USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.456 (180deg=-1.55) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 30:sc= 0.0633 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.435 (180deg=-0.978) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.754 (180deg=-2.34!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.799 -8.323 -1.156 1.00 0.00 O ATOM 2 C5' DG A 1 2.041 -8.760 -1.690 1.00 0.00 C ATOM 3 C4' DG A 1 3.260 -8.083 -1.035 1.00 0.00 C ATOM 4 O4' DG A 1 3.284 -6.695 -1.365 1.00 0.00 O ATOM 5 C3' DG A 1 3.299 -8.212 0.492 1.00 0.00 C ATOM 6 O3' DG A 1 4.637 -8.433 0.910 1.00 0.00 O ATOM 7 C2' DG A 1 2.758 -6.869 0.914 1.00 0.00 C ATOM 8 C1' DG A 1 3.274 -5.933 -0.167 1.00 0.00 C ATOM 9 N9 DG A 1 2.382 -4.761 -0.295 1.00 0.00 N ATOM 10 C8 DG A 1 1.032 -4.753 -0.525 1.00 0.00 C ATOM 11 N7 DG A 1 0.502 -3.564 -0.588 1.00 0.00 N ATOM 12 C5 DG A 1 1.580 -2.709 -0.339 1.00 0.00 C ATOM 13 C6 DG A 1 1.664 -1.275 -0.263 1.00 0.00 C ATOM 14 O6 DG A 1 0.793 -0.424 -0.441 1.00 0.00 O ATOM 15 N1 DG A 1 2.936 -0.823 0.038 1.00 0.00 N ATOM 16 C2 DG A 1 4.010 -1.635 0.241 1.00 0.00 C ATOM 17 N2 DG A 1 5.150 -1.064 0.542 1.00 0.00 N ATOM 18 N3 DG A 1 3.974 -2.964 0.166 1.00 0.00 N ATOM 19 C4 DG A 1 2.731 -3.442 -0.132 1.00 0.00 C ATOM 0 H5' DG A 1 2.057 -8.562 -2.762 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.123 -9.840 -1.564 1.00 0.00 H new ATOM 0 H4' DG A 1 4.131 -8.605 -1.430 1.00 0.00 H new ATOM 0 H3' DG A 1 2.734 -9.041 0.919 1.00 0.00 H new ATOM 0 H2' DG A 1 1.669 -6.870 0.960 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.119 -6.582 1.902 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.066 -8.786 -1.612 1.00 0.00 H new ATOM 0 H1' DG A 1 4.268 -5.551 0.066 1.00 0.00 H new ATOM 0 H8 DG A 1 0.454 -5.658 -0.644 1.00 0.00 H new ATOM 0 H1 DG A 1 3.079 0.184 0.113 1.00 0.00 H new ATOM 0 H21 DG A 1 5.980 -1.635 0.702 1.00 0.00 H new ATOM 0 H22 DG A 1 5.208 -0.048 0.616 1.00 0.00 H new ATOM 32 P DT A 2 5.036 -8.656 2.460 1.00 0.00 P ATOM 33 OP1 DT A 2 6.133 -9.646 2.507 1.00 0.00 O ATOM 34 OP2 DT A 2 3.796 -8.881 3.232 1.00 0.00 O ATOM 35 O5' DT A 2 5.631 -7.213 2.872 1.00 0.00 O ATOM 36 C5' DT A 2 6.849 -6.747 2.310 1.00 0.00 C ATOM 37 C4' DT A 2 7.359 -5.452 2.958 1.00 0.00 C ATOM 38 O4' DT A 2 6.462 -4.383 2.689 1.00 0.00 O ATOM 39 C3' DT A 2 7.545 -5.555 4.476 1.00 0.00 C ATOM 40 O3' DT A 2 8.750 -4.896 4.832 1.00 0.00 O ATOM 41 C2' DT A 2 6.306 -4.848 5.001 1.00 0.00 C ATOM 42 C1' DT A 2 6.061 -3.796 3.916 1.00 0.00 C ATOM 43 N1 DT A 2 4.645 -3.350 3.793 1.00 0.00 N ATOM 44 C2 DT A 2 4.394 -1.976 3.693 1.00 0.00 C ATOM 45 O2 DT A 2 5.262 -1.114 3.798 1.00 0.00 O ATOM 46 N3 DT A 2 3.091 -1.602 3.448 1.00 0.00 N ATOM 47 C4 DT A 2 2.022 -2.458 3.292 1.00 0.00 C ATOM 48 O4 DT A 2 0.926 -1.986 3.009 1.00 0.00 O ATOM 49 C5 DT A 2 2.336 -3.873 3.469 1.00 0.00 C ATOM 50 C7 DT A 2 1.237 -4.920 3.376 1.00 0.00 C ATOM 51 C6 DT A 2 3.615 -4.266 3.699 1.00 0.00 C ATOM 0 H5' DT A 2 6.708 -6.580 1.242 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.609 -7.521 2.414 1.00 0.00 H new ATOM 0 H4' DT A 2 8.339 -5.268 2.517 1.00 0.00 H new ATOM 0 H3' DT A 2 7.633 -6.565 4.875 1.00 0.00 H new ATOM 0 H2' DT A 2 5.462 -5.529 5.108 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.477 -4.396 5.978 1.00 0.00 H new ATOM 0 H1' DT A 2 6.627 -2.903 4.182 1.00 0.00 H new ATOM 0 H3 DT A 2 2.900 -0.603 3.376 1.00 0.00 H new ATOM 0 H71 DT A 2 0.292 -4.485 3.702 1.00 0.00 H new ATOM 0 H72 DT A 2 1.144 -5.259 2.344 1.00 0.00 H new ATOM 0 H73 DT A 2 1.486 -5.767 4.015 1.00 0.00 H new ATOM 0 H6 DT A 2 3.832 -5.318 3.811 1.00 0.00 H new ATOM 64 P DA A 3 9.335 -4.924 6.338 1.00 0.00 P ATOM 65 OP1 DA A 3 10.804 -4.782 6.258 1.00 0.00 O ATOM 66 OP2 DA A 3 8.738 -6.074 7.050 1.00 0.00 O ATOM 67 O5' DA A 3 8.724 -3.566 6.957 1.00 0.00 O ATOM 68 C5' DA A 3 9.221 -2.305 6.544 1.00 0.00 C ATOM 69 C4' DA A 3 8.551 -1.127 7.260 1.00 0.00 C ATOM 70 O4' DA A 3 7.232 -0.944 6.764 1.00 0.00 O ATOM 71 C3' DA A 3 8.473 -1.275 8.787 1.00 0.00 C ATOM 72 O3' DA A 3 8.998 -0.081 9.345 1.00 0.00 O ATOM 73 C2' DA A 3 6.970 -1.438 9.021 1.00 0.00 C ATOM 74 C1' DA A 3 6.376 -0.656 7.851 1.00 0.00 C ATOM 75 N9 DA A 3 4.997 -1.059 7.487 1.00 0.00 N ATOM 76 C8 DA A 3 4.472 -2.323 7.356 1.00 0.00 C ATOM 77 N7 DA A 3 3.241 -2.358 6.924 1.00 0.00 N ATOM 78 C5 DA A 3 2.913 -1.003 6.799 1.00 0.00 C ATOM 79 C6 DA A 3 1.753 -0.298 6.401 1.00 0.00 C ATOM 80 N6 DA A 3 0.644 -0.887 5.991 1.00 0.00 N ATOM 81 N1 DA A 3 1.720 1.040 6.426 1.00 0.00 N ATOM 82 C2 DA A 3 2.824 1.677 6.813 1.00 0.00 C ATOM 83 N3 DA A 3 3.992 1.154 7.172 1.00 0.00 N ATOM 84 C4 DA A 3 3.970 -0.206 7.149 1.00 0.00 C ATOM 0 H5' DA A 3 9.075 -2.199 5.469 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.295 -2.268 6.725 1.00 0.00 H new ATOM 0 H4' DA A 3 9.185 -0.265 7.052 1.00 0.00 H new ATOM 0 H3' DA A 3 9.030 -2.100 9.231 1.00 0.00 H new ATOM 0 H2' DA A 3 6.667 -2.485 9.007 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.661 -1.029 9.983 1.00 0.00 H new ATOM 0 H1' DA A 3 6.308 0.399 8.117 1.00 0.00 H new ATOM 0 H8 DA A 3 5.033 -3.215 7.592 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.161 -0.324 5.717 1.00 0.00 H new ATOM 0 H62 DA A 3 0.593 -1.905 5.949 1.00 0.00 H new ATOM 0 H2 DA A 3 2.762 2.755 6.838 1.00 0.00 H new ATOM 96 P DC A 4 9.144 0.173 10.934 1.00 0.00 P ATOM 97 OP1 DC A 4 10.465 0.790 11.183 1.00 0.00 O ATOM 98 OP2 DC A 4 8.736 -1.047 11.662 1.00 0.00 O ATOM 99 O5' DC A 4 8.011 1.296 11.132 1.00 0.00 O ATOM 100 C5' DC A 4 8.125 2.544 10.464 1.00 0.00 C ATOM 101 C4' DC A 4 6.825 3.348 10.530 1.00 0.00 C ATOM 102 O4' DC A 4 5.767 2.558 10.008 1.00 0.00 O ATOM 103 C3' DC A 4 6.451 3.800 11.946 1.00 0.00 C ATOM 104 O3' DC A 4 6.130 5.183 11.914 1.00 0.00 O ATOM 105 C2' DC A 4 5.234 2.942 12.263 1.00 0.00 C ATOM 106 C1' DC A 4 4.660 2.685 10.871 1.00 0.00 C ATOM 107 N1 DC A 4 3.794 1.477 10.747 1.00 0.00 N ATOM 108 C2 DC A 4 2.590 1.603 10.051 1.00 0.00 C ATOM 109 O2 DC A 4 2.183 2.695 9.659 1.00 0.00 O ATOM 110 N3 DC A 4 1.822 0.513 9.808 1.00 0.00 N ATOM 111 C4 DC A 4 2.185 -0.657 10.292 1.00 0.00 C ATOM 112 N4 DC A 4 1.434 -1.677 9.962 1.00 0.00 N ATOM 113 C5 DC A 4 3.334 -0.823 11.117 1.00 0.00 C ATOM 114 C6 DC A 4 4.140 0.258 11.283 1.00 0.00 C ATOM 0 H5' DC A 4 8.394 2.374 9.421 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.933 3.123 10.912 1.00 0.00 H new ATOM 0 H4' DC A 4 6.985 4.251 9.941 1.00 0.00 H new ATOM 0 H3' DC A 4 7.239 3.684 12.690 1.00 0.00 H new ATOM 0 H2' DC A 4 5.507 2.016 12.770 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.525 3.461 12.908 1.00 0.00 H new ATOM 0 H1' DC A 4 4.000 3.517 10.626 1.00 0.00 H new ATOM 0 H41 DC A 4 1.662 -2.610 10.305 1.00 0.00 H new ATOM 0 H42 DC A 4 0.621 -1.539 9.362 1.00 0.00 H new ATOM 0 H5 DC A 4 3.555 -1.768 11.591 1.00 0.00 H new ATOM 0 H6 DC A 4 5.060 0.160 11.840 1.00 0.00 H new HETATM 126 P NCX A 5 6.080 6.083 13.253 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.235 7.498 12.855 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.010 5.494 14.241 1.00 0.00 O HETATM 129 O5' NCX A 5 4.575 5.873 13.795 1.00 0.00 O HETATM 130 C5' NCX A 5 3.476 6.558 13.211 1.00 0.00 C HETATM 131 C4' NCX A 5 2.173 6.373 14.005 1.00 0.00 C HETATM 132 O4' NCX A 5 1.559 5.127 13.696 1.00 0.00 O HETATM 133 C1' NCX A 5 1.235 4.475 14.912 1.00 0.00 C HETATM 134 N9 NCX A 5 1.180 3.012 14.693 1.00 0.00 N HETATM 135 C8 NCX A 5 2.175 2.062 14.935 1.00 0.00 C HETATM 136 C7 NCX A 5 1.676 0.794 14.685 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.495 -0.432 14.753 1.00 0.00 C HETATM 138 O7 NCX A 5 3.623 -0.509 15.179 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.965 -1.546 14.250 1.00 0.00 N HETATM 140 C5 NCX A 5 0.287 0.988 14.444 1.00 0.00 C HETATM 141 C4 NCX A 5 0.048 2.329 14.407 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.231 2.833 14.180 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.294 1.929 14.153 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.071 0.549 14.321 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.219 -0.395 14.463 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.958 -1.587 14.476 1.00 0.00 O HETATM 147 O12 NCX A 5 -4.341 0.077 14.533 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.752 0.072 14.400 1.00 0.00 C HETATM 149 C3' NCX A 5 2.372 6.427 15.527 1.00 0.00 C HETATM 150 C2' NCX A 5 2.296 4.953 15.901 1.00 0.00 C HETATM 151 O3' NCX A 5 1.293 7.163 16.073 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.493 -2.418 14.274 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.031 -1.527 13.841 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.709 7.621 13.145 1.00 0.00 H new HETATM 0 H2'' NCX A 5 1.995 4.802 16.938 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.188 2.284 15.269 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.550 -0.999 14.426 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.330 6.200 12.192 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.540 7.208 13.707 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.290 6.898 15.878 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.396 3.900 14.028 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.249 4.441 15.768 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.309 2.296 14.000 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.249 4.714 15.311 1.00 0.00 H new ATOM 165 P DA A 6 1.318 7.792 17.557 1.00 0.00 P ATOM 166 OP1 DA A 6 1.599 9.240 17.458 1.00 0.00 O ATOM 167 OP2 DA A 6 2.121 6.924 18.443 1.00 0.00 O ATOM 168 O5' DA A 6 -0.221 7.588 17.955 1.00 0.00 O ATOM 169 C5' DA A 6 -1.259 8.200 17.209 1.00 0.00 C ATOM 170 C4' DA A 6 -2.620 7.574 17.536 1.00 0.00 C ATOM 171 O4' DA A 6 -2.610 6.196 17.176 1.00 0.00 O ATOM 172 C3' DA A 6 -3.006 7.686 19.012 1.00 0.00 C ATOM 173 O3' DA A 6 -4.406 7.912 19.081 1.00 0.00 O ATOM 174 C2' DA A 6 -2.559 6.334 19.552 1.00 0.00 C ATOM 175 C1' DA A 6 -2.692 5.398 18.346 1.00 0.00 C ATOM 176 N9 DA A 6 -1.660 4.327 18.305 1.00 0.00 N ATOM 177 C8 DA A 6 -0.315 4.383 18.602 1.00 0.00 C ATOM 178 N7 DA A 6 0.298 3.231 18.547 1.00 0.00 N ATOM 179 C5 DA A 6 -0.711 2.348 18.156 1.00 0.00 C ATOM 180 C6 DA A 6 -0.765 0.957 17.901 1.00 0.00 C ATOM 181 N6 DA A 6 0.276 0.145 18.010 1.00 0.00 N ATOM 182 N1 DA A 6 -1.908 0.384 17.505 1.00 0.00 N ATOM 183 C2 DA A 6 -2.982 1.161 17.374 1.00 0.00 C ATOM 184 N3 DA A 6 -3.082 2.466 17.596 1.00 0.00 N ATOM 185 C4 DA A 6 -1.899 3.009 17.990 1.00 0.00 C ATOM 0 H5' DA A 6 -1.055 8.096 16.143 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.285 9.268 17.426 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.359 8.133 16.962 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.559 8.500 19.582 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.534 6.369 19.920 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.185 6.008 20.383 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.648 4.881 18.421 1.00 0.00 H new ATOM 0 H8 DA A 6 0.190 5.303 18.859 1.00 0.00 H new ATOM 0 H61 DA A 6 0.170 -0.850 17.811 1.00 0.00 H new ATOM 0 H62 DA A 6 1.184 0.515 18.293 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.885 0.667 17.046 1.00 0.00 H new ATOM 197 P DC A 7 -5.203 8.065 20.477 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.377 8.936 20.252 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.233 8.380 21.547 1.00 0.00 O ATOM 200 O5' DC A 7 -5.724 6.558 20.687 1.00 0.00 O ATOM 201 C5' DC A 7 -6.664 5.987 19.791 1.00 0.00 C ATOM 202 C4' DC A 7 -6.885 4.494 20.055 1.00 0.00 C ATOM 203 O4' DC A 7 -5.680 3.773 19.796 1.00 0.00 O ATOM 204 C3' DC A 7 -7.321 4.168 21.494 1.00 0.00 C ATOM 205 O3' DC A 7 -8.317 3.159 21.434 1.00 0.00 O ATOM 206 C2' DC A 7 -6.006 3.690 22.076 1.00 0.00 C ATOM 207 C1' DC A 7 -5.479 2.890 20.883 1.00 0.00 C ATOM 208 N1 DC A 7 -4.055 2.477 21.012 1.00 0.00 N ATOM 209 C2 DC A 7 -3.706 1.149 20.732 1.00 0.00 C ATOM 210 O2 DC A 7 -4.530 0.332 20.322 1.00 0.00 O ATOM 211 N3 DC A 7 -2.432 0.720 20.927 1.00 0.00 N ATOM 212 C4 DC A 7 -1.536 1.562 21.411 1.00 0.00 C ATOM 213 N4 DC A 7 -0.317 1.105 21.555 1.00 0.00 N ATOM 214 C5 DC A 7 -1.842 2.917 21.725 1.00 0.00 C ATOM 215 C6 DC A 7 -3.107 3.341 21.499 1.00 0.00 C ATOM 0 H5' DC A 7 -6.317 6.125 18.767 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.614 6.514 19.880 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.694 4.198 19.387 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.765 4.973 22.080 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.347 4.513 22.353 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.140 3.075 22.966 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.995 1.936 20.775 1.00 0.00 H new ATOM 0 H41 DC A 7 0.415 1.712 21.924 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.100 0.142 21.298 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.092 3.581 22.129 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.372 4.368 21.704 1.00 0.00 H new ATOM 227 P DG A 8 -9.113 2.623 22.730 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.562 2.816 22.507 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.471 3.133 23.959 1.00 0.00 O ATOM 230 O5' DG A 8 -8.791 1.054 22.620 1.00 0.00 O ATOM 231 C5' DG A 8 -9.241 0.302 21.505 1.00 0.00 C ATOM 232 C4' DG A 8 -9.025 -1.206 21.685 1.00 0.00 C ATOM 233 O4' DG A 8 -7.640 -1.516 21.619 1.00 0.00 O ATOM 234 C3' DG A 8 -9.545 -1.737 23.026 1.00 0.00 C ATOM 235 O3' DG A 8 -10.014 -3.070 22.902 1.00 0.00 O ATOM 236 C2' DG A 8 -8.303 -1.695 23.907 1.00 0.00 C ATOM 237 C1' DG A 8 -7.186 -1.944 22.892 1.00 0.00 C ATOM 238 N9 DG A 8 -5.914 -1.289 23.261 1.00 0.00 N ATOM 239 C8 DG A 8 -5.634 0.035 23.493 1.00 0.00 C ATOM 240 N7 DG A 8 -4.386 0.268 23.807 1.00 0.00 N ATOM 241 C5 DG A 8 -3.797 -1.002 23.801 1.00 0.00 C ATOM 242 C6 DG A 8 -2.453 -1.443 24.072 1.00 0.00 C ATOM 243 O6 DG A 8 -1.445 -0.794 24.345 1.00 0.00 O ATOM 244 N1 DG A 8 -2.313 -2.819 24.016 1.00 0.00 N ATOM 245 C2 DG A 8 -3.320 -3.685 23.718 1.00 0.00 C ATOM 246 N2 DG A 8 -3.033 -4.964 23.688 1.00 0.00 N ATOM 247 N3 DG A 8 -4.571 -3.315 23.454 1.00 0.00 N ATOM 248 C4 DG A 8 -4.742 -1.959 23.504 1.00 0.00 C ATOM 0 H5' DG A 8 -8.716 0.636 20.610 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.301 0.497 21.344 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.586 -1.680 20.880 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.384 -1.161 23.417 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.191 -0.734 24.409 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.327 -2.460 24.683 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.338 -3.385 23.772 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.963 -3.011 22.874 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.378 0.815 23.422 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.392 -3.211 24.211 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.760 -5.645 23.469 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.083 -5.278 23.884 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.897 -8.017 25.802 1.00 0.00 O ATOM 263 C5' DC B 9 3.953 -9.023 26.114 1.00 0.00 C ATOM 264 C4' DC B 9 2.686 -8.852 25.264 1.00 0.00 C ATOM 265 O4' DC B 9 2.231 -7.504 25.361 1.00 0.00 O ATOM 266 C3' DC B 9 2.884 -9.154 23.771 1.00 0.00 C ATOM 267 O3' DC B 9 1.765 -9.923 23.362 1.00 0.00 O ATOM 268 C2' DC B 9 2.897 -7.755 23.160 1.00 0.00 C ATOM 269 C1' DC B 9 1.861 -7.084 24.059 1.00 0.00 C ATOM 270 N1 DC B 9 1.773 -5.594 24.005 1.00 0.00 N ATOM 271 C2 DC B 9 0.512 -5.017 24.204 1.00 0.00 C ATOM 272 O2 DC B 9 -0.498 -5.704 24.348 1.00 0.00 O ATOM 273 N3 DC B 9 0.368 -3.670 24.237 1.00 0.00 N ATOM 274 C4 DC B 9 1.421 -2.902 24.025 1.00 0.00 C ATOM 275 N4 DC B 9 1.209 -1.608 24.062 1.00 0.00 N ATOM 276 C5 DC B 9 2.730 -3.428 23.807 1.00 0.00 C ATOM 277 C6 DC B 9 2.867 -4.780 23.804 1.00 0.00 C ATOM 0 H5' DC B 9 3.697 -8.975 27.173 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.388 -10.006 25.936 1.00 0.00 H new ATOM 0 H4' DC B 9 1.969 -9.571 25.659 1.00 0.00 H new ATOM 0 H3' DC B 9 3.777 -9.714 23.493 1.00 0.00 H new ATOM 0 H2' DC B 9 3.876 -7.280 23.220 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.606 -7.753 22.110 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.428 -7.208 25.509 1.00 0.00 H new ATOM 0 H1' DC B 9 0.866 -7.380 23.727 1.00 0.00 H new ATOM 0 H41 DC B 9 1.981 -0.960 23.906 1.00 0.00 H new ATOM 0 H42 DC B 9 0.272 -1.250 24.247 1.00 0.00 H new ATOM 0 H5 DC B 9 3.578 -2.777 23.651 1.00 0.00 H new ATOM 0 H6 DC B 9 3.840 -5.220 23.643 1.00 0.00 H new ATOM 290 P DG B 10 1.605 -10.525 21.875 1.00 0.00 P ATOM 291 OP1 DG B 10 1.255 -11.955 22.002 1.00 0.00 O ATOM 292 OP2 DG B 10 2.776 -10.113 21.072 1.00 0.00 O ATOM 293 O5' DG B 10 0.310 -9.716 21.358 1.00 0.00 O ATOM 294 C5' DG B 10 -0.979 -10.000 21.885 1.00 0.00 C ATOM 295 C4' DG B 10 -2.120 -9.304 21.127 1.00 0.00 C ATOM 296 O4' DG B 10 -2.140 -7.928 21.480 1.00 0.00 O ATOM 297 C3' DG B 10 -2.018 -9.417 19.601 1.00 0.00 C ATOM 298 O3' DG B 10 -3.316 -9.587 19.042 1.00 0.00 O ATOM 299 C2' DG B 10 -1.418 -8.072 19.244 1.00 0.00 C ATOM 300 C1' DG B 10 -2.046 -7.159 20.297 1.00 0.00 C ATOM 301 N9 DG B 10 -1.221 -5.964 20.554 1.00 0.00 N ATOM 302 C8 DG B 10 0.124 -5.904 20.809 1.00 0.00 C ATOM 303 N7 DG B 10 0.585 -4.695 20.971 1.00 0.00 N ATOM 304 C5 DG B 10 -0.546 -3.885 20.809 1.00 0.00 C ATOM 305 C6 DG B 10 -0.716 -2.459 20.862 1.00 0.00 C ATOM 306 O6 DG B 10 0.112 -1.575 21.067 1.00 0.00 O ATOM 307 N1 DG B 10 -2.024 -2.060 20.652 1.00 0.00 N ATOM 308 C2 DG B 10 -3.057 -2.912 20.406 1.00 0.00 C ATOM 309 N2 DG B 10 -4.239 -2.382 20.207 1.00 0.00 N ATOM 310 N3 DG B 10 -2.934 -4.236 20.327 1.00 0.00 N ATOM 311 C4 DG B 10 -1.655 -4.663 20.549 1.00 0.00 C ATOM 0 H5' DG B 10 -1.010 -9.695 22.931 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.143 -11.077 21.862 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.038 -9.814 21.419 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.434 -10.261 19.233 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.330 -8.080 19.307 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.676 -7.765 18.231 1.00 0.00 H new ATOM 0 H1' DG B 10 -3.017 -6.804 19.951 1.00 0.00 H new ATOM 0 H8 DG B 10 0.749 -6.783 20.871 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.228 -1.061 20.684 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.042 -2.982 20.019 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.356 -1.369 20.240 1.00 0.00 H new ATOM 323 P DT B 11 -3.546 -9.859 17.462 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.580 -10.909 17.332 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.226 -10.038 16.820 1.00 0.00 O ATOM 326 O5' DT B 11 -4.167 -8.462 16.937 1.00 0.00 O ATOM 327 C5' DT B 11 -5.530 -8.141 17.181 1.00 0.00 C ATOM 328 C4' DT B 11 -5.955 -6.806 16.556 1.00 0.00 C ATOM 329 O4' DT B 11 -5.266 -5.777 17.250 1.00 0.00 O ATOM 330 C3' DT B 11 -5.722 -6.702 15.053 1.00 0.00 C ATOM 331 O3' DT B 11 -6.946 -6.316 14.441 1.00 0.00 O ATOM 332 C2' DT B 11 -4.731 -5.563 14.974 1.00 0.00 C ATOM 333 C1' DT B 11 -4.781 -4.843 16.318 1.00 0.00 C ATOM 334 N1 DT B 11 -3.460 -4.320 16.748 1.00 0.00 N ATOM 335 C2 DT B 11 -3.371 -2.962 17.066 1.00 0.00 C ATOM 336 O2 DT B 11 -4.340 -2.210 17.123 1.00 0.00 O ATOM 337 N3 DT B 11 -2.110 -2.472 17.317 1.00 0.00 N ATOM 338 C4 DT B 11 -0.942 -3.206 17.326 1.00 0.00 C ATOM 339 O4 DT B 11 0.108 -2.615 17.558 1.00 0.00 O ATOM 340 C5 DT B 11 -1.111 -4.637 17.058 1.00 0.00 C ATOM 341 C7 DT B 11 0.086 -5.581 17.089 1.00 0.00 C ATOM 342 C6 DT B 11 -2.347 -5.136 16.781 1.00 0.00 C ATOM 0 H5' DT B 11 -5.701 -8.102 18.257 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.161 -8.937 16.786 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.036 -6.715 16.662 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.379 -7.618 14.571 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.727 -5.937 14.773 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.987 -4.883 14.161 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.426 -3.968 16.238 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.032 -1.474 17.515 1.00 0.00 H new ATOM 0 H71 DT B 11 0.985 -5.039 16.796 1.00 0.00 H new ATOM 0 H72 DT B 11 0.213 -5.975 18.097 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.083 -6.405 16.396 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.459 -6.192 16.583 1.00 0.00 H new ATOM 355 P DT B 12 -7.182 -6.370 12.842 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.596 -6.728 12.602 1.00 0.00 O ATOM 357 OP2 DT B 12 -6.097 -7.169 12.232 1.00 0.00 O ATOM 358 O5' DT B 12 -6.972 -4.836 12.409 1.00 0.00 O ATOM 359 C5' DT B 12 -7.829 -3.815 12.896 1.00 0.00 C ATOM 360 C4' DT B 12 -7.471 -2.443 12.310 1.00 0.00 C ATOM 361 O4' DT B 12 -6.122 -2.138 12.644 1.00 0.00 O ATOM 362 C3' DT B 12 -7.614 -2.378 10.779 1.00 0.00 C ATOM 363 O3' DT B 12 -8.162 -1.118 10.399 1.00 0.00 O ATOM 364 C2' DT B 12 -6.161 -2.509 10.350 1.00 0.00 C ATOM 365 C1' DT B 12 -5.475 -1.715 11.461 1.00 0.00 C ATOM 366 N1 DT B 12 -4.006 -1.934 11.525 1.00 0.00 N ATOM 367 C2 DT B 12 -3.186 -0.802 11.452 1.00 0.00 C ATOM 368 O2 DT B 12 -3.598 0.345 11.321 1.00 0.00 O ATOM 369 N3 DT B 12 -1.833 -0.993 11.621 1.00 0.00 N ATOM 370 C4 DT B 12 -1.239 -2.182 11.974 1.00 0.00 C ATOM 371 O4 DT B 12 -0.064 -2.172 12.343 1.00 0.00 O ATOM 372 C5 DT B 12 -2.126 -3.339 11.926 1.00 0.00 C ATOM 373 C7 DT B 12 -1.527 -4.707 12.141 1.00 0.00 C ATOM 374 C6 DT B 12 -3.465 -3.192 11.715 1.00 0.00 C ATOM 0 H5' DT B 12 -7.764 -3.774 13.983 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.862 -4.058 12.647 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.172 -1.725 12.736 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.272 -3.126 10.337 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.830 -3.547 10.316 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.979 -2.084 9.363 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.565 -0.642 11.291 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.223 -0.189 11.473 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.270 -5.362 12.597 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.216 -5.123 11.183 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.662 -4.626 12.799 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.105 -4.061 11.696 1.00 0.00 H new ATOM 387 P DG B 13 -8.807 -0.856 8.937 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.274 -0.746 9.093 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.236 -1.833 7.986 1.00 0.00 O ATOM 390 O5' DG B 13 -8.226 0.592 8.533 1.00 0.00 O ATOM 391 C5' DG B 13 -8.688 1.778 9.160 1.00 0.00 C ATOM 392 C4' DG B 13 -7.738 2.968 8.939 1.00 0.00 C ATOM 393 O4' DG B 13 -6.455 2.599 9.434 1.00 0.00 O ATOM 394 C3' DG B 13 -7.574 3.446 7.487 1.00 0.00 C ATOM 395 O3' DG B 13 -7.403 4.860 7.466 1.00 0.00 O ATOM 396 C2' DG B 13 -6.333 2.698 7.077 1.00 0.00 C ATOM 397 C1' DG B 13 -5.528 2.599 8.363 1.00 0.00 C ATOM 398 N9 DG B 13 -4.692 1.382 8.326 1.00 0.00 N ATOM 399 C8 DG B 13 -5.028 0.086 8.020 1.00 0.00 C ATOM 400 N7 DG B 13 -4.021 -0.746 8.024 1.00 0.00 N ATOM 401 C5 DG B 13 -2.928 0.065 8.342 1.00 0.00 C ATOM 402 C6 DG B 13 -1.544 -0.239 8.574 1.00 0.00 C ATOM 403 O6 DG B 13 -0.959 -1.321 8.584 1.00 0.00 O ATOM 404 N1 DG B 13 -0.794 0.873 8.898 1.00 0.00 N ATOM 405 C2 DG B 13 -1.290 2.141 8.975 1.00 0.00 C ATOM 406 N2 DG B 13 -0.465 3.120 9.244 1.00 0.00 N ATOM 407 N3 DG B 13 -2.559 2.462 8.766 1.00 0.00 N ATOM 408 C4 DG B 13 -3.333 1.376 8.482 1.00 0.00 C ATOM 0 H5' DG B 13 -8.800 1.600 10.230 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.676 2.029 8.773 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.192 3.807 9.466 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.419 3.259 6.824 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.573 1.712 6.679 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.783 3.230 6.301 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.844 3.439 8.490 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.039 -0.219 7.795 1.00 0.00 H new ATOM 0 H1 DG B 13 0.198 0.738 9.093 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.812 4.077 9.307 1.00 0.00 H new ATOM 0 H22 DG B 13 0.526 2.926 9.391 1.00 0.00 H new ATOM 420 P DT B 14 -7.172 5.706 6.102 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.954 6.957 6.203 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.363 4.806 4.944 1.00 0.00 O ATOM 423 O5' DT B 14 -5.603 6.086 6.181 1.00 0.00 O ATOM 424 C5' DT B 14 -5.127 6.978 7.180 1.00 0.00 C ATOM 425 C4' DT B 14 -3.629 7.304 7.059 1.00 0.00 C ATOM 426 O4' DT B 14 -2.864 6.117 7.227 1.00 0.00 O ATOM 427 C3' DT B 14 -3.222 7.952 5.730 1.00 0.00 C ATOM 428 O3' DT B 14 -2.263 8.970 5.986 1.00 0.00 O ATOM 429 C2' DT B 14 -2.639 6.775 4.967 1.00 0.00 C ATOM 430 C1' DT B 14 -2.033 5.934 6.094 1.00 0.00 C ATOM 431 N1 DT B 14 -1.949 4.483 5.781 1.00 0.00 N ATOM 432 C2 DT B 14 -0.732 3.830 6.005 1.00 0.00 C ATOM 433 O2 DT B 14 0.287 4.396 6.388 1.00 0.00 O ATOM 434 N3 DT B 14 -0.705 2.473 5.769 1.00 0.00 N ATOM 435 C4 DT B 14 -1.761 1.717 5.305 1.00 0.00 C ATOM 436 O4 DT B 14 -1.590 0.513 5.142 1.00 0.00 O ATOM 437 C5 DT B 14 -2.995 2.460 5.061 1.00 0.00 C ATOM 438 C7 DT B 14 -4.230 1.744 4.533 1.00 0.00 C ATOM 439 C6 DT B 14 -3.050 3.795 5.312 1.00 0.00 C ATOM 0 H5' DT B 14 -5.317 6.544 8.162 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.697 7.906 7.127 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.429 8.034 7.843 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.026 8.440 5.178 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.403 6.228 4.415 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.887 7.090 4.243 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.007 6.264 6.257 1.00 0.00 H new ATOM 0 H3 DT B 14 0.172 1.985 5.953 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.925 0.898 3.917 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.829 1.386 5.370 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.822 2.435 3.933 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.974 4.328 5.141 1.00 0.00 H new ATOM 452 P DA B 15 -1.634 9.887 4.812 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.269 11.196 5.395 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.531 9.823 3.637 1.00 0.00 O ATOM 455 O5' DA B 15 -0.276 9.092 4.456 1.00 0.00 O ATOM 456 C5' DA B 15 0.818 9.088 5.359 1.00 0.00 C ATOM 457 C4' DA B 15 2.024 8.302 4.824 1.00 0.00 C ATOM 458 O4' DA B 15 1.732 6.910 4.812 1.00 0.00 O ATOM 459 C3' DA B 15 2.442 8.715 3.405 1.00 0.00 C ATOM 460 O3' DA B 15 3.835 8.988 3.389 1.00 0.00 O ATOM 461 C2' DA B 15 2.083 7.476 2.600 1.00 0.00 C ATOM 462 C1' DA B 15 2.253 6.353 3.621 1.00 0.00 C ATOM 463 N9 DA B 15 1.508 5.119 3.271 1.00 0.00 N ATOM 464 C8 DA B 15 0.203 5.000 2.859 1.00 0.00 C ATOM 465 N7 DA B 15 -0.192 3.773 2.648 1.00 0.00 N ATOM 466 C5 DA B 15 0.951 3.020 2.943 1.00 0.00 C ATOM 467 C6 DA B 15 1.247 1.638 2.941 1.00 0.00 C ATOM 468 N6 DA B 15 0.359 0.698 2.667 1.00 0.00 N ATOM 469 N1 DA B 15 2.477 1.201 3.238 1.00 0.00 N ATOM 470 C2 DA B 15 3.397 2.105 3.556 1.00 0.00 C ATOM 471 N3 DA B 15 3.263 3.428 3.613 1.00 0.00 N ATOM 472 C4 DA B 15 1.998 3.829 3.302 1.00 0.00 C ATOM 0 H5' DA B 15 0.499 8.656 6.308 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.120 10.115 5.562 1.00 0.00 H new ATOM 0 H4' DA B 15 2.851 8.530 5.496 1.00 0.00 H new ATOM 0 H3' DA B 15 1.964 9.615 3.018 1.00 0.00 H new ATOM 0 H2' DA B 15 1.064 7.524 2.216 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.742 7.346 1.741 1.00 0.00 H new ATOM 0 H1' DA B 15 3.294 6.038 3.687 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.445 5.853 2.721 1.00 0.00 H new ATOM 0 H61 DA B 15 0.635 -0.284 2.682 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.602 0.955 2.441 1.00 0.00 H new ATOM 0 H2 DA B 15 4.376 1.718 3.799 1.00 0.00 H new ATOM 484 P DC B 16 4.579 9.592 2.088 1.00 0.00 P ATOM 485 OP1 DC B 16 5.696 10.454 2.528 1.00 0.00 O ATOM 486 OP2 DC B 16 3.565 10.109 1.144 1.00 0.00 O ATOM 487 O5' DC B 16 5.203 8.257 1.451 1.00 0.00 O ATOM 488 C5' DC B 16 6.335 7.639 2.036 1.00 0.00 C ATOM 489 C4' DC B 16 6.703 6.353 1.295 1.00 0.00 C ATOM 490 O4' DC B 16 5.822 5.303 1.638 1.00 0.00 O ATOM 491 C3' DC B 16 6.638 6.466 -0.230 1.00 0.00 C ATOM 492 O3' DC B 16 7.817 7.022 -0.780 1.00 0.00 O ATOM 493 C2' DC B 16 6.478 5.005 -0.629 1.00 0.00 C ATOM 494 C1' DC B 16 5.859 4.336 0.606 1.00 0.00 C ATOM 495 N1 DC B 16 4.479 3.857 0.343 1.00 0.00 N ATOM 496 C2 DC B 16 4.243 2.481 0.279 1.00 0.00 C ATOM 497 O2 DC B 16 5.142 1.663 0.472 1.00 0.00 O ATOM 498 N3 DC B 16 3.006 2.017 -0.019 1.00 0.00 N ATOM 499 C4 DC B 16 2.026 2.877 -0.232 1.00 0.00 C ATOM 500 N4 DC B 16 0.847 2.353 -0.453 1.00 0.00 N ATOM 501 C5 DC B 16 2.214 4.292 -0.195 1.00 0.00 C ATOM 502 C6 DC B 16 3.462 4.745 0.096 1.00 0.00 C ATOM 0 H5' DC B 16 6.130 7.414 3.083 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.180 8.328 2.018 1.00 0.00 H new ATOM 0 H4' DC B 16 7.731 6.158 1.600 1.00 0.00 H new ATOM 0 H3' DC B 16 5.845 7.124 -0.585 1.00 0.00 H new ATOM 0 H2' DC B 16 5.834 4.900 -1.502 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.438 4.556 -0.885 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.731 7.073 -1.755 1.00 0.00 H new ATOM 0 H1' DC B 16 6.460 3.469 0.881 1.00 0.00 H new ATOM 0 H41 DC B 16 0.044 2.958 -0.625 1.00 0.00 H new ATOM 0 H42 DC B 16 0.731 1.340 -0.453 1.00 0.00 H new ATOM 0 H5 DC B 16 1.399 4.973 -0.390 1.00 0.00 H new ATOM 0 H6 DC B 16 3.654 5.807 0.133 1.00 0.00 H new TER 515 DC B 16