 H72 DT A 3 8.960 4.333 4.413 1.00 0.00 H new ATOM 0 H73 DT A 3 10.576 4.748 5.033 1.00 0.00 H new ATOM 0 H6 DT A 3 8.478 7.194 3.333 1.00 0.00 H new ATOM 97 P DT A 4 4.756 10.281 -0.592 1.00 0.00 P ATOM 98 OP1 DT A 4 4.624 11.328 -1.632 1.00 0.00 O ATOM 99 OP2 DT A 4 3.763 10.213 0.503 1.00 0.00 O ATOM 100 O5' DT A 4 4.770 8.837 -1.320 1.00 0.00 O ATOM 101 C5' DT A 4 4.891 8.669 -2.740 1.00 0.00 C ATOM 102 C4' DT A 4 4.193 7.377 -3.210 1.00 0.00 C ATOM 103 O4' DT A 4 4.759 6.161 -2.760 1.00 0.00 O ATOM 104 C3' DT A 4 2.676 7.317 -3.013 1.00 0.00 C ATOM 105 O3' DT A 4 1.899 7.211 -4.230 1.00 0.00 O ATOM 106 C2' DT A 4 2.564 6.088 -2.175 1.00 0.00 C ATOM 107 C1' DT A 4 3.698 5.205 -2.610 1.00 0.00 C ATOM 108 N1 DT A 4 4.168 4.285 -1.566 1.00 0.00 N ATOM 109 C2 DT A 4 3.960 2.918 -1.647 1.00 0.00 C ATOM 110 O2 DT A 4 3.362 2.375 -2.573 1.00 0.00 O ATOM 111 N3 DT A 4 4.477 2.180 -0.595 1.00 0.00 N ATOM 112 C4 DT A 4 5.169 2.693 0.498 1.00 0.00 C ATOM 113 O4 DT A 4 5.586 1.940 1.376 1.00 0.00 O ATOM 114 C5 DT A 4 5.327 4.137 0.481 1.00 0.00 C ATOM 115 C7 DT A 4 6.062 4.846 1.623 1.00 0.00 C ATOM 116 C6 DT A 4 4.824 4.859 -0.537 1.00 0.00 C ATOM 0 H5' DT A 4 5.945 8.637 -3.017 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.453 9.528 -3.249 1.00 0.00 H new ATOM 0 H4' DT A 4 4.389 7.463 -4.279 1.00 0.00 H new ATOM 0 H3' DT A 4 2.272 8.231 -2.579 1.00 0.00 H new ATOM 0 H2' DT A 4 2.637 6.328 -1.114 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.603 5.596 -2.325 1.00 0.00 H new ATOM 0 H1' DT A 4 3.406 4.603 -3.470 1.00 0.00 H new ATOM 0 H3 DT A 4 4.338 1.170 -0.624 1.00 0.00 H new ATOM 0 H71 DT A 4 5.930 4.282 2.546 1.00 0.00 H new ATOM 0 H72 DT A 4 7.124 4.911 1.387 1.00 0.00 H new ATOM 0 H73 DT A 4 5.656 5.850 1.749 1.00 0.00 H new ATOM 0 H6 DT A 4 4.950 5.932 -0.530 1.00 0.00 H new ATOM 129 P DG A 5 1.684 8.432 -5.280 1.00 0.00 P ATOM 130 OP1 DG A 5 2.842 8.442 -6.200 1.00 0.00 O ATOM 131 OP2 DG A 5 1.358 9.651 -4.506 1.00 0.00 O ATOM 132 O5' DG A 5 0.384 8.036 -6.169 1.00 0.00 O ATOM 133 C5' DG A 5 -0.966 8.172 -5.699 1.00 0.00 C ATOM 134 C4' DG A 5 -1.914 7.223 -6.452 1.00 0.00 C ATOM 135 O4' DG A 5 -1.402 5.888 -6.381 1.00 0.00 O ATOM 136 C3' DG A 5 -3.367 7.052 -5.951 1.00 0.00 C ATOM 137 O3' DG A 5 -4.150 6.728 -7.113 1.00 0.00 O ATOM 138 C2' DG A 5 -3.292 5.932 -4.978 1.00 0.00 C ATOM 139 C1' DG A 5 -2.404 5.044 -5.797 1.00 0.00 C ATOM 140 N9 DG A 5 -1.719 3.936 -5.114 1.00 0.00 N ATOM 141 C8 DG A 5 -1.459 2.738 -5.640 1.00 0.00 C ATOM 142 N7 DG A 5 -0.794 1.892 -4.894 1.00 0.00 N ATOM 143 C5 DG A 5 -0.595 2.636 -3.724 1.00 0.00 C ATOM 144 C6 DG A 5 0.068 2.295 -2.498 1.00 0.00 C ATOM 145 O6 DG A 5 0.631 1.248 -2.184 1.00 0.00 O ATOM 146 N1 DG A 5 0.029 3.349 -1.592 1.00 0.00 N ATOM 147 C2 DG A 5 -0.570 4.573 -1.824 1.00 0.00 C ATOM 148 N2 DG A 5 -0.519 5.477 -0.850 1.00 0.00 N ATOM 149 N3 DG A 5 -1.186 4.888 -2.959 1.00 0.00 N ATOM 150 C4 DG A 5 -1.161 3.885 -3.858 1.00 0.00 C ATOM 0 H5' DG A 5 -1.298 9.202 -5.830 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.006 7.958 -4.631 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.953 7.705 -7.429 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.814 7.923 -5.473 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.851 6.220 -4.024 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.262 5.486 -4.759 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.071 4.546 -6.501 1.00 0.00 H new ATOM 0 H8 DG A 5 -1.783 2.477 -6.637 1.00 0.00 H new ATOM 0 H1 DG A 5 0.477 3.208 -0.686 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.949 6.393 -0.981 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.050 5.255 0.028 1.00 0.00 H new ATOM 162 P DG A 6 -5.758 6.576 -7.190 1.00 0.00 P ATOM 163 OP1 DG A 6 -6.147 6.829 -8.594 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.390 7.346 -6.096 1.00 0.00 O ATOM 165 O5' DG A 6 -6.008 5.034 -6.872 1.00 0.00 O ATOM 166 C5' DG A 6 -5.846 4.026 -7.852 1.00 0.00 C ATOM 167 C4' DG A 6 -6.004 2.707 -7.173 1.00 0.00 C ATOM 168 O4' DG A 6 -4.942 2.429 -6.283 1.00 0.00 O ATOM 169 C3' DG A 6 -7.315 2.351 -6.453 1.00 0.00 C ATOM 170 O3' DG A 6 -7.952 1.229 -6.986 1.00 0.00 O ATOM 171 C2' DG A 6 -6.713 1.983 -5.140 1.00 0.00 C ATOM 172 C1' DG A 6 -5.400 1.412 -5.398 1.00 0.00 C ATOM 173 N9 DG A 6 -4.585 1.427 -4.214 1.00 0.00 N ATOM 174 C8 DG A 6 -4.164 2.538 -3.626 1.00 0.00 C ATOM 175 N7 DG A 6 -3.452 2.407 -2.571 1.00 0.00 N ATOM 176 C5 DG A 6 -3.401 1.031 -2.456 1.00 0.00 C ATOM 177 C6 DG A 6 -2.758 0.295 -1.486 1.00 0.00 C ATOM 178 O6 DG A 6 -2.120 0.762 -0.552 1.00 0.00 O ATOM 179 N1 DG A 6 -2.918 -1.051 -1.692 1.00 0.00 N ATOM 180 C2 DG A 6 -3.630 -1.611 -2.740 1.00 0.00 C ATOM 181 N2 DG A 6 -3.633 -2.920 -2.878 1.00 0.00 N ATOM 182 N3 DG A 6 -4.260 -0.906 -3.673 1.00 0.00 N ATOM 183 C4 DG A 6 -4.095 0.409 -3.460 1.00 0.00 C ATOM 0 H5' DG A 6 -4.864 4.101 -8.320 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.586 4.140 -8.644 1.00 0.00 H new ATOM 0 H4' DG A 6 -6.010 2.077 -8.062 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.076 3.130 -6.482 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.629 2.860 -4.499 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.346 1.266 -4.617 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.387 0.380 -5.749 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.411 3.512 -4.021 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.481 -1.687 -1.025 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.151 -3.351 -3.643 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.117 -3.503 -2.219 1.00 0.00 H new ATOM 195 P DT A 7 -9.208 1.273 -7.954 1.00 0.00 P ATOM 196 OP1 DT A 7 -8.696 1.430 -9.331 1.00 0.00 O ATOM 197 OP2 DT A 7 -10.287 2.139 -7.432 1.00 0.00 O ATOM 198 O5' DT A 7 -9.539 -0.247 -7.588 1.00 0.00 O ATOM 199 C5' DT A 7 -10.059 -0.626 -6.303 1.00 0.00 C ATOM 200 C4' DT A 7 -9.560 -1.991 -5.836 1.00 0.00 C ATOM 201 O4' DT A 7 -9.650 -2.917 -6.902 1.00 0.00 O ATOM 202 C3' DT A 7 -8.178 -2.123 -5.212 1.00 0.00 C ATOM 203 O3' DT A 7 -8.183 -3.341 -4.463 1.00 0.00 O ATOM 204 C2' DT A 7 -7.392 -2.319 -6.468 1.00 0.00 C ATOM 205 C1' DT A 7 -8.315 -3.283 -7.241 1.00 0.00 C ATOM 206 N1 DT A 7 -8.315 -3.190 -8.699 1.00 0.00 N ATOM 207 C2 DT A 7 -8.017 -4.314 -9.445 1.00 0.00 C ATOM 208 O2 DT A 7 -7.733 -5.400 -8.938 1.00 0.00 O ATOM 209 N3 DT A 7 -8.066 -4.141 -10.811 1.00 0.00 N ATOM 210 C4 DT A 7 -8.381 -2.967 -11.474 1.00 0.00 C ATOM 211 O4 DT A 7 -8.395 -2.937 -12.702 1.00 0.00 O ATOM 212 C5 DT A 7 -8.676 -1.844 -10.608 1.00 0.00 C ATOM 213 C7 DT A 7 -9.040 -0.500 -11.253 1.00 0.00 C ATOM 214 C6 DT A 7 -8.631 -1.998 -9.264 1.00 0.00 C ATOM 0 H5' DT A 7 -11.148 -0.639 -6.348 1.00 0.00 H new ATOM 0 H5'' DT A 7 -9.779 0.128 -5.567 1.00 0.00 H new ATOM 0 H4' DT A 7 -10.228 -2.189 -4.998 1.00 0.00 H new ATOM 0 H3' DT A 7 -7.833 -1.320 -4.561 1.00 0.00 H new ATOM 0 H2' DT A 7 -7.230 -1.384 -7.004 1.00 0.00 H new ATOM 0 H2'' DT A 7 -6.410 -2.752 -6.277 1.00 0.00 H new ATOM 0 H1' DT A 7 -7.959 -4.277 -6.969 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.850 -4.954 -11.388 1.00 0.00 H new ATOM 0 H71 DT A 7 -9.714 0.048 -10.595 1.00 0.00 H new ATOM 0 H72 DT A 7 -8.134 0.084 -11.412 1.00 0.00 H new ATOM 0 H73 DT A 7 -9.531 -0.677 -12.210 1.00 0.00 H new ATOM 0 H6 DT A 7 -8.851 -1.154 -8.628 1.00 0.00 H new ATOM 227 P DG A 8 -7.038 -3.837 -3.453 1.00 0.00 P ATOM 228 OP1 DG A 8 -5.758 -3.908 -4.193 1.00 0.00 O ATOM 229 OP2 DG A 8 -7.563 -5.043 -2.778 1.00 0.00 O ATOM 230 O5' DG A 8 -6.928 -2.672 -2.357 1.00 0.00 O ATOM 231 C5' DG A 8 -6.347 -2.948 -1.082 1.00 0.00 C ATOM 232 C4' DG A 8 -6.624 -1.770 -0.082 1.00 0.00 C ATOM 233 O4' DG A 8 -5.826 -0.577 -0.148 1.00 0.00 O ATOM 234 C3' DG A 8 -7.886 -1.526 0.721 1.00 0.00 C ATOM 235 O3' DG A 8 -7.672 -2.106 2.006 1.00 0.00 O ATOM 236 C2' DG A 8 -7.823 -0.026 0.792 1.00 0.00 C ATOM 237 C1' DG A 8 -6.396 0.469 0.682 1.00 0.00 C ATOM 238 N9 DG A 8 -6.510 1.581 -0.298 1.00 0.00 N ATOM 239 C8 DG A 8 -6.470 1.430 -1.636 1.00 0.00 C ATOM 240 N7 DG A 8 -6.586 2.508 -2.355 1.00 0.00 N ATOM 241 C5 DG A 8 -6.719 3.495 -1.376 1.00 0.00 C ATOM 242 C6 DG A 8 -6.883 4.908 -1.510 1.00 0.00 C ATOM 243 O6 DG A 8 -6.938 5.588 -2.533 1.00 0.00 O ATOM 244 N1 DG A 8 -6.978 5.525 -0.274 1.00 0.00 N ATOM 245 C2 DG A 8 -6.924 4.873 0.938 1.00 0.00 C ATOM 246 N2 DG A 8 -7.032 5.653 2.004 1.00 0.00 N ATOM 247 N3 DG A 8 -6.771 3.555 1.075 1.00 0.00 N ATOM 248 C4 DG A 8 -6.674 2.932 -0.117 1.00 0.00 C ATOM 0 H5' DG A 8 -5.272 -3.095 -1.190 1.00 0.00 H new ATOM 0 H5'' DG A 8 -6.757 -3.875 -0.682 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.261 -2.637 0.469 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.827 -1.921 0.337 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.423 0.404 -0.010 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.257 0.315 1.732 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.890 0.711 1.617 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.347 0.458 -2.091 1.00 0.00 H new ATOM 0 H1 DG A 8 -7.097 6.538 -0.260 1.00 0.00 H new ATOM 0 H21 DG A 8 -7.001 5.246 2.939 1.00 0.00 H new ATOM 0 H22 DG A 8 -7.146 6.660 1.890 1.00 0.00 H new ATOM 260 P DT A 9 -7.611 -3.705 2.257 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.132 -4.422 1.070 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.191 -3.955 3.594 1.00 0.00 O ATOM 263 O5' DT A 9 -6.009 -3.930 2.321 1.00 0.00 O ATOM 264 C5' DT A 9 -5.143 -4.644 1.405 1.00 0.00 C ATOM 265 C4' DT A 9 -3.941 -5.203 2.295 1.00 0.00 C ATOM 266 O4' DT A 9 -3.222 -4.173 3.031 1.00 0.00 O ATOM 267 C3' DT A 9 -4.134 -6.326 3.370 1.00 0.00 C ATOM 268 O3' DT A 9 -3.065 -7.297 3.333 1.00 0.00 O ATOM 269 C2' DT A 9 -4.179 -5.524 4.664 1.00 0.00 C ATOM 270 C1' DT A 9 -3.115 -4.461 4.461 1.00 0.00 C ATOM 271 N1 DT A 9 -3.335 -3.225 5.258 1.00 0.00 N ATOM 272 C2 DT A 9 -2.758 -3.072 6.508 1.00 0.00 C ATOM 273 O2 DT A 9 -2.065 -3.939 7.034 1.00 0.00 O ATOM 274 N3 DT A 9 -3.006 -1.862 7.140 1.00 0.00 N ATOM 275 C4 DT A 9 -3.772 -0.818 6.638 1.00 0.00 C ATOM 276 O4 DT A 9 -3.922 0.216 7.284 1.00 0.00 O ATOM 277 C5 DT A 9 -4.330 -1.082 5.331 1.00 0.00 C ATOM 278 C7 DT A 9 -5.186 -0.028 4.614 1.00 0.00 C ATOM 279 C6 DT A 9 -4.089 -2.250 4.718 1.00 0.00 C ATOM 0 H5' DT A 9 -4.775 -3.984 0.619 1.00 0.00 H new ATOM 0 H5'' DT A 9 -5.678 -5.457 0.914 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.430 -5.659 1.447 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.025 -6.937 3.223 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.162 -5.082 4.828 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.962 -6.148 5.531 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.135 -4.809 4.788 1.00 0.00 H new ATOM 0 H3 DT A 9 -2.586 -1.727 8.060 1.00 0.00 H new ATOM 0 H71 DT A 9 -5.707 0.581 5.353 1.00 0.00 H new ATOM 0 H72 DT A 9 -4.544 0.609 4.005 1.00 0.00 H new ATOM 0 H73 DT A 9 -5.915 -0.525 3.975 1.00 0.00 H new ATOM 0 H6 DT A 9 -4.522 -2.416 3.742 1.00 0.00 H new ATOM 292 P DG A 10 -3.307 -8.824 2.808 1.00 0.00 P ATOM 293 OP1 DG A 10 -4.728 -9.172 3.035 1.00 0.00 O ATOM 294 OP2 DG A 10 -2.252 -9.688 3.391 1.00 0.00 O ATOM 295 O5' DG A 10 -3.098 -8.757 1.203 1.00 0.00 O ATOM 296 C5' DG A 10 -1.804 -8.938 0.620 1.00 0.00 C ATOM 297 C4' DG A 10 -1.840 -8.892 -0.948 1.00 0.00 C ATOM 298 O4' DG A 10 -2.277 -7.612 -1.439 1.00 0.00 O ATOM 299 C3' DG A 10 -0.579 -9.224 -1.810 1.00 0.00 C ATOM 300 O3' DG A 10 -0.952 -10.026 -2.957 1.00 0.00 O ATOM 301 C2' DG A 10 -0.089 -7.894 -2.286 1.00 0.00 C ATOM 302 C1' DG A 10 -1.428 -7.232 -2.538 1.00 0.00 C ATOM 303 N9 DG A 10 -1.246 -5.792 -2.575 1.00 0.00 N ATOM 304 C8 DG A 10 -1.405 -4.949 -3.614 1.00 0.00 C ATOM 305 N7 DG A 10 -1.171 -3.699 -3.364 1.00 0.00 N ATOM 306 C5 DG A 10 -0.822 -3.724 -2.016 1.00 0.00 C ATOM 307 C6 DG A 10 -0.456 -2.671 -1.155 1.00 0.00 C ATOM 308 O6 DG A 10 -0.394 -1.472 -1.391 1.00 0.00 O ATOM 309 N1 DG A 10 -0.179 -3.099 0.113 1.00 0.00 N ATOM 310 C2 DG A 10 -0.244 -4.413 0.543 1.00 0.00 C ATOM 311 N2 DG A 10 0.040 -4.680 1.819 1.00 0.00 N ATOM 312 N3 DG A 10 -0.591 -5.419 -0.267 1.00 0.00 N ATOM 313 C4 DG A 10 -0.863 -5.000 -1.525 1.00 0.00 C ATOM 0 H5' DG A 10 -1.394 -9.895 0.943 1.00 0.00 H new ATOM 0 H5'' DG A 10 -1.132 -8.163 0.988 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.521 -9.731 -1.086 1.00 0.00 H new ATOM 0 H3' DG A 10 0.168 -9.780 -1.243 1.00 0.00 H new ATOM 0 H2' DG A 10 0.506 -7.371 -1.538 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.522 -7.967 -3.186 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.868 -7.537 -3.487 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.708 -5.293 -4.592 1.00 0.00 H new ATOM 0 H1 DG A 10 0.098 -2.394 0.797 1.00 0.00 H new ATOM 0 H21 DG A 10 -0.001 -5.640 2.160 1.00 0.00 H new ATOM 0 H22 DG A 10 0.298 -3.924 2.453 1.00 0.00 H new ATOM 325 P DG A 11 0.121 -10.632 -4.019 1.00 0.00 P ATOM 326 OP1 DG A 11 -0.618 -11.448 -5.010 1.00 0.00 O ATOM 327 OP2 DG A 11 1.214 -11.256 -3.239 1.00 0.00 O ATOM 328 O5' DG A 11 0.730 -9.335 -4.792 1.00 0.00 O ATOM 329 C5' DG A 11 0.201 -8.855 -6.044 1.00 0.00 C ATOM 330 C4' DG A 11 0.835 -7.529 -6.530 1.00 0.00 C ATOM 331 O4' DG A 11 0.614 -6.429 -5.655 1.00 0.00 O ATOM 332 C3' DG A 11 2.330 -7.569 -6.853 1.00 0.00 C ATOM 333 O3' DG A 11 2.442 -7.659 -8.279 1.00 0.00 O ATOM 334 C2' DG A 11 2.885 -6.286 -6.212 1.00 0.00 C ATOM 335 C1' DG A 11 1.646 -5.477 -5.938 1.00 0.00 C ATOM 336 N9 DG A 11 1.830 -4.728 -4.722 1.00 0.00 N ATOM 337 C8 DG A 11 2.274 -5.178 -3.542 1.00 0.00 C ATOM 338 N7 DG A 11 2.401 -4.282 -2.604 1.00 0.00 N ATOM 339 C5 DG A 11 1.981 -3.122 -3.271 1.00 0.00 C ATOM 340 C6 DG A 11 1.876 -1.789 -2.822 1.00 0.00 C ATOM 341 O6 DG A 11 2.164 -1.334 -1.720 1.00 0.00 O ATOM 342 N1 DG A 11 1.402 -0.945 -3.816 1.00 0.00 N ATOM 343 C2 DG A 11 1.069 -1.325 -5.100 1.00 0.00 C ATOM 344 N2 DG A 11 0.609 -0.388 -5.929 1.00 0.00 N ATOM 345 N3 DG A 11 1.175 -2.578 -5.526 1.00 0.00 N ATOM 346 C4 DG A 11 1.630 -3.406 -4.564 1.00 0.00 C ATOM 0 H5' DG A 11 -0.875 -8.715 -5.942 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.352 -9.619 -6.807 1.00 0.00 H new ATOM 0 H4' DG A 11 0.297 -7.386 -7.467 1.00 0.00 H new ATOM 0 H3' DG A 11 2.900 -8.413 -6.464 1.00 0.00 H new ATOM 0 H2' DG A 11 3.438 -6.499 -5.297 1.00 0.00 H new ATOM 0 H2'' DG A 11 3.568 -5.763 -6.882 1.00 0.00 H new ATOM 0 H1' DG A 11 1.422 -4.814 -6.774 1.00 0.00 H new ATOM 0 H8 DG A 11 2.512 -6.219 -3.378 1.00 0.00 H new ATOM 0 H1 DG A 11 1.290 0.040 -3.577 1.00 0.00 H new ATOM 0 H21 DG A 11 0.353 -0.634 -6.885 1.00 0.00 H new ATOM 0 H22 DG A 11 0.513 0.575 -5.607 1.00 0.00 H new ATOM 358 P DT A 12 3.271 -8.867 -8.941 1.00 0.00 P ATOM 359 OP1 DT A 12 3.275 -8.708 -10.413 1.00 0.00 O ATOM 360 OP2 DT A 12 2.870 -10.149 -8.317 1.00 0.00 O ATOM 361 O5' DT A 12 4.684 -8.410 -8.367 1.00 0.00 O ATOM 362 C5' DT A 12 5.894 -9.155 -8.297 1.00 0.00 C ATOM 363 C4' DT A 12 6.982 -8.162 -7.928 1.00 0.00 C ATOM 364 O4' DT A 12 6.952 -7.123 -8.920 1.00 0.00 O ATOM 365 C3' DT A 12 6.636 -7.435 -6.616 1.00 0.00 C ATOM 366 O3' DT A 12 7.152 -8.070 -5.439 1.00 0.00 O ATOM 367 C2' DT A 12 7.260 -6.069 -6.844 1.00 0.00 C ATOM 368 C1' DT A 12 7.570 -5.980 -8.327 1.00 0.00 C ATOM 369 N1 DT A 12 7.164 -4.681 -8.940 1.00 0.00 N ATOM 370 C2 DT A 12 8.143 -3.687 -8.987 1.00 0.00 C ATOM 371 O2 DT A 12 9.282 -3.839 -8.547 1.00 0.00 O ATOM 372 N3 DT A 12 7.771 -2.486 -9.557 1.00 0.00 N ATOM 373 C4 DT A 12 6.533 -2.181 -10.081 1.00 0.00 C ATOM 374 O4 DT A 12 6.331 -1.069 -10.565 1.00 0.00 O ATOM 375 C5 DT A 12 5.566 -3.259 -10.002 1.00 0.00 C ATOM 376 C7 DT A 12 4.157 -3.008 -10.556 1.00 0.00 C ATOM 377 C6 DT A 12 5.893 -4.457 -9.448 1.00 0.00 C ATOM 0 H5' DT A 12 6.112 -9.634 -9.251 1.00 0.00 H new ATOM 0 H5'' DT A 12 5.821 -9.947 -7.552 1.00 0.00 H new ATOM 0 H4' DT A 12 7.929 -8.695 -7.848 1.00 0.00 H new ATOM 0 H3' DT A 12 5.564 -7.418 -6.421 1.00 0.00 H new ATOM 0 H2' DT A 12 6.577 -5.275 -6.542 1.00 0.00 H new ATOM 0 H2'' DT A 12 8.167 -5.953 -6.250 1.00 0.00 H new ATOM 0 H1' DT A 12 8.645 -5.993 -8.506 1.00 0.00 H new ATOM 0 H3 DT A 12 8.480 -1.754 -9.594 1.00 0.00 H new ATOM 0 H71 DT A 12 3.738 -3.945 -10.922 1.00 0.00 H new ATOM 0 H72 DT A 12 3.521 -2.610 -9.766 1.00 0.00 H new ATOM 0 H73 DT A 12 4.210 -2.290 -11.375 1.00 0.00 H new ATOM 0 H6 DT A 12 5.154 -5.243 -9.403 1.00 0.00 H new ATOM 390 P DT A 13 6.380 -7.992 -4.017 1.00 0.00 P ATOM 391 OP1 DT A 13 7.043 -8.948 -3.102 1.00 0.00 O ATOM 392 OP2 DT A 13 4.924 -8.111 -4.263 1.00 0.00 O ATOM 393 O5' DT A 13 6.661 -6.494 -3.476 1.00 0.00 O ATOM 394 C5' DT A 13 7.769 -6.187 -2.617 1.00 0.00 C ATOM 395 C4' DT A 13 7.447 -5.022 -1.668 1.00 0.00 C ATOM 396 O4' DT A 13 7.254 -3.763 -2.351 1.00 0.00 O ATOM 397 C3' DT A 13 6.174 -5.294 -0.839 1.00 0.00 C ATOM 398 O3' DT A 13 6.289 -4.956 0.554 1.00 0.00 O ATOM 399 C2' DT A 13 5.204 -4.348 -1.505 1.00 0.00 C ATOM 400 C1' DT A 13 6.044 -3.149 -1.874 1.00 0.00 C ATOM 401 N1 DT A 13 5.386 -2.261 -2.870 1.00 0.00 N ATOM 402 C2 DT A 13 4.982 -0.983 -2.475 1.00 0.00 C ATOM 403 O2 DT A 13 5.114 -0.535 -1.334 1.00 0.00 O ATOM 404 N3 DT A 13 4.387 -0.212 -3.456 1.00 0.00 N ATOM 405 C4 DT A 13 4.161 -0.587 -4.770 1.00 0.00 C ATOM 406 O4 DT A 13 3.625 0.192 -5.556 1.00 0.00 O ATOM 407 C5 DT A 13 4.607 -1.927 -5.088 1.00 0.00 C ATOM 408 C7 DT A 13 4.402 -2.482 -6.501 1.00 0.00 C ATOM 409 C6 DT A 13 5.189 -2.701 -4.154 1.00 0.00 C ATOM 0 H5' DT A 13 8.639 -5.933 -3.222 1.00 0.00 H new ATOM 0 H5'' DT A 13 8.033 -7.069 -2.034 1.00 0.00 H new ATOM 0 H4' DT A 13 8.322 -4.948 -1.022 1.00 0.00 H new ATOM 0 H3' DT A 13 5.907 -6.351 -0.829 1.00 0.00 H new ATOM 0 H2' DT A 13 4.749 -4.801 -2.386 1.00 0.00 H new ATOM 0 H2'' DT A 13 4.392 -4.073 -0.832 1.00 0.00 H new ATOM 0 H1' DT A 13 6.217 -2.464 -1.044 1.00 0.00 H new ATOM 0 H3 DT A 13 4.085 0.724 -3.186 1.00 0.00 H new ATOM 0 H71 DT A 13 3.511 -2.035 -6.942 1.00 0.00 H new ATOM 0 H72 DT A 13 5.270 -2.243 -7.115 1.00 0.00 H new ATOM 0 H73 DT A 13 4.279 -3.564 -6.453 1.00 0.00 H new ATOM 0 H6 DT A 13 5.510 -3.697 -4.423 1.00 0.00 H new ATOM 422 P DG A 14 7.137 -5.838 1.609 1.00 0.00 P ATOM 423 OP1 DG A 14 8.460 -5.193 1.767 1.00 0.00 O ATOM 424 OP2 DG A 14 7.058 -7.259 1.200 1.00 0.00 O ATOM 425 O5' DG A 14 6.327 -5.675 3.002 1.00 0.00 O ATOM 426 C5' DG A 14 6.909 -6.093 4.250 1.00 0.00 C ATOM 427 C4' DG A 14 5.978 -5.908 5.458 1.00 0.00 C ATOM 428 O4' DG A 14 5.555 -4.532 5.555 1.00 0.00 O ATOM 429 C3' DG A 14 4.694 -6.749 5.437 1.00 0.00 C ATOM 430 O3' DG A 14 4.273 -7.034 6.788 1.00 0.00 O ATOM 431 C2' DG A 14 3.800 -5.804 4.679 1.00 0.00 C ATOM 432 C1' DG A 14 4.143 -4.453 5.286 1.00 0.00 C ATOM 433 N9 DG A 14 3.840 -3.304 4.411 1.00 0.00 N ATOM 434 C8 DG A 14 3.885 -1.984 4.726 1.00 0.00 C ATOM 435 N7 DG A 14 3.583 -1.163 3.774 1.00 0.00 N ATOM 436 C5 DG A 14 3.305 -2.010 2.712 1.00 0.00 C ATOM 437 C6 DG A 14 2.911 -1.691 1.394 1.00 0.00 C ATOM 438 O6 DG A 14 2.741 -0.574 0.912 1.00 0.00 O ATOM 439 N1 DG A 14 2.730 -2.830 0.628 1.00 0.00 N ATOM 440 C2 DG A 14 2.900 -4.124 1.076 1.00 0.00 C ATOM 441 N2 DG A 14 2.665 -5.097 0.194 1.00 0.00 N ATOM 442 N3 DG A 14 3.269 -4.424 2.321 1.00 0.00 N ATOM 443 C4 DG A 14 3.455 -3.322 3.083 1.00 0.00 C ATOM 0 H5' DG A 14 7.826 -5.529 4.420 1.00 0.00 H new ATOM 0 H5'' DG A 14 7.189 -7.144 4.176 1.00 0.00 H new ATOM 0 H4' DG A 14 6.582 -6.237 6.303 1.00 0.00 H new ATOM 0 H3' DG A 14 4.744 -7.740 4.985 1.00 0.00 H new ATOM 0 H2' DG A 14 4.001 -5.829 3.608 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.747 -6.051 4.811 1.00 0.00 H new ATOM 0 H1' DG A 14 3.537 -4.271 6.174 1.00 0.00 H new ATOM 0 H8 DG A 14 4.157 -1.640 5.713 1.00 0.00 H new ATOM 0 H1 DG A 14 2.449 -2.703 -0.344 1.00 0.00 H new ATOM 0 H21 DG A 14 2.775 -6.073 0.470 1.00 0.00 H new ATOM 0 H22 DG A 14 2.376 -4.865 -0.756 1.00 0.00 H new ATOM 455 P DG A 15 2.754 -6.991 7.359 1.00 0.00 P ATOM 456 OP1 DG A 15 2.717 -7.748 8.630 1.00 0.00 O ATOM 457 OP2 DG A 15 1.827 -7.354 6.262 1.00 0.00 O ATOM 458 O5' DG A 15 2.531 -5.427 7.700 1.00 0.00 O ATOM 459 C5' DG A 15 3.234 -4.764 8.763 1.00 0.00 C ATOM 460 C4' DG A 15 2.502 -3.504 9.261 1.00 0.00 C ATOM 461 O4' DG A 15 2.277 -2.603 8.155 1.00 0.00 O ATOM 462 C3' DG A 15 1.113 -3.799 9.848 1.00 0.00 C ATOM 463 O3' DG A 15 0.691 -2.707 10.673 1.00 0.00 O ATOM 464 C2' DG A 15 0.305 -3.781 8.578 1.00 0.00 C ATOM 465 C1' DG A 15 0.868 -2.570 7.855 1.00 0.00 C ATOM 466 N9 DG A 15 0.620 -2.563 6.398 1.00 0.00 N ATOM 467 C8 DG A 15 0.921 -3.493 5.449 1.00 0.00 C ATOM 468 N7 DG A 15 0.596 -3.192 4.226 1.00 0.00 N ATOM 469 C5 DG A 15 0.019 -1.934 4.375 1.00 0.00 C ATOM 470 C6 DG A 15 -0.533 -1.067 3.399 1.00 0.00 C ATOM 471 O6 DG A 15 -0.623 -1.243 2.187 1.00 0.00 O ATOM 472 N1 DG A 15 -1.009 0.104 3.966 1.00 0.00 N ATOM 473 C2 DG A 15 -0.960 0.419 5.307 1.00 0.00 C ATOM 474 N2 DG A 15 -1.464 1.597 5.681 1.00 0.00 N ATOM 475 N3 DG A 15 -0.435 -0.393 6.227 1.00 0.00 N ATOM 476 C4 DG A 15 0.030 -1.545 5.693 1.00 0.00 C ATOM 0 H5' DG A 15 4.231 -4.488 8.418 1.00 0.00 H new ATOM 0 H5'' DG A 15 3.365 -5.456 9.595 1.00 0.00 H new ATOM 0 H4' DG A 15 3.142 -3.081 10.035 1.00 0.00 H new ATOM 0 H3' DG A 15 1.045 -4.702 10.455 1.00 0.00 H new ATOM 0 H2' DG A 15 0.434 -4.696 8.000 1.00 0.00 H new ATOM 0 H2'' DG A 15 -0.762 -3.677 8.776 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.196 -2.900 11.043 1.00 0.00 H new ATOM 0 H1' DG A 15 0.376 -1.657 8.192 1.00 0.00 H new ATOM 0 H8 DG A 15 1.402 -4.427 5.698 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.431 0.790 3.339 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.448 1.870 6.664 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.865 2.224 4.984 1.00 0.00 H new TER 489 DG A 15