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= -0.0341 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.0529 (180deg=-0.731) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.629 (180deg=-1.73!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.255 4.688 -6.709 1.00 8.00 P ATOM 2 OP1 DG A 1 11.685 4.320 -6.759 1.00 8.00 O ATOM 3 OP2 DG A 1 9.629 5.408 -7.839 1.00 8.00 O ATOM 4 O5' DG A 1 9.393 3.352 -6.426 1.00 8.00 O ATOM 5 C5' DG A 1 9.821 2.347 -5.516 1.00 8.00 C ATOM 6 C4' DG A 1 9.811 2.815 -4.054 1.00 8.00 C ATOM 7 O4' DG A 1 8.519 3.256 -3.654 1.00 8.00 O ATOM 8 C3' DG A 1 10.192 1.684 -3.086 1.00 8.00 C ATOM 9 O3' DG A 1 11.387 2.016 -2.399 1.00 8.00 O ATOM 10 C2' DG A 1 9.012 1.651 -2.118 1.00 8.00 C ATOM 11 C1' DG A 1 8.466 3.058 -2.263 1.00 8.00 C ATOM 12 N9 DG A 1 7.129 3.196 -1.653 1.00 8.00 N ATOM 13 C8 DG A 1 6.867 3.679 -0.393 1.00 8.00 C ATOM 14 N7 DG A 1 5.603 3.771 -0.079 1.00 8.00 N ATOM 15 C5 DG A 1 5.003 3.207 -1.209 1.00 8.00 C ATOM 16 C6 DG A 1 3.612 2.902 -1.437 1.00 8.00 C ATOM 17 O6 DG A 1 2.650 3.135 -0.701 1.00 8.00 O ATOM 18 N1 DG A 1 3.365 2.225 -2.621 1.00 8.00 N ATOM 19 C2 DG A 1 4.338 1.853 -3.496 1.00 8.00 C ATOM 20 N2 DG A 1 3.965 1.164 -4.556 1.00 8.00 N ATOM 21 N3 DG A 1 5.634 2.132 -3.327 1.00 8.00 N ATOM 22 C4 DG A 1 5.910 2.807 -2.162 1.00 8.00 C ATOM 0 H5' DG A 1 10.829 2.029 -5.783 1.00 8.00 H new ATOM 0 H5'' DG A 1 9.175 1.475 -5.617 1.00 8.00 H new ATOM 0 H4' DG A 1 10.537 3.627 -4.008 1.00 8.00 H new ATOM 0 H3' DG A 1 10.371 0.728 -3.578 1.00 8.00 H new ATOM 0 H2' DG A 1 8.277 0.895 -2.393 1.00 8.00 H new ATOM 0 H2'' DG A 1 9.325 1.435 -1.096 1.00 8.00 H new ATOM 0 H1' DG A 1 9.028 3.826 -1.731 1.00 8.00 H new ATOM 0 H8 DG A 1 7.653 3.963 0.291 1.00 8.00 H new ATOM 0 H1 DG A 1 2.398 1.992 -2.849 1.00 8.00 H new ATOM 0 H21 DG A 1 4.660 0.863 -5.239 1.00 8.00 H new ATOM 0 H22 DG A 1 2.981 0.931 -4.693 1.00 8.00 H new ATOM 34 P DG A 2 12.274 0.894 -1.652 1.00 8.00 P ATOM 35 OP1 DG A 2 13.577 1.502 -1.308 1.00 8.00 O ATOM 36 OP2 DG A 2 12.214 -0.342 -2.459 1.00 8.00 O ATOM 37 O5' DG A 2 11.459 0.643 -0.282 1.00 8.00 O ATOM 38 C5' DG A 2 11.537 1.575 0.784 1.00 8.00 C ATOM 39 C4' DG A 2 10.778 1.124 2.038 1.00 8.00 C ATOM 40 O4' DG A 2 9.385 1.367 1.900 1.00 8.00 O ATOM 41 C3' DG A 2 10.985 -0.358 2.366 1.00 8.00 C ATOM 42 O3' DG A 2 11.153 -0.485 3.768 1.00 8.00 O ATOM 43 C2' DG A 2 9.672 -0.989 1.931 1.00 8.00 C ATOM 44 C1' DG A 2 8.682 0.167 2.164 1.00 8.00 C ATOM 45 N9 DG A 2 7.459 0.194 1.342 1.00 8.00 N ATOM 46 C8 DG A 2 7.290 -0.285 0.078 1.00 8.00 C ATOM 47 N7 DG A 2 6.067 -0.274 -0.373 1.00 8.00 N ATOM 48 C5 DG A 2 5.384 0.312 0.689 1.00 8.00 C ATOM 49 C6 DG A 2 3.962 0.500 0.871 1.00 8.00 C ATOM 50 O6 DG A 2 3.044 0.172 0.111 1.00 8.00 O ATOM 51 N1 DG A 2 3.622 1.072 2.090 1.00 8.00 N ATOM 52 C2 DG A 2 4.534 1.409 3.049 1.00 8.00 C ATOM 53 N2 DG A 2 4.081 1.876 4.193 1.00 8.00 N ATOM 54 N3 DG A 2 5.858 1.229 2.916 1.00 8.00 N ATOM 55 C4 DG A 2 6.218 0.658 1.726 1.00 8.00 C ATOM 0 H5' DG A 2 11.138 2.533 0.450 1.00 8.00 H new ATOM 0 H5'' DG A 2 12.584 1.738 1.040 1.00 8.00 H new ATOM 0 H4' DG A 2 11.188 1.712 2.859 1.00 8.00 H new ATOM 0 H3' DG A 2 11.851 -0.813 1.885 1.00 8.00 H new ATOM 0 H2' DG A 2 9.695 -1.305 0.888 1.00 8.00 H new ATOM 0 H2'' DG A 2 9.423 -1.868 2.525 1.00 8.00 H new ATOM 0 H1' DG A 2 8.328 0.035 3.187 1.00 8.00 H new ATOM 0 H8 DG A 2 8.117 -0.651 -0.513 1.00 8.00 H new ATOM 0 H1 DG A 2 2.636 1.250 2.280 1.00 8.00 H new ATOM 0 H21 DG A 2 4.734 2.138 4.932 1.00 8.00 H new ATOM 0 H22 DG A 2 3.077 1.976 4.341 1.00 8.00 H new ATOM 67 P DT A 3 12.145 -1.589 4.403 1.00 8.00 P ATOM 68 OP1 DT A 3 12.260 -1.315 5.852 1.00 8.00 O ATOM 69 OP2 DT A 3 13.362 -1.652 3.569 1.00 8.00 O ATOM 70 O5' DT A 3 11.347 -2.969 4.220 1.00 8.00 O ATOM 71 C5' DT A 3 11.949 -4.197 4.597 1.00 8.00 C ATOM 72 C4' DT A 3 10.992 -5.368 4.393 1.00 8.00 C ATOM 73 O4' DT A 3 9.886 -5.228 5.264 1.00 8.00 O ATOM 74 C3' DT A 3 10.437 -5.455 2.970 1.00 8.00 C ATOM 75 O3' DT A 3 10.851 -6.622 2.291 1.00 8.00 O ATOM 76 C2' DT A 3 8.945 -5.582 3.208 1.00 8.00 C ATOM 77 C1' DT A 3 8.819 -5.938 4.687 1.00 8.00 C ATOM 78 N1 DT A 3 7.476 -5.588 5.235 1.00 8.00 N ATOM 79 C2 DT A 3 7.330 -5.374 6.621 1.00 8.00 C ATOM 80 O2 DT A 3 8.213 -5.489 7.459 1.00 8.00 O ATOM 81 N3 DT A 3 6.058 -5.088 7.063 1.00 8.00 N ATOM 82 C4 DT A 3 4.907 -5.148 6.317 1.00 8.00 C ATOM 83 O4 DT A 3 3.835 -4.960 6.876 1.00 8.00 O ATOM 84 C5 DT A 3 5.114 -5.479 4.909 1.00 8.00 C ATOM 85 C7 DT A 3 3.933 -5.659 3.980 1.00 8.00 C ATOM 86 C6 DT A 3 6.363 -5.668 4.421 1.00 8.00 C ATOM 0 H5' DT A 3 12.252 -4.150 5.643 1.00 8.00 H new ATOM 0 H5'' DT A 3 12.853 -4.357 4.010 1.00 8.00 H new ATOM 0 H4' DT A 3 11.569 -6.271 4.595 1.00 8.00 H new ATOM 0 H3' DT A 3 10.763 -4.607 2.368 1.00 8.00 H new ATOM 0 H2' DT A 3 8.427 -4.651 2.979 1.00 8.00 H new ATOM 0 H2'' DT A 3 8.507 -6.354 2.576 1.00 8.00 H new ATOM 0 H1' DT A 3 8.883 -7.006 4.897 1.00 8.00 H new ATOM 0 H3 DT A 3 5.961 -4.804 8.038 1.00 8.00 H new ATOM 0 H71 DT A 3 4.219 -5.374 2.968 1.00 8.00 H new ATOM 0 H72 DT A 3 3.620 -6.703 3.988 1.00 8.00 H new ATOM 0 H73 DT A 3 3.108 -5.030 4.314 1.00 8.00 H new ATOM 0 H6 DT A 3 6.492 -5.886 3.371 1.00 8.00 H new ATOM 99 P DT A 4 11.027 -6.601 0.688 1.00 8.00 P ATOM 100 OP1 DT A 4 11.256 -7.994 0.249 1.00 8.00 O ATOM 101 OP2 DT A 4 12.014 -5.549 0.373 1.00 8.00 O ATOM 102 O5' DT A 4 9.584 -6.110 0.138 1.00 8.00 O ATOM 103 C5' DT A 4 8.539 -7.024 -0.149 1.00 8.00 C ATOM 104 C4' DT A 4 7.252 -6.295 -0.547 1.00 8.00 C ATOM 105 O4' DT A 4 6.613 -5.609 0.506 1.00 8.00 O ATOM 106 C3' DT A 4 7.366 -5.330 -1.743 1.00 8.00 C ATOM 107 O3' DT A 4 6.538 -5.726 -2.820 1.00 8.00 O ATOM 108 C2' DT A 4 6.750 -4.070 -1.160 1.00 8.00 C ATOM 109 C1' DT A 4 5.776 -4.682 -0.160 1.00 8.00 C ATOM 110 N1 DT A 4 5.219 -3.714 0.802 1.00 8.00 N ATOM 111 C2 DT A 4 3.853 -3.413 0.786 1.00 8.00 C ATOM 112 O2 DT A 4 3.080 -3.793 -0.079 1.00 8.00 O ATOM 113 N3 DT A 4 3.393 -2.654 1.841 1.00 8.00 N ATOM 114 C4 DT A 4 4.140 -2.232 2.920 1.00 8.00 C ATOM 115 O4 DT A 4 3.574 -1.633 3.823 1.00 8.00 O ATOM 116 C5 DT A 4 5.567 -2.549 2.841 1.00 8.00 C ATOM 117 C7 DT A 4 6.492 -2.103 3.954 1.00 8.00 C ATOM 118 C6 DT A 4 6.049 -3.251 1.777 1.00 8.00 C ATOM 0 H5' DT A 4 8.350 -7.649 0.724 1.00 8.00 H new ATOM 0 H5'' DT A 4 8.847 -7.689 -0.956 1.00 8.00 H new ATOM 0 H4' DT A 4 6.639 -7.142 -0.854 1.00 8.00 H new ATOM 0 H3' DT A 4 8.384 -5.257 -2.125 1.00 8.00 H new ATOM 0 H2' DT A 4 7.490 -3.429 -0.681 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.246 -3.466 -1.915 1.00 8.00 H new ATOM 0 H1' DT A 4 4.893 -5.100 -0.644 1.00 8.00 H new ATOM 0 H3 DT A 4 2.411 -2.380 1.821 1.00 8.00 H new ATOM 0 H71 DT A 4 6.110 -1.184 4.399 1.00 8.00 H new ATOM 0 H72 DT A 4 6.545 -2.880 4.716 1.00 8.00 H new ATOM 0 H73 DT A 4 7.488 -1.923 3.549 1.00 8.00 H new ATOM 0 H6 DT A 4 7.109 -3.444 1.706 1.00 8.00 H new ATOM 131 P DG A 5 7.013 -6.838 -3.879 1.00 8.00 P ATOM 132 OP1 DG A 5 7.175 -8.116 -3.154 1.00 8.00 O ATOM 133 OP2 DG A 5 8.132 -6.273 -4.664 1.00 8.00 O ATOM 134 O5' DG A 5 5.719 -6.947 -4.825 1.00 8.00 O ATOM 135 C5' DG A 5 5.401 -5.921 -5.746 1.00 8.00 C ATOM 136 C4' DG A 5 3.990 -6.151 -6.292 1.00 8.00 C ATOM 137 O4' DG A 5 3.040 -5.697 -5.341 1.00 8.00 O ATOM 138 C3' DG A 5 3.751 -5.351 -7.580 1.00 8.00 C ATOM 139 O3' DG A 5 2.903 -6.126 -8.421 1.00 8.00 O ATOM 140 C2' DG A 5 3.041 -4.122 -7.028 1.00 8.00 C ATOM 141 C1' DG A 5 2.155 -4.839 -6.020 1.00 8.00 C ATOM 142 N9 DG A 5 1.410 -3.992 -5.074 1.00 8.00 N ATOM 143 C8 DG A 5 0.058 -4.054 -4.849 1.00 8.00 C ATOM 144 N7 DG A 5 -0.383 -3.297 -3.883 1.00 8.00 N ATOM 145 C5 DG A 5 0.797 -2.704 -3.433 1.00 8.00 C ATOM 146 C6 DG A 5 0.993 -1.815 -2.313 1.00 8.00 C ATOM 147 O6 DG A 5 0.140 -1.344 -1.550 1.00 8.00 O ATOM 148 N1 DG A 5 2.315 -1.467 -2.093 1.00 8.00 N ATOM 149 C2 DG A 5 3.351 -1.919 -2.854 1.00 8.00 C ATOM 150 N2 DG A 5 4.562 -1.540 -2.503 1.00 8.00 N ATOM 151 N3 DG A 5 3.206 -2.735 -3.907 1.00 8.00 N ATOM 152 C4 DG A 5 1.906 -3.107 -4.139 1.00 8.00 C ATOM 0 H5' DG A 5 6.123 -5.913 -6.563 1.00 8.00 H new ATOM 0 H5'' DG A 5 5.461 -4.948 -5.259 1.00 8.00 H new ATOM 0 H4' DG A 5 3.886 -7.217 -6.494 1.00 8.00 H new ATOM 0 H3' DG A 5 4.631 -5.100 -8.173 1.00 8.00 H new ATOM 0 H2' DG A 5 3.722 -3.407 -6.566 1.00 8.00 H new ATOM 0 H2'' DG A 5 2.475 -3.580 -7.785 1.00 8.00 H new ATOM 0 H1' DG A 5 1.346 -5.340 -6.551 1.00 8.00 H new ATOM 0 H8 DG A 5 -0.596 -4.686 -5.432 1.00 8.00 H new ATOM 0 H1 DG A 5 2.525 -0.837 -1.318 1.00 8.00 H new ATOM 0 H21 DG A 5 5.370 -1.852 -3.041 1.00 8.00 H new ATOM 0 H22 DG A 5 4.692 -0.934 -1.693 1.00 8.00 H new ATOM 164 P DG A 6 2.515 -5.677 -9.921 1.00 8.00 P ATOM 165 OP1 DG A 6 1.967 -6.858 -10.620 1.00 8.00 O ATOM 166 OP2 DG A 6 3.659 -4.935 -10.489 1.00 8.00 O ATOM 167 O5' DG A 6 1.305 -4.638 -9.691 1.00 8.00 O ATOM 168 C5' DG A 6 0.014 -5.086 -9.317 1.00 8.00 C ATOM 169 C4' DG A 6 -0.910 -3.916 -8.962 1.00 8.00 C ATOM 170 O4' DG A 6 -0.464 -3.297 -7.761 1.00 8.00 O ATOM 171 C3' DG A 6 -1.004 -2.822 -10.042 1.00 8.00 C ATOM 172 O3' DG A 6 -2.369 -2.491 -10.248 1.00 8.00 O ATOM 173 C2' DG A 6 -0.255 -1.668 -9.396 1.00 8.00 C ATOM 174 C1' DG A 6 -0.674 -1.913 -7.940 1.00 8.00 C ATOM 175 N9 DG A 6 0.009 -1.103 -6.908 1.00 8.00 N ATOM 176 C8 DG A 6 1.334 -0.723 -6.775 1.00 8.00 C ATOM 177 N7 DG A 6 1.601 -0.041 -5.703 1.00 8.00 N ATOM 178 C5 DG A 6 0.349 0.093 -5.121 1.00 8.00 C ATOM 179 C6 DG A 6 -0.011 0.778 -3.909 1.00 8.00 C ATOM 180 O6 DG A 6 0.727 1.365 -3.111 1.00 8.00 O ATOM 181 N1 DG A 6 -1.364 0.731 -3.622 1.00 8.00 N ATOM 182 C2 DG A 6 -2.275 0.057 -4.377 1.00 8.00 C ATOM 183 N2 DG A 6 -3.512 0.005 -3.928 1.00 8.00 N ATOM 184 N3 DG A 6 -1.973 -0.599 -5.509 1.00 8.00 N ATOM 185 C4 DG A 6 -0.639 -0.537 -5.833 1.00 8.00 C ATOM 0 H5' DG A 6 0.095 -5.758 -8.463 1.00 8.00 H new ATOM 0 H5'' DG A 6 -0.423 -5.660 -10.134 1.00 8.00 H new ATOM 0 H4' DG A 6 -1.901 -4.358 -8.859 1.00 8.00 H new ATOM 0 H3' DG A 6 -0.600 -3.102 -11.015 1.00 8.00 H new ATOM 0 H2' DG A 6 0.823 -1.729 -9.542 1.00 8.00 H new ATOM 0 H2'' DG A 6 -0.573 -0.695 -9.770 1.00 8.00 H new ATOM 0 H1' DG A 6 -1.706 -1.594 -7.795 1.00 8.00 H new ATOM 0 H8 DG A 6 2.087 -0.975 -7.507 1.00 8.00 H new ATOM 0 H1 DG A 6 -1.698 1.230 -2.797 1.00 8.00 H new ATOM 0 H21 DG A 6 -4.228 -0.489 -4.461 1.00 8.00 H new ATOM 0 H22 DG A 6 -3.754 0.459 -3.047 1.00 8.00 H new ATOM 197 P DT A 7 -2.856 -1.594 -11.504 1.00 8.00 P ATOM 198 OP1 DT A 7 -3.827 -2.414 -12.258 1.00 8.00 O ATOM 199 OP2 DT A 7 -1.660 -1.095 -12.219 1.00 8.00 O ATOM 200 O5' DT A 7 -3.645 -0.336 -10.854 1.00 8.00 O ATOM 201 C5' DT A 7 -3.339 0.202 -9.571 1.00 8.00 C ATOM 202 C4' DT A 7 -4.451 1.145 -9.086 1.00 8.00 C ATOM 203 O4' DT A 7 -5.688 0.470 -9.231 1.00 8.00 O ATOM 204 C3' DT A 7 -4.289 1.432 -7.579 1.00 8.00 C ATOM 205 O3' DT A 7 -4.957 2.606 -7.164 1.00 8.00 O ATOM 206 C2' DT A 7 -5.047 0.271 -6.966 1.00 8.00 C ATOM 207 C1' DT A 7 -6.225 0.226 -7.954 1.00 8.00 C ATOM 208 N1 DT A 7 -6.981 -1.045 -8.016 1.00 8.00 N ATOM 209 C2 DT A 7 -8.349 -0.954 -8.298 1.00 8.00 C ATOM 210 O2 DT A 7 -8.954 0.101 -8.466 1.00 8.00 O ATOM 211 N3 DT A 7 -9.045 -2.140 -8.360 1.00 8.00 N ATOM 212 C4 DT A 7 -8.514 -3.398 -8.176 1.00 8.00 C ATOM 213 O4 DT A 7 -9.262 -4.366 -8.248 1.00 8.00 O ATOM 214 C5 DT A 7 -7.079 -3.421 -7.911 1.00 8.00 C ATOM 215 C7 DT A 7 -6.359 -4.732 -7.685 1.00 8.00 C ATOM 216 C6 DT A 7 -6.365 -2.269 -7.855 1.00 8.00 C ATOM 0 H5' DT A 7 -2.394 0.743 -9.616 1.00 8.00 H new ATOM 0 H5'' DT A 7 -3.208 -0.609 -8.855 1.00 8.00 H new ATOM 0 H4' DT A 7 -4.405 2.071 -9.659 1.00 8.00 H new ATOM 0 H3' DT A 7 -3.240 1.550 -7.308 1.00 8.00 H new ATOM 0 H2' DT A 7 -4.469 -0.653 -6.953 1.00 8.00 H new ATOM 0 H2'' DT A 7 -5.361 0.464 -5.940 1.00 8.00 H new ATOM 0 H1' DT A 7 -6.945 0.967 -7.607 1.00 8.00 H new ATOM 0 H3 DT A 7 -10.044 -2.082 -8.560 1.00 8.00 H new ATOM 0 H71 DT A 7 -5.327 -4.644 -8.026 1.00 8.00 H new ATOM 0 H72 DT A 7 -6.371 -4.975 -6.623 1.00 8.00 H new ATOM 0 H73 DT A 7 -6.859 -5.523 -8.244 1.00 8.00 H new ATOM 0 H6 DT A 7 -5.300 -2.310 -7.682 1.00 8.00 H new ATOM 229 P DG A 8 -4.325 4.066 -7.369 1.00 8.00 P ATOM 230 OP1 DG A 8 -5.424 5.047 -7.281 1.00 8.00 O ATOM 231 OP2 DG A 8 -3.447 4.022 -8.557 1.00 8.00 O ATOM 232 O5' DG A 8 -3.392 4.226 -6.066 1.00 8.00 O ATOM 233 C5' DG A 8 -3.916 4.073 -4.760 1.00 8.00 C ATOM 234 C4' DG A 8 -2.986 4.659 -3.687 1.00 8.00 C ATOM 235 O4' DG A 8 -1.806 3.881 -3.533 1.00 8.00 O ATOM 236 C3' DG A 8 -2.586 6.108 -3.979 1.00 8.00 C ATOM 237 O3' DG A 8 -2.700 6.901 -2.812 1.00 8.00 O ATOM 238 C2' DG A 8 -1.120 6.026 -4.367 1.00 8.00 C ATOM 239 C1' DG A 8 -0.664 4.641 -3.902 1.00 8.00 C ATOM 240 N9 DG A 8 0.055 3.970 -5.006 1.00 8.00 N ATOM 241 C8 DG A 8 -0.468 3.207 -6.017 1.00 8.00 C ATOM 242 N7 DG A 8 0.405 2.812 -6.897 1.00 8.00 N ATOM 243 C5 DG A 8 1.601 3.364 -6.444 1.00 8.00 C ATOM 244 C6 DG A 8 2.937 3.289 -6.969 1.00 8.00 C ATOM 245 O6 DG A 8 3.359 2.702 -7.961 1.00 8.00 O ATOM 246 N1 DG A 8 3.864 3.979 -6.214 1.00 8.00 N ATOM 247 C2 DG A 8 3.565 4.681 -5.084 1.00 8.00 C ATOM 248 N2 DG A 8 4.576 5.256 -4.474 1.00 8.00 N ATOM 249 N3 DG A 8 2.338 4.768 -4.559 1.00 8.00 N ATOM 250 C4 DG A 8 1.399 4.085 -5.282 1.00 8.00 C ATOM 0 H5' DG A 8 -4.079 3.014 -4.558 1.00 8.00 H new ATOM 0 H5'' DG A 8 -4.888 4.562 -4.701 1.00 8.00 H new ATOM 0 H4' DG A 8 -3.562 4.638 -2.762 1.00 8.00 H new ATOM 0 H3' DG A 8 -3.217 6.553 -4.748 1.00 8.00 H new ATOM 0 H2' DG A 8 -0.989 6.144 -5.443 1.00 8.00 H new ATOM 0 H2'' DG A 8 -0.540 6.814 -3.887 1.00 8.00 H new ATOM 0 H1' DG A 8 0.003 4.732 -3.045 1.00 8.00 H new ATOM 0 H8 DG A 8 -1.516 2.955 -6.078 1.00 8.00 H new ATOM 0 H1 DG A 8 4.836 3.963 -6.522 1.00 8.00 H new ATOM 0 H21 DG A 8 4.418 5.796 -3.623 1.00 8.00 H new ATOM 0 H22 DG A 8 5.519 5.163 -4.851 1.00 8.00 H new ATOM 262 P DT A 9 -3.779 8.096 -2.693 1.00 8.00 P ATOM 263 OP1 DT A 9 -4.714 8.046 -3.837 1.00 8.00 O ATOM 264 OP2 DT A 9 -3.045 9.344 -2.396 1.00 8.00 O ATOM 265 O5' DT A 9 -4.583 7.666 -1.373 1.00 8.00 O ATOM 266 C5' DT A 9 -5.634 6.713 -1.390 1.00 8.00 C ATOM 267 C4' DT A 9 -6.180 6.512 0.030 1.00 8.00 C ATOM 268 O4' DT A 9 -5.134 6.012 0.850 1.00 8.00 O ATOM 269 C3' DT A 9 -6.669 7.836 0.642 1.00 8.00 C ATOM 270 O3' DT A 9 -7.769 7.685 1.519 1.00 8.00 O ATOM 271 C2' DT A 9 -5.482 8.281 1.471 1.00 8.00 C ATOM 272 C1' DT A 9 -4.859 6.947 1.879 1.00 8.00 C ATOM 273 N1 DT A 9 -3.404 7.136 2.107 1.00 8.00 N ATOM 274 C2 DT A 9 -3.028 7.712 3.328 1.00 8.00 C ATOM 275 O2 DT A 9 -3.789 7.832 4.293 1.00 8.00 O ATOM 276 N3 DT A 9 -1.721 8.136 3.423 1.00 8.00 N ATOM 277 C4 DT A 9 -0.736 7.932 2.480 1.00 8.00 C ATOM 278 O4 DT A 9 0.397 8.317 2.737 1.00 8.00 O ATOM 279 C5 DT A 9 -1.181 7.263 1.258 1.00 8.00 C ATOM 280 C7 DT A 9 -0.193 7.019 0.131 1.00 8.00 C ATOM 281 C6 DT A 9 -2.483 6.912 1.101 1.00 8.00 C ATOM 0 H5' DT A 9 -5.271 5.765 -1.787 1.00 8.00 H new ATOM 0 H5'' DT A 9 -6.432 7.050 -2.051 1.00 8.00 H new ATOM 0 H4' DT A 9 -7.019 5.819 -0.024 1.00 8.00 H new ATOM 0 H3' DT A 9 -6.998 8.520 -0.140 1.00 8.00 H new ATOM 0 H2' DT A 9 -4.790 8.895 0.895 1.00 8.00 H new ATOM 0 H2'' DT A 9 -5.787 8.870 2.336 1.00 8.00 H new ATOM 0 H1' DT A 9 -5.279 6.569 2.811 1.00 8.00 H new ATOM 0 H3 DT A 9 -1.458 8.646 4.266 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.477 6.118 -0.413 1.00 8.00 H new ATOM 0 H72 DT A 9 -0.199 7.871 -0.549 1.00 8.00 H new ATOM 0 H73 DT A 9 0.807 6.892 0.545 1.00 8.00 H new ATOM 0 H6 DT A 9 -2.803 6.452 0.178 1.00 8.00 H new ATOM 294 P DG A 10 -9.277 7.592 0.964 1.00 8.00 P ATOM 295 OP1 DG A 10 -9.368 8.395 -0.274 1.00 8.00 O ATOM 296 OP2 DG A 10 -10.192 7.851 2.094 1.00 8.00 O ATOM 297 O5' DG A 10 -9.389 6.044 0.567 1.00 8.00 O ATOM 298 C5' DG A 10 -9.356 5.027 1.549 1.00 8.00 C ATOM 299 C4' DG A 10 -9.470 3.689 0.829 1.00 8.00 C ATOM 300 O4' DG A 10 -8.261 3.420 0.134 1.00 8.00 O ATOM 301 C3' DG A 10 -9.708 2.499 1.772 1.00 8.00 C ATOM 302 O3' DG A 10 -10.849 1.780 1.321 1.00 8.00 O ATOM 303 C2' DG A 10 -8.430 1.685 1.595 1.00 8.00 C ATOM 304 C1' DG A 10 -8.107 2.024 0.151 1.00 8.00 C ATOM 305 N9 DG A 10 -6.742 1.623 -0.282 1.00 8.00 N ATOM 306 C8 DG A 10 -6.373 0.781 -1.320 1.00 8.00 C ATOM 307 N7 DG A 10 -5.117 0.842 -1.652 1.00 8.00 N ATOM 308 C5 DG A 10 -4.603 1.702 -0.691 1.00 8.00 C ATOM 309 C6 DG A 10 -3.233 2.099 -0.489 1.00 8.00 C ATOM 310 O6 DG A 10 -2.241 1.787 -1.154 1.00 8.00 O ATOM 311 N1 DG A 10 -3.034 2.893 0.628 1.00 8.00 N ATOM 312 C2 DG A 10 -4.019 3.216 1.509 1.00 8.00 C ATOM 313 N2 DG A 10 -3.649 3.821 2.626 1.00 8.00 N ATOM 314 N3 DG A 10 -5.305 2.869 1.344 1.00 8.00 N ATOM 315 C4 DG A 10 -5.546 2.124 0.213 1.00 8.00 C ATOM 0 H5' DG A 10 -10.175 5.152 2.257 1.00 8.00 H new ATOM 0 H5'' DG A 10 -8.429 5.077 2.121 1.00 8.00 H new ATOM 0 H4' DG A 10 -10.329 3.784 0.165 1.00 8.00 H new ATOM 0 H3' DG A 10 -9.897 2.762 2.813 1.00 8.00 H new ATOM 0 H2' DG A 10 -7.641 1.991 2.282 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.590 0.618 1.748 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.748 1.485 -0.546 1.00 8.00 H new ATOM 0 H8 DG A 10 -7.074 0.125 -1.815 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.096 3.256 0.800 1.00 8.00 H new ATOM 0 H21 DG A 10 -4.349 4.084 3.319 1.00 8.00 H new ATOM 0 H22 DG A 10 -2.664 4.024 2.794 1.00 8.00 H new ATOM 327 P DG A 11 -11.460 0.536 2.154 1.00 8.00 P ATOM 328 OP1 DG A 11 -12.878 0.373 1.765 1.00 8.00 O ATOM 329 OP2 DG A 11 -11.090 0.746 3.570 1.00 8.00 O ATOM 330 O5' DG A 11 -10.612 -0.712 1.569 1.00 8.00 O ATOM 331 C5' DG A 11 -10.687 -1.080 0.199 1.00 8.00 C ATOM 332 C4' DG A 11 -9.677 -2.177 -0.165 1.00 8.00 C ATOM 333 O4' DG A 11 -8.349 -1.663 -0.146 1.00 8.00 O ATOM 334 C3' DG A 11 -9.742 -3.380 0.779 1.00 8.00 C ATOM 335 O3' DG A 11 -9.921 -4.589 0.071 1.00 8.00 O ATOM 336 C2' DG A 11 -8.362 -3.420 1.407 1.00 8.00 C ATOM 337 C1' DG A 11 -7.503 -2.665 0.386 1.00 8.00 C ATOM 338 N9 DG A 11 -6.243 -2.057 0.870 1.00 8.00 N ATOM 339 C8 DG A 11 -6.018 -1.330 2.015 1.00 8.00 C ATOM 340 N7 DG A 11 -4.831 -0.815 2.123 1.00 8.00 N ATOM 341 C5 DG A 11 -4.214 -1.266 0.967 1.00 8.00 C ATOM 342 C6 DG A 11 -2.855 -1.054 0.536 1.00 8.00 C ATOM 343 O6 DG A 11 -1.966 -0.408 1.105 1.00 8.00 O ATOM 344 N1 DG A 11 -2.547 -1.665 -0.668 1.00 8.00 N ATOM 345 C2 DG A 11 -3.414 -2.463 -1.355 1.00 8.00 C ATOM 346 N2 DG A 11 -2.945 -3.055 -2.439 1.00 8.00 N ATOM 347 N3 DG A 11 -4.688 -2.689 -0.972 1.00 8.00 N ATOM 348 C4 DG A 11 -5.032 -2.056 0.197 1.00 8.00 C ATOM 0 H5' DG A 11 -10.506 -0.202 -0.421 1.00 8.00 H new ATOM 0 H5'' DG A 11 -11.695 -1.428 -0.027 1.00 8.00 H new ATOM 0 H4' DG A 11 -9.945 -2.512 -1.167 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.568 -3.284 1.483 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.348 -2.937 2.384 1.00 8.00 H new ATOM 0 H2'' DG A 11 -8.013 -4.442 1.552 1.00 8.00 H new ATOM 0 H1' DG A 11 -7.144 -3.398 -0.336 1.00 8.00 H new ATOM 0 H8 DG A 11 -6.776 -1.196 2.772 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.620 -1.510 -1.063 1.00 8.00 H new ATOM 0 H21 DG A 11 -3.551 -3.663 -2.991 1.00 8.00 H new ATOM 0 H22 DG A 11 -1.977 -2.904 -2.724 1.00 8.00 H new ATOM 360 P DT A 12 -10.936 -5.699 0.638 1.00 8.00 P ATOM 361 OP1 DT A 12 -10.679 -6.976 -0.058 1.00 8.00 O ATOM 362 OP2 DT A 12 -12.288 -5.104 0.643 1.00 8.00 O ATOM 363 O5' DT A 12 -10.424 -5.838 2.168 1.00 8.00 O ATOM 364 C5' DT A 12 -11.341 -5.808 3.248 1.00 8.00 C ATOM 365 C4' DT A 12 -10.682 -5.976 4.625 1.00 8.00 C ATOM 366 O4' DT A 12 -10.022 -7.225 4.715 1.00 8.00 O ATOM 367 C3' DT A 12 -9.697 -4.868 5.015 1.00 8.00 C ATOM 368 O3' DT A 12 -9.961 -4.473 6.348 1.00 8.00 O ATOM 369 C2' DT A 12 -8.327 -5.532 4.966 1.00 8.00 C ATOM 370 C1' DT A 12 -8.631 -7.034 4.899 1.00 8.00 C ATOM 371 N1 DT A 12 -7.913 -7.776 3.830 1.00 8.00 N ATOM 372 C2 DT A 12 -7.514 -9.088 4.117 1.00 8.00 C ATOM 373 O2 DT A 12 -7.677 -9.633 5.203 1.00 8.00 O ATOM 374 N3 DT A 12 -6.889 -9.780 3.103 1.00 8.00 N ATOM 375 C4 DT A 12 -6.658 -9.313 1.826 1.00 8.00 C ATOM 376 O4 DT A 12 -6.097 -10.051 1.027 1.00 8.00 O ATOM 377 C5 DT A 12 -7.118 -7.947 1.585 1.00 8.00 C ATOM 378 C7 DT A 12 -6.949 -7.316 0.216 1.00 8.00 C ATOM 379 C6 DT A 12 -7.710 -7.236 2.578 1.00 8.00 C ATOM 0 H5' DT A 12 -12.078 -6.599 3.109 1.00 8.00 H new ATOM 0 H5'' DT A 12 -11.882 -4.862 3.227 1.00 8.00 H new ATOM 0 H4' DT A 12 -11.511 -5.915 5.330 1.00 8.00 H new ATOM 0 H3' DT A 12 -9.767 -3.996 4.365 1.00 8.00 H new ATOM 0 H2' DT A 12 -7.757 -5.203 4.097 1.00 8.00 H new ATOM 0 H2'' DT A 12 -7.735 -5.286 5.847 1.00 8.00 H new ATOM 0 H1' DT A 12 -8.277 -7.440 5.847 1.00 8.00 H new ATOM 0 H3 DT A 12 -6.568 -10.724 3.316 1.00 8.00 H new ATOM 0 H71 DT A 12 -6.066 -7.732 -0.270 1.00 8.00 H new ATOM 0 H72 DT A 12 -7.830 -7.524 -0.392 1.00 8.00 H new ATOM 0 H73 DT A 12 -6.829 -6.238 0.324 1.00 8.00 H new ATOM 0 H6 DT A 12 -8.030 -6.223 2.383 1.00 8.00 H new ATOM 392 P DT A 13 -9.600 -2.996 6.888 1.00 8.00 P ATOM 393 OP1 DT A 13 -10.099 -2.902 8.275 1.00 8.00 O ATOM 394 OP2 DT A 13 -10.058 -2.036 5.867 1.00 8.00 O ATOM 395 O5' DT A 13 -7.985 -2.939 6.917 1.00 8.00 O ATOM 396 C5' DT A 13 -7.230 -3.550 7.952 1.00 8.00 C ATOM 397 C4' DT A 13 -5.737 -3.221 7.816 1.00 8.00 C ATOM 398 O4' DT A 13 -5.189 -3.759 6.623 1.00 8.00 O ATOM 399 C3' DT A 13 -5.457 -1.703 7.811 1.00 8.00 C ATOM 400 O3' DT A 13 -4.343 -1.342 8.606 1.00 8.00 O ATOM 401 C2' DT A 13 -5.046 -1.496 6.370 1.00 8.00 C ATOM 402 C1' DT A 13 -4.292 -2.775 6.139 1.00 8.00 C ATOM 403 N1 DT A 13 -3.772 -3.017 4.782 1.00 8.00 N ATOM 404 C2 DT A 13 -2.456 -2.649 4.469 1.00 8.00 C ATOM 405 O2 DT A 13 -1.740 -1.975 5.194 1.00 8.00 O ATOM 406 N3 DT A 13 -1.957 -3.126 3.275 1.00 8.00 N ATOM 407 C4 DT A 13 -2.627 -3.937 2.387 1.00 8.00 C ATOM 408 O4 DT A 13 -2.069 -4.266 1.349 1.00 8.00 O ATOM 409 C5 DT A 13 -3.970 -4.328 2.817 1.00 8.00 C ATOM 410 C7 DT A 13 -4.764 -5.314 1.996 1.00 8.00 C ATOM 411 C6 DT A 13 -4.484 -3.847 3.979 1.00 8.00 C ATOM 0 H5' DT A 13 -7.372 -4.630 7.920 1.00 8.00 H new ATOM 0 H5'' DT A 13 -7.594 -3.209 8.921 1.00 8.00 H new ATOM 0 H4' DT A 13 -5.268 -3.672 8.690 1.00 8.00 H new ATOM 0 H3' DT A 13 -6.306 -1.131 8.186 1.00 8.00 H new ATOM 0 H2' DT A 13 -5.901 -1.388 5.702 1.00 8.00 H new ATOM 0 H2'' DT A 13 -4.422 -0.612 6.235 1.00 8.00 H new ATOM 0 H1' DT A 13 -3.335 -2.766 6.660 1.00 8.00 H new ATOM 0 H3 DT A 13 -1.006 -2.853 3.028 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.482 -5.224 0.947 1.00 8.00 H new ATOM 0 H72 DT A 13 -4.556 -6.326 2.342 1.00 8.00 H new ATOM 0 H73 DT A 13 -5.828 -5.105 2.105 1.00 8.00 H new ATOM 0 H6 DT A 13 -5.484 -4.132 4.271 1.00 8.00 H new ATOM 424 P DG A 14 -4.463 -1.140 10.193 1.00 8.00 P ATOM 425 OP1 DG A 14 -4.017 -2.391 10.838 1.00 8.00 O ATOM 426 OP2 DG A 14 -5.798 -0.580 10.488 1.00 8.00 O ATOM 427 O5' DG A 14 -3.364 0.009 10.440 1.00 8.00 O ATOM 428 C5' DG A 14 -3.577 1.334 9.987 1.00 8.00 C ATOM 429 C4' DG A 14 -2.238 2.070 9.920 1.00 8.00 C ATOM 430 O4' DG A 14 -1.443 1.548 8.868 1.00 8.00 O ATOM 431 C3' DG A 14 -2.394 3.576 9.675 1.00 8.00 C ATOM 432 O3' DG A 14 -1.595 4.296 10.603 1.00 8.00 O ATOM 433 C2' DG A 14 -1.804 3.700 8.285 1.00 8.00 C ATOM 434 C1' DG A 14 -0.732 2.647 8.368 1.00 8.00 C ATOM 435 N9 DG A 14 -0.123 2.407 7.056 1.00 8.00 N ATOM 436 C8 DG A 14 1.154 2.727 6.714 1.00 8.00 C ATOM 437 N7 DG A 14 1.529 2.326 5.532 1.00 8.00 N ATOM 438 C5 DG A 14 0.347 1.778 5.036 1.00 8.00 C ATOM 439 C6 DG A 14 0.078 1.195 3.739 1.00 8.00 C ATOM 440 O6 DG A 14 0.864 1.017 2.799 1.00 8.00 O ATOM 441 N1 DG A 14 -1.248 0.835 3.548 1.00 8.00 N ATOM 442 C2 DG A 14 -2.225 1.028 4.482 1.00 8.00 C ATOM 443 N2 DG A 14 -3.464 0.740 4.140 1.00 8.00 N ATOM 444 N3 DG A 14 -2.009 1.553 5.693 1.00 8.00 N ATOM 445 C4 DG A 14 -0.700 1.883 5.921 1.00 8.00 C ATOM 0 H5' DG A 14 -4.258 1.855 10.660 1.00 8.00 H new ATOM 0 H5'' DG A 14 -4.048 1.323 9.004 1.00 8.00 H new ATOM 0 H4' DG A 14 -1.766 1.920 10.891 1.00 8.00 H new ATOM 0 H3' DG A 14 -3.411 3.956 9.776 1.00 8.00 H new ATOM 0 H2' DG A 14 -2.533 3.493 7.502 1.00 8.00 H new ATOM 0 H2'' DG A 14 -1.400 4.693 8.090 1.00 8.00 H new ATOM 0 H1' DG A 14 0.119 2.910 8.996 1.00 8.00 H new ATOM 0 H8 DG A 14 1.810 3.274 7.375 1.00 8.00 H new ATOM 0 H1 DG A 14 -1.507 0.402 2.661 1.00 8.00 H new ATOM 0 H21 DG A 14 -4.222 0.871 4.810 1.00 8.00 H new ATOM 0 H22 DG A 14 -3.666 0.386 3.205 1.00 8.00 H new ATOM 457 P DG A 15 -1.646 5.906 10.712 1.00 8.00 P ATOM 458 OP1 DG A 15 -1.088 6.296 12.023 1.00 8.00 O ATOM 459 OP2 DG A 15 -3.002 6.344 10.307 1.00 8.00 O ATOM 460 O5' DG A 15 -0.624 6.406 9.569 1.00 8.00 O ATOM 461 C5' DG A 15 0.778 6.219 9.683 1.00 8.00 C ATOM 462 C4' DG A 15 1.503 6.714 8.426 1.00 8.00 C ATOM 463 O4' DG A 15 1.289 5.796 7.366 1.00 8.00 O ATOM 464 C3' DG A 15 1.035 8.104 7.955 1.00 8.00 C ATOM 465 O3' DG A 15 2.146 8.957 7.735 1.00 8.00 O ATOM 466 C2' DG A 15 0.349 7.812 6.627 1.00 8.00 C ATOM 467 C1' DG A 15 1.098 6.552 6.192 1.00 8.00 C ATOM 468 N9 DG A 15 0.453 5.741 5.156 1.00 8.00 N ATOM 469 C8 DG A 15 -0.863 5.397 5.039 1.00 8.00 C ATOM 470 N7 DG A 15 -1.184 4.742 3.959 1.00 8.00 N ATOM 471 C5 DG A 15 0.060 4.630 3.339 1.00 8.00 C ATOM 472 C6 DG A 15 0.401 4.011 2.084 1.00 8.00 C ATOM 473 O6 DG A 15 -0.348 3.447 1.282 1.00 8.00 O ATOM 474 N1 DG A 15 1.749 4.082 1.772 1.00 8.00 N ATOM 475 C2 DG A 15 2.685 4.678 2.561 1.00 8.00 C ATOM 476 N2 DG A 15 3.934 4.665 2.138 1.00 8.00 N ATOM 477 N3 DG A 15 2.403 5.275 3.724 1.00 8.00 N ATOM 478 C4 DG A 15 1.075 5.214 4.056 1.00 8.00 C ATOM 0 H5' DG A 15 0.996 5.163 9.840 1.00 8.00 H new ATOM 0 H5'' DG A 15 1.150 6.755 10.556 1.00 8.00 H new ATOM 0 H4' DG A 15 2.557 6.791 8.691 1.00 8.00 H new ATOM 0 H3' DG A 15 0.393 8.601 8.682 1.00 8.00 H new ATOM 0 H2' DG A 15 -0.721 7.638 6.743 1.00 8.00 H new ATOM 0 H2'' DG A 15 0.463 8.628 5.914 1.00 8.00 H new ATOM 0 HO3' DG A 15 1.830 9.835 7.435 1.00 8.00 H new ATOM 0 H1' DG A 15 2.026 6.863 5.712 1.00 8.00 H new ATOM 0 H8 DG A 15 -1.592 5.652 5.794 1.00 8.00 H new ATOM 0 H1 DG A 15 2.060 3.661 0.896 1.00 8.00 H new ATOM 0 H21 DG A 15 4.667 5.100 2.698 1.00 8.00 H new ATOM 0 H22 DG A 15 4.167 4.220 1.250 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 5.091 8.053 -0.132 1.00 8.00 C HETATM 493 C5 1CF A 101 4.521 7.444 -1.416 1.00 8.00 C HETATM 494 C6 1CF A 101 3.223 6.657 -1.226 1.00 8.00 C HETATM 495 C11 1CF A 101 8.761 6.162 -5.177 1.00 8.00 C HETATM 496 C12 1CF A 101 8.714 6.828 -3.807 1.00 8.00 C HETATM 497 C3 1CF A 101 6.405 8.786 -0.443 1.00 8.00 C HETATM 498 O11 1CF A 101 10.006 5.543 -5.381 1.00 8.00 O HETATM 499 C1 1CF A 101 6.776 7.223 -2.404 1.00 8.00 C HETATM 500 C2 1CF A 101 7.412 7.881 -1.162 1.00 8.00 C HETATM 501 O2 1CF A 101 8.514 8.745 -1.530 1.00 8.00 O HETATM 502 O3 1CF A 101 7.028 9.281 0.764 1.00 8.00 O HETATM 503 O4 1CF A 101 5.369 7.004 0.819 1.00 8.00 O HETATM 504 O5 1CF A 101 5.519 6.553 -2.012 1.00 8.00 O HETATM 505 O1 1CF A 101 7.698 6.247 -2.998 1.00 8.00 O