USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 212 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 Set 1.1: C 15 DT C7 :methyl -30:sc= -0.596 (180deg=-0.713) USER MOD Set 1.2: C 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 2.1: B 9 DT C7 :methyl 150:sc= -0.579 (180deg=-0.579) USER MOD Set 2.2: B 10 DT C7 :methyl 150:sc= -0.719 (180deg=-0.719) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot -34:sc= 0.00374 USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD Single : C 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 13 DT O5' : rot -27:sc= 0.00182 USER MOD Single : C 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -2.267 -9.288 -11.096 1.00 0.00 O ATOM 2 C5' DA A 1 -2.161 -9.484 -9.703 1.00 0.00 C ATOM 3 C4' DA A 1 -0.938 -8.740 -9.161 1.00 0.00 C ATOM 4 O4' DA A 1 -1.089 -7.342 -9.313 1.00 0.00 O ATOM 5 C3' DA A 1 -0.716 -8.993 -7.663 1.00 0.00 C ATOM 6 O3' DA A 1 0.398 -9.852 -7.482 1.00 0.00 O ATOM 7 C2' DA A 1 -0.518 -7.585 -7.092 1.00 0.00 C ATOM 8 C1' DA A 1 -0.283 -6.730 -8.331 1.00 0.00 C ATOM 9 N9 DA A 1 -0.697 -5.316 -8.164 1.00 0.00 N ATOM 10 C8 DA A 1 -1.942 -4.820 -7.858 1.00 0.00 C ATOM 11 N7 DA A 1 -2.001 -3.520 -7.782 1.00 0.00 N ATOM 12 C5 DA A 1 -0.702 -3.115 -8.057 1.00 0.00 C ATOM 13 C6 DA A 1 -0.090 -1.845 -8.146 1.00 0.00 C ATOM 14 N6 DA A 1 -0.742 -0.690 -7.967 1.00 0.00 N ATOM 15 N1 DA A 1 1.223 -1.792 -8.435 1.00 0.00 N ATOM 16 C2 DA A 1 1.895 -2.921 -8.626 1.00 0.00 C ATOM 17 N3 DA A 1 1.440 -4.173 -8.576 1.00 0.00 N ATOM 18 C4 DA A 1 0.107 -4.204 -8.285 1.00 0.00 C ATOM 0 H5' DA A 1 -2.077 -10.548 -9.483 1.00 0.00 H new ATOM 0 H5'' DA A 1 -3.064 -9.126 -9.207 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.090 -9.116 -9.734 1.00 0.00 H new ATOM 0 H3' DA A 1 -1.536 -9.502 -7.157 1.00 0.00 H new ATOM 0 H2' DA A 1 -1.393 -7.251 -6.534 1.00 0.00 H new ATOM 0 H2'' DA A 1 0.331 -7.544 -6.409 1.00 0.00 H new ATOM 0 HO5' DA A 1 -3.051 -9.768 -11.435 1.00 0.00 H new ATOM 0 H1' DA A 1 0.779 -6.686 -8.573 1.00 0.00 H new ATOM 0 H8 DA A 1 -2.800 -5.455 -7.694 1.00 0.00 H new ATOM 0 H61 DA A 1 -0.242 0.195 -8.045 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.739 -0.695 -7.753 1.00 0.00 H new ATOM 0 H2 DA A 1 2.946 -2.811 -8.851 1.00 0.00 H new ATOM 31 P DG A 2 0.908 -10.321 -6.019 1.00 0.00 P ATOM 32 OP1 DG A 2 1.577 -11.634 -6.162 1.00 0.00 O ATOM 33 OP2 DG A 2 -0.204 -10.164 -5.054 1.00 0.00 O ATOM 34 O5' DG A 2 2.032 -9.217 -5.674 1.00 0.00 O ATOM 35 C5' DG A 2 3.245 -9.148 -6.399 1.00 0.00 C ATOM 36 C4' DG A 2 4.055 -7.935 -5.938 1.00 0.00 C ATOM 37 O4' DG A 2 3.343 -6.747 -6.240 1.00 0.00 O ATOM 38 C3' DG A 2 4.323 -7.950 -4.424 1.00 0.00 C ATOM 39 O3' DG A 2 5.720 -7.845 -4.202 1.00 0.00 O ATOM 40 C2' DG A 2 3.543 -6.724 -3.932 1.00 0.00 C ATOM 41 C1' DG A 2 3.530 -5.849 -5.169 1.00 0.00 C ATOM 42 N9 DG A 2 2.430 -4.867 -5.104 1.00 0.00 N ATOM 43 C8 DG A 2 1.099 -5.104 -4.889 1.00 0.00 C ATOM 44 N7 DG A 2 0.354 -4.035 -4.881 1.00 0.00 N ATOM 45 C5 DG A 2 1.261 -3.007 -5.107 1.00 0.00 C ATOM 46 C6 DG A 2 1.045 -1.600 -5.197 1.00 0.00 C ATOM 47 O6 DG A 2 -0.016 -0.995 -5.088 1.00 0.00 O ATOM 48 N1 DG A 2 2.226 -0.896 -5.434 1.00 0.00 N ATOM 49 C2 DG A 2 3.474 -1.483 -5.569 1.00 0.00 C ATOM 50 N2 DG A 2 4.514 -0.669 -5.788 1.00 0.00 N ATOM 51 N3 DG A 2 3.677 -2.807 -5.480 1.00 0.00 N ATOM 52 C4 DG A 2 2.534 -3.508 -5.249 1.00 0.00 C ATOM 0 H5' DG A 2 3.038 -9.074 -7.467 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.822 -10.061 -6.249 1.00 0.00 H new ATOM 0 H4' DG A 2 5.010 -7.974 -6.462 1.00 0.00 H new ATOM 0 H3' DG A 2 4.013 -8.856 -3.903 1.00 0.00 H new ATOM 0 H2' DG A 2 2.536 -6.984 -3.604 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.036 -6.236 -3.091 1.00 0.00 H new ATOM 0 H1' DG A 2 4.447 -5.270 -5.275 1.00 0.00 H new ATOM 0 H8 DG A 2 0.699 -6.096 -4.738 1.00 0.00 H new ATOM 0 H1 DG A 2 2.167 0.119 -5.513 1.00 0.00 H new ATOM 0 H21 DG A 2 5.452 -1.057 -5.894 1.00 0.00 H new ATOM 0 H22 DG A 2 4.369 0.339 -5.849 1.00 0.00 H new ATOM 64 P DA A 3 6.367 -7.830 -2.719 1.00 0.00 P ATOM 65 OP1 DA A 3 7.761 -8.318 -2.816 1.00 0.00 O ATOM 66 OP2 DA A 3 5.424 -8.476 -1.778 1.00 0.00 O ATOM 67 O5' DA A 3 6.405 -6.254 -2.393 1.00 0.00 O ATOM 68 C5' DA A 3 7.232 -5.381 -3.134 1.00 0.00 C ATOM 69 C4' DA A 3 6.915 -3.928 -2.786 1.00 0.00 C ATOM 70 O4' DA A 3 5.583 -3.582 -3.099 1.00 0.00 O ATOM 71 C3' DA A 3 7.128 -3.564 -1.311 1.00 0.00 C ATOM 72 O3' DA A 3 8.382 -2.917 -1.179 1.00 0.00 O ATOM 73 C2' DA A 3 5.901 -2.700 -0.991 1.00 0.00 C ATOM 74 C1' DA A 3 5.323 -2.407 -2.364 1.00 0.00 C ATOM 75 N9 DA A 3 3.874 -2.179 -2.226 1.00 0.00 N ATOM 76 C8 DA A 3 2.892 -3.095 -1.947 1.00 0.00 C ATOM 77 N7 DA A 3 1.698 -2.580 -1.888 1.00 0.00 N ATOM 78 C5 DA A 3 1.898 -1.229 -2.139 1.00 0.00 C ATOM 79 C6 DA A 3 1.028 -0.121 -2.217 1.00 0.00 C ATOM 80 N6 DA A 3 -0.295 -0.203 -2.048 1.00 0.00 N ATOM 81 N1 DA A 3 1.563 1.085 -2.478 1.00 0.00 N ATOM 82 C2 DA A 3 2.875 1.196 -2.651 1.00 0.00 C ATOM 83 N3 DA A 3 3.797 0.238 -2.606 1.00 0.00 N ATOM 84 C4 DA A 3 3.232 -0.973 -2.343 1.00 0.00 C ATOM 0 H5' DA A 3 7.084 -5.547 -4.201 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.280 -5.593 -2.921 1.00 0.00 H new ATOM 0 H4' DA A 3 7.626 -3.370 -3.395 1.00 0.00 H new ATOM 0 H3' DA A 3 7.185 -4.396 -0.609 1.00 0.00 H new ATOM 0 H2' DA A 3 5.189 -3.229 -0.358 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.177 -1.786 -0.466 1.00 0.00 H new ATOM 0 H1' DA A 3 5.746 -1.526 -2.846 1.00 0.00 H new ATOM 0 H8 DA A 3 3.091 -4.145 -1.791 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.871 0.636 -2.117 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.729 -1.105 -1.850 1.00 0.00 H new ATOM 0 H2 DA A 3 3.240 2.192 -2.854 1.00 0.00 H new ATOM 96 P DA A 4 8.958 -2.414 0.242 1.00 0.00 P ATOM 97 OP1 DA A 4 10.402 -2.130 0.084 1.00 0.00 O ATOM 98 OP2 DA A 4 8.500 -3.343 1.300 1.00 0.00 O ATOM 99 O5' DA A 4 8.186 -1.018 0.425 1.00 0.00 O ATOM 100 C5' DA A 4 8.345 0.043 -0.498 1.00 0.00 C ATOM 101 C4' DA A 4 7.351 1.161 -0.180 1.00 0.00 C ATOM 102 O4' DA A 4 6.010 0.807 -0.477 1.00 0.00 O ATOM 103 C3' DA A 4 7.399 1.589 1.294 1.00 0.00 C ATOM 104 O3' DA A 4 7.983 2.873 1.432 1.00 0.00 O ATOM 105 C2' DA A 4 5.923 1.548 1.670 1.00 0.00 C ATOM 106 C1' DA A 4 5.203 1.624 0.344 1.00 0.00 C ATOM 107 N9 DA A 4 3.849 1.082 0.555 1.00 0.00 N ATOM 108 C8 DA A 4 3.489 -0.209 0.823 1.00 0.00 C ATOM 109 N7 DA A 4 2.205 -0.383 0.964 1.00 0.00 N ATOM 110 C5 DA A 4 1.673 0.886 0.783 1.00 0.00 C ATOM 111 C6 DA A 4 0.355 1.392 0.805 1.00 0.00 C ATOM 112 N6 DA A 4 -0.715 0.615 1.026 1.00 0.00 N ATOM 113 N1 DA A 4 0.180 2.715 0.587 1.00 0.00 N ATOM 114 C2 DA A 4 1.251 3.479 0.365 1.00 0.00 C ATOM 115 N3 DA A 4 2.530 3.123 0.319 1.00 0.00 N ATOM 116 C4 DA A 4 2.675 1.791 0.537 1.00 0.00 C ATOM 0 H5' DA A 4 8.186 -0.320 -1.514 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.364 0.427 -0.453 1.00 0.00 H new ATOM 0 H4' DA A 4 7.662 1.987 -0.819 1.00 0.00 H new ATOM 0 H3' DA A 4 8.014 0.961 1.938 1.00 0.00 H new ATOM 0 H2' DA A 4 5.674 0.633 2.207 1.00 0.00 H new ATOM 0 H2'' DA A 4 5.653 2.382 2.318 1.00 0.00 H new ATOM 0 H1' DA A 4 5.074 2.614 -0.092 1.00 0.00 H new ATOM 0 H8 DA A 4 4.205 -1.013 0.910 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.649 1.024 1.033 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.595 -0.385 1.187 1.00 0.00 H new ATOM 0 H2 DA A 4 1.051 4.528 0.201 1.00 0.00 H new ATOM 128 P DG A 5 8.306 3.521 2.883 1.00 0.00 P ATOM 129 OP1 DG A 5 9.458 4.437 2.728 1.00 0.00 O ATOM 130 OP2 DG A 5 8.364 2.435 3.887 1.00 0.00 O ATOM 131 O5' DG A 5 6.997 4.410 3.193 1.00 0.00 O ATOM 132 C5' DG A 5 6.729 5.596 2.472 1.00 0.00 C ATOM 133 C4' DG A 5 5.396 6.190 2.927 1.00 0.00 C ATOM 134 O4' DG A 5 4.353 5.262 2.695 1.00 0.00 O ATOM 135 C3' DG A 5 5.363 6.558 4.421 1.00 0.00 C ATOM 136 O3' DG A 5 5.107 7.950 4.531 1.00 0.00 O ATOM 137 C2' DG A 5 4.229 5.686 4.959 1.00 0.00 C ATOM 138 C1' DG A 5 3.394 5.466 3.707 1.00 0.00 C ATOM 139 N9 DG A 5 2.528 4.276 3.830 1.00 0.00 N ATOM 140 C8 DG A 5 2.886 2.980 4.095 1.00 0.00 C ATOM 141 N7 DG A 5 1.885 2.152 4.139 1.00 0.00 N ATOM 142 C5 DG A 5 0.776 2.946 3.896 1.00 0.00 C ATOM 143 C6 DG A 5 -0.605 2.592 3.821 1.00 0.00 C ATOM 144 O6 DG A 5 -1.107 1.476 3.949 1.00 0.00 O ATOM 145 N1 DG A 5 -1.411 3.703 3.564 1.00 0.00 N ATOM 146 C2 DG A 5 -0.941 4.998 3.402 1.00 0.00 C ATOM 147 N2 DG A 5 -1.843 5.960 3.182 1.00 0.00 N ATOM 148 N3 DG A 5 0.359 5.322 3.471 1.00 0.00 N ATOM 149 C4 DG A 5 1.161 4.254 3.713 1.00 0.00 C ATOM 0 H5' DG A 5 6.697 5.383 1.403 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.531 6.317 2.629 1.00 0.00 H new ATOM 0 H4' DG A 5 5.267 7.105 2.349 1.00 0.00 H new ATOM 0 H3' DG A 5 6.285 6.383 4.975 1.00 0.00 H new ATOM 0 H2' DG A 5 4.596 4.749 5.377 1.00 0.00 H new ATOM 0 H2'' DG A 5 3.665 6.187 5.746 1.00 0.00 H new ATOM 0 H1' DG A 5 2.725 6.304 3.511 1.00 0.00 H new ATOM 0 H8 DG A 5 3.909 2.674 4.253 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.417 3.551 3.490 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.539 6.926 3.058 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.835 5.728 3.139 1.00 0.00 H new ATOM 161 P DA A 6 4.947 8.704 5.952 1.00 0.00 P ATOM 162 OP1 DA A 6 5.328 10.122 5.768 1.00 0.00 O ATOM 163 OP2 DA A 6 5.613 7.894 6.997 1.00 0.00 O ATOM 164 O5' DA A 6 3.354 8.636 6.201 1.00 0.00 O ATOM 165 C5' DA A 6 2.449 9.358 5.387 1.00 0.00 C ATOM 166 C4' DA A 6 1.010 9.074 5.823 1.00 0.00 C ATOM 167 O4' DA A 6 0.698 7.708 5.593 1.00 0.00 O ATOM 168 C3' DA A 6 0.790 9.350 7.320 1.00 0.00 C ATOM 169 O3' DA A 6 -0.375 10.128 7.507 1.00 0.00 O ATOM 170 C2' DA A 6 0.576 7.954 7.892 1.00 0.00 C ATOM 171 C1' DA A 6 -0.064 7.266 6.695 1.00 0.00 C ATOM 172 N9 DA A 6 -0.044 5.802 6.833 1.00 0.00 N ATOM 173 C8 DA A 6 0.978 4.917 7.067 1.00 0.00 C ATOM 174 N7 DA A 6 0.587 3.671 7.124 1.00 0.00 N ATOM 175 C5 DA A 6 -0.787 3.738 6.918 1.00 0.00 C ATOM 176 C6 DA A 6 -1.825 2.781 6.857 1.00 0.00 C ATOM 177 N6 DA A 6 -1.610 1.469 7.006 1.00 0.00 N ATOM 178 N1 DA A 6 -3.086 3.220 6.634 1.00 0.00 N ATOM 179 C2 DA A 6 -3.292 4.530 6.484 1.00 0.00 C ATOM 180 N3 DA A 6 -2.414 5.511 6.520 1.00 0.00 N ATOM 181 C4 DA A 6 -1.166 5.039 6.742 1.00 0.00 C ATOM 0 H5' DA A 6 2.583 9.077 4.342 1.00 0.00 H new ATOM 0 H5'' DA A 6 2.655 10.426 5.459 1.00 0.00 H new ATOM 0 H4' DA A 6 0.370 9.736 5.240 1.00 0.00 H new ATOM 0 H3' DA A 6 1.611 9.895 7.785 1.00 0.00 H new ATOM 0 H2' DA A 6 1.510 7.480 8.193 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.075 7.958 8.766 1.00 0.00 H new ATOM 0 HO3' DA A 6 -0.506 10.296 8.464 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.120 7.515 6.587 1.00 0.00 H new ATOM 0 H8 DA A 6 2.007 5.221 7.192 1.00 0.00 H new ATOM 0 H61 DA A 6 -2.391 0.815 6.954 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.665 1.123 7.171 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.316 4.825 6.310 1.00 0.00 H new TER 194 DA A 6 ATOM 195 O5' DT B 7 -10.875 -1.734 7.690 1.00 0.00 O ATOM 196 C5' DT B 7 -10.994 -1.354 6.337 1.00 0.00 C ATOM 197 C4' DT B 7 -10.921 0.173 6.214 1.00 0.00 C ATOM 198 O4' DT B 7 -9.668 0.642 6.689 1.00 0.00 O ATOM 199 C3' DT B 7 -11.040 0.617 4.753 1.00 0.00 C ATOM 200 O3' DT B 7 -11.713 1.866 4.727 1.00 0.00 O ATOM 201 C2' DT B 7 -9.577 0.686 4.338 1.00 0.00 C ATOM 202 C1' DT B 7 -8.917 1.184 5.614 1.00 0.00 C ATOM 203 N1 DT B 7 -7.495 0.756 5.726 1.00 0.00 N ATOM 204 C2 DT B 7 -6.504 1.714 5.949 1.00 0.00 C ATOM 205 O2 DT B 7 -6.738 2.917 6.046 1.00 0.00 O ATOM 206 N3 DT B 7 -5.200 1.234 6.048 1.00 0.00 N ATOM 207 C4 DT B 7 -4.809 -0.098 5.946 1.00 0.00 C ATOM 208 O4 DT B 7 -3.627 -0.414 6.059 1.00 0.00 O ATOM 209 C5 DT B 7 -5.899 -1.024 5.713 1.00 0.00 C ATOM 210 C7 DT B 7 -5.601 -2.505 5.583 1.00 0.00 C ATOM 211 C6 DT B 7 -7.174 -0.576 5.615 1.00 0.00 C ATOM 0 H5' DT B 7 -11.939 -1.715 5.931 1.00 0.00 H new ATOM 0 H5'' DT B 7 -10.198 -1.813 5.750 1.00 0.00 H new ATOM 0 H4' DT B 7 -11.744 0.581 6.800 1.00 0.00 H new ATOM 0 H3' DT B 7 -11.611 -0.026 4.083 1.00 0.00 H new ATOM 0 H2' DT B 7 -9.192 -0.287 4.031 1.00 0.00 H new ATOM 0 H2'' DT B 7 -9.420 1.369 3.503 1.00 0.00 H new ATOM 0 HO5' DT B 7 -10.272 -1.114 8.152 1.00 0.00 H new ATOM 0 H1' DT B 7 -8.908 2.274 5.621 1.00 0.00 H new ATOM 0 H3 DT B 7 -4.464 1.922 6.210 1.00 0.00 H new ATOM 0 H71 DT B 7 -6.456 -3.081 5.938 1.00 0.00 H new ATOM 0 H72 DT B 7 -5.409 -2.747 4.538 1.00 0.00 H new ATOM 0 H73 DT B 7 -4.724 -2.753 6.180 1.00 0.00 H new ATOM 0 H6 DT B 7 -7.966 -1.290 5.444 1.00 0.00 H new ATOM 225 P DC B 8 -12.179 2.570 3.351 1.00 0.00 P ATOM 226 OP1 DC B 8 -13.318 3.466 3.652 1.00 0.00 O ATOM 227 OP2 DC B 8 -12.320 1.530 2.306 1.00 0.00 O ATOM 228 O5' DC B 8 -10.901 3.474 2.986 1.00 0.00 O ATOM 229 C5' DC B 8 -10.702 4.749 3.563 1.00 0.00 C ATOM 230 C4' DC B 8 -9.361 5.318 3.096 1.00 0.00 C ATOM 231 O4' DC B 8 -8.287 4.575 3.619 1.00 0.00 O ATOM 232 C3' DC B 8 -9.179 5.278 1.577 1.00 0.00 C ATOM 233 O3' DC B 8 -9.772 6.439 1.020 1.00 0.00 O ATOM 234 C2' DC B 8 -7.656 5.148 1.420 1.00 0.00 C ATOM 235 C1' DC B 8 -7.150 4.882 2.837 1.00 0.00 C ATOM 236 N1 DC B 8 -6.255 3.702 2.867 1.00 0.00 N ATOM 237 C2 DC B 8 -4.952 3.827 3.341 1.00 0.00 C ATOM 238 O2 DC B 8 -4.512 4.920 3.683 1.00 0.00 O ATOM 239 N3 DC B 8 -4.167 2.711 3.361 1.00 0.00 N ATOM 240 C4 DC B 8 -4.626 1.521 2.941 1.00 0.00 C ATOM 241 N4 DC B 8 -3.801 0.466 2.988 1.00 0.00 N ATOM 242 C5 DC B 8 -5.971 1.381 2.445 1.00 0.00 C ATOM 243 C6 DC B 8 -6.737 2.498 2.431 1.00 0.00 C ATOM 0 H5' DC B 8 -10.718 4.674 4.650 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.513 5.419 3.277 1.00 0.00 H new ATOM 0 H4' DC B 8 -9.367 6.350 3.447 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.666 4.462 1.043 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.394 4.333 0.745 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.220 6.057 1.006 1.00 0.00 H new ATOM 0 H1' DC B 8 -6.601 5.750 3.203 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.125 -0.449 2.675 1.00 0.00 H new ATOM 0 H42 DC B 8 -2.849 0.578 3.337 1.00 0.00 H new ATOM 0 H5 DC B 8 -6.351 0.430 2.101 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.752 2.437 2.067 1.00 0.00 H new ATOM 255 P DT B 9 -9.565 6.865 -0.519 1.00 0.00 P ATOM 256 OP1 DT B 9 -10.666 7.771 -0.914 1.00 0.00 O ATOM 257 OP2 DT B 9 -9.276 5.651 -1.315 1.00 0.00 O ATOM 258 O5' DT B 9 -8.220 7.735 -0.368 1.00 0.00 O ATOM 259 C5' DT B 9 -7.349 7.960 -1.449 1.00 0.00 C ATOM 260 C4' DT B 9 -6.052 8.557 -0.897 1.00 0.00 C ATOM 261 O4' DT B 9 -5.420 7.631 -0.014 1.00 0.00 O ATOM 262 C3' DT B 9 -5.094 8.826 -2.056 1.00 0.00 C ATOM 263 O3' DT B 9 -4.352 10.004 -1.780 1.00 0.00 O ATOM 264 C2' DT B 9 -4.253 7.564 -2.023 1.00 0.00 C ATOM 265 C1' DT B 9 -4.164 7.238 -0.545 1.00 0.00 C ATOM 266 N1 DT B 9 -3.898 5.780 -0.403 1.00 0.00 N ATOM 267 C2 DT B 9 -2.648 5.340 0.040 1.00 0.00 C ATOM 268 O2 DT B 9 -1.716 6.104 0.283 1.00 0.00 O ATOM 269 N3 DT B 9 -2.483 3.960 0.139 1.00 0.00 N ATOM 270 C4 DT B 9 -3.444 2.999 -0.168 1.00 0.00 C ATOM 271 O4 DT B 9 -3.197 1.805 -0.021 1.00 0.00 O ATOM 272 C5 DT B 9 -4.709 3.545 -0.627 1.00 0.00 C ATOM 273 C7 DT B 9 -5.841 2.611 -1.010 1.00 0.00 C ATOM 274 C6 DT B 9 -4.886 4.885 -0.724 1.00 0.00 C ATOM 0 H5' DT B 9 -7.804 8.639 -2.170 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.145 7.027 -1.975 1.00 0.00 H new ATOM 0 H4' DT B 9 -6.290 9.477 -0.363 1.00 0.00 H new ATOM 0 H3' DT B 9 -5.545 9.004 -3.032 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.720 6.755 -2.585 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.267 7.727 -2.458 1.00 0.00 H new ATOM 0 H1' DT B 9 -3.361 7.750 -0.015 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.577 3.623 0.466 1.00 0.00 H new ATOM 0 H71 DT B 9 -6.796 3.097 -0.813 1.00 0.00 H new ATOM 0 H72 DT B 9 -5.769 2.368 -2.070 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.772 1.695 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3.772 5.181 -7.825 1.00 0.00 H new ATOM 0 H2'' DC B 11 5.463 4.783 -7.595 1.00 0.00 H new ATOM 0 H1' DC B 11 5.136 4.380 -5.301 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.187 2.321 -5.951 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.217 0.896 -5.564 1.00 0.00 H new ATOM 0 H5 DC B 11 -0.202 4.530 -6.271 1.00 0.00 H new ATOM 0 H6 DC B 11 1.878 5.804 -6.256 1.00 0.00 H new ATOM 349 P DT B 12 6.551 6.888 -9.394 1.00 0.00 P ATOM 350 OP1 DT B 12 7.840 7.546 -9.706 1.00 0.00 O ATOM 351 OP2 DT B 12 5.337 7.272 -10.147 1.00 0.00 O ATOM 352 O5' DT B 12 6.754 5.292 -9.567 1.00 0.00 O ATOM 353 C5' DT B 12 7.841 4.607 -8.970 1.00 0.00 C ATOM 354 C4' DT B 12 7.730 3.096 -9.217 1.00 0.00 C ATOM 355 O4' DT B 12 6.505 2.615 -8.683 1.00 0.00 O ATOM 356 C3' DT B 12 7.757 2.738 -10.709 1.00 0.00 C ATOM 357 O3' DT B 12 8.509 1.558 -10.910 1.00 0.00 O ATOM 358 C2' DT B 12 6.290 2.470 -11.017 1.00 0.00 C ATOM 359 C1' DT B 12 5.822 1.882 -9.682 1.00 0.00 C ATOM 360 N1 DT B 12 4.342 1.955 -9.472 1.00 0.00 N ATOM 361 C2 DT 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0 H73 DT B 12 0.662 4.560 -9.129 1.00 0.00 H new ATOM 0 H6 DT B 12 4.169 4.006 -10.008 1.00 0.00 H new TER 382 DT B 12 ATOM 383 O5' DT C 13 -10.667 -1.244 -9.165 1.00 0.00 O ATOM 384 C5' DT C 13 -10.549 -1.278 -7.759 1.00 0.00 C ATOM 385 C4' DT C 13 -9.810 -2.550 -7.327 1.00 0.00 C ATOM 386 O4' DT C 13 -8.488 -2.535 -7.844 1.00 0.00 O ATOM 387 C3' DT C 13 -9.687 -2.634 -5.802 1.00 0.00 C ATOM 388 O3' DT C 13 -9.773 -3.995 -5.413 1.00 0.00 O ATOM 389 C2' DT C 13 -8.341 -2.001 -5.564 1.00 0.00 C ATOM 390 C1' DT C 13 -7.569 -2.545 -6.765 1.00 0.00 C ATOM 391 N1 DT C 13 -6.407 -1.678 -7.068 1.00 0.00 N ATOM 392 C2 DT C 13 -5.132 -2.238 -7.145 1.00 0.00 C ATOM 393 O2 DT C 13 -4.916 -3.439 -6.996 1.00 0.00 O ATOM 394 N3 DT C 13 -4.094 -1.355 -7.427 1.00 0.00 N ATOM 395 C4 DT C 13 -4.226 0.018 -7.631 1.00 0.00 C ATOM 396 O4 DT C 13 -3.236 0.715 -7.836 1.00 0.00 O ATOM 397 C5 DT C 13 -5.589 0.511 -7.540 1.00 0.00 C ATOM 398 C7 DT C 13 -5.866 1.985 -7.747 1.00 0.00 C ATOM 399 C6 DT C 13 -6.612 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ATOM 0 H2' DC C 14 -5.777 -5.874 -2.069 1.00 0.00 H new ATOM 0 H2'' DC C 14 -4.768 -7.306 -2.105 1.00 0.00 H new ATOM 0 H1' DC C 14 -4.234 -7.057 -4.344 1.00 0.00 H new ATOM 0 H41 DC C 14 -3.493 -0.418 -4.159 1.00 0.00 H new ATOM 0 H42 DC C 14 -1.911 -1.106 -4.541 1.00 0.00 H new ATOM 0 H5 DC C 14 -5.459 -1.793 -3.759 1.00 0.00 H new ATOM 0 H6 DC C 14 -6.318 -4.080 -3.658 1.00 0.00 H new ATOM 443 P DT C 15 -6.302 -9.760 -1.385 1.00 0.00 P ATOM 444 OP1 DT C 15 -6.432 -11.217 -1.614 1.00 0.00 O ATOM 445 OP2 DT C 15 -7.173 -9.098 -0.388 1.00 0.00 O ATOM 446 O5' DT C 15 -4.769 -9.450 -0.992 1.00 0.00 O ATOM 447 C5' DT C 15 -3.687 -10.137 -1.593 1.00 0.00 C ATOM 448 C4' DT C 15 -2.373 -9.399 -1.319 1.00 0.00 C ATOM 449 O4' DT C 15 -2.342 -8.149 -1.992 1.00 0.00 O ATOM 450 C3' DT C 15 -2.127 -9.087 0.163 1.00 0.00 C ATOM 451 O3' DT C 15 -1.421 -10.133 0.821 1.00 0.00 O ATOM 452 C2' DT C 15 -1.249 -7.860 0.026 1.00 0.00 C ATOM 453 C1' DT C 15 -1.301 -7.388 -1.410 1.00 0.00 C ATOM 454 N1 DT C 15 -1.601 -5.930 -1.363 1.00 0.00 N ATOM 455 C2 DT C 15 -0.622 -5.024 -1.756 1.00 0.00 C ATOM 456 O2 DT C 15 0.512 -5.370 -2.075 1.00 0.00 O ATOM 457 N3 DT C 15 -0.968 -3.679 -1.685 1.00 0.00 N ATOM 458 C4 DT C 15 -2.194 -3.169 -1.262 1.00 0.00 C ATOM 459 O4 DT C 15 -2.403 -1.960 -1.251 1.00 0.00 O ATOM 460 C5 DT C 15 -3.151 -4.181 -0.859 1.00 0.00 C ATOM 461 C7 DT C 15 -4.522 -3.764 -0.371 1.00 0.00 C ATOM 462 C6 DT C 15 -2.830 -5.495 -0.924 1.00 0.00 C ATOM 0 H5' DT C 15 -3.850 -10.217 -2.668 1.00 0.00 H new ATOM 0 H5'' DT C 15 -3.630 -11.153 -1.202 1.00 0.00 H new ATOM 0 H4' DT C 15 -1.604 -10.084 -1.675 1.00 0.00 H new ATOM 0 H3' DT C 15 -3.035 -8.960 0.752 1.00 0.00 H new ATOM 0 H2' DT C 15 -1.593 -7.072 0.696 1.00 0.00 H new ATOM 0 H2'' DT C 15 -0.223 -8.095 0.310 1.00 0.00 H new ATOM 0 H1' DT C 15 -0.386 -7.519 -1.987 1.00 0.00 H new ATOM 0 H3 DT C 15 -0.259 -3.003 -1.969 1.00 0.00 H new ATOM 0 H71 DT C 15 -4.456 -2.786 0.106 1.00 0.00 H new ATOM 0 H72 DT C 15 -5.208 -3.710 -1.216 1.00 0.00 H new ATOM 0 H73 DT C 15 -4.890 -4.495 0.349 1.00 0.00 H new ATOM 0 H6 DT C 15 -3.564 -6.227 -0.621 1.00 0.00 H new ATOM 475 P DT C 16 -0.934 -10.039 2.374 1.00 0.00 P ATOM 476 OP1 DT C 16 -0.481 -11.388 2.779 1.00 0.00 O ATOM 477 OP2 DT C 16 -2.015 -9.380 3.141 1.00 0.00 O ATOM 478 O5' DT C 16 0.361 -9.054 2.414 1.00 0.00 O ATOM 479 C5' DT C 16 1.619 -9.411 1.857 1.00 0.00 C ATOM 480 C4' DT C 16 2.612 -8.235 1.937 1.00 0.00 C ATOM 481 O4' DT C 16 2.047 -7.094 1.320 1.00 0.00 O ATOM 482 C3' DT C 16 2.992 -7.844 3.373 1.00 0.00 C ATOM 483 O3' DT C 16 4.334 -8.223 3.655 1.00 0.00 O ATOM 484 C2' DT C 16 2.817 -6.324 3.398 1.00 0.00 C ATOM 485 C1' DT C 16 2.517 -5.920 1.958 1.00 0.00 C ATOM 486 N1 DT C 16 1.432 -4.908 1.903 1.00 0.00 N ATOM 487 C2 DT C 16 1.677 -3.647 1.376 1.00 0.00 C ATOM 488 O2 DT C 16 2.791 -3.291 1.001 1.00 0.00 O ATOM 489 N3 DT C 16 0.590 -2.778 1.350 1.00 0.00 N ATOM 490 C4 DT C 16 -0.707 -3.064 1.789 1.00 0.00 C ATOM 491 O4 DT C 16 -1.584 -2.205 1.719 1.00 0.00 O ATOM 492 C5 DT C 16 -0.870 -4.407 2.336 1.00 0.00 C ATOM 493 C7 DT C 16 -2.218 -4.907 2.855 1.00 0.00 C ATOM 494 C6 DT C 16 0.191 -5.249 2.362 1.00 0.00 C ATOM 0 H5' DT C 16 1.488 -9.711 0.817 1.00 0.00 H new ATOM 0 H5'' DT C 16 2.025 -10.271 2.389 1.00 0.00 H new ATOM 0 H4' DT C 16 3.516 -8.573 1.430 1.00 0.00 H new ATOM 0 H3' DT C 16 2.382 -8.339 4.128 1.00 0.00 H new ATOM 0 H2' DT C 16 2.004 -6.034 4.064 1.00 0.00 H new ATOM 0 H2'' DT C 16 3.718 -5.832 3.763 1.00 0.00 H new ATOM 0 H1' DT C 16 3.406 -5.497 1.489 1.00 0.00 H new ATOM 0 H3 DT C 16 0.755 -1.844 0.975 1.00 0.00 H new ATOM 0 H71 DT C 16 -2.284 -5.986 2.715 1.00 0.00 H new ATOM 0 H72 DT C 16 -2.309 -4.672 3.915 1.00 0.00 H new ATOM 0 H73 DT C 16 -3.023 -4.420 2.305 1.00 0.00 H new ATOM 0 H6 DT C 16 0.049 -6.240 2.766 1.00 0.00 H new ATOM 507 P DC C 17 5.013 -8.035 5.120 1.00 0.00 P ATOM 508 OP1 DC C 17 6.257 -8.836 5.147 1.00 0.00 O ATOM 509 OP2 DC C 17 3.971 -8.275 6.144 1.00 0.00 O ATOM 510 O5' DC C 17 5.427 -6.471 5.192 1.00 0.00 O ATOM 511 C5' DC C 17 6.493 -5.942 4.424 1.00 0.00 C ATOM 512 C4' DC C 17 6.512 -4.409 4.487 1.00 0.00 C ATOM 513 O4' DC C 17 5.383 -3.839 3.844 1.00 0.00 O ATOM 514 C3' DC C 17 6.573 -3.843 5.914 1.00 0.00 C ATOM 515 O3' DC C 17 7.918 -3.522 6.232 1.00 0.00 O ATOM 516 C2' DC C 17 5.658 -2.639 5.800 1.00 0.00 C ATOM 517 C1' DC C 17 5.189 -2.531 4.356 1.00 0.00 C ATOM 518 N1 DC C 17 3.742 -2.189 4.417 1.00 0.00 N ATOM 519 C2 DC C 17 3.258 -0.933 4.061 1.00 0.00 C ATOM 520 O2 DC C 17 4.025 -0.032 3.738 1.00 0.00 O ATOM 521 N3 DC C 17 1.910 -0.715 4.154 1.00 0.00 N ATOM 522 C4 DC C 17 1.055 -1.666 4.576 1.00 0.00 C ATOM 523 N4 DC C 17 -0.253 -1.376 4.642 1.00 0.00 N ATOM 524 C5 DC C 17 1.557 -2.961 4.957 1.00 0.00 C ATOM 525 C6 DC C 17 2.874 -3.144 4.851 1.00 0.00 C ATOM 0 H5' DC C 17 6.394 -6.265 3.388 1.00 0.00 H new ATOM 0 H5'' DC C 17 7.441 -6.336 4.792 1.00 0.00 H new ATOM 0 H4' DC C 17 7.430 -4.135 3.968 1.00 0.00 H new ATOM 0 H3' DC C 17 6.260 -4.513 6.715 1.00 0.00 H new ATOM 0 H2' DC C 17 4.805 -2.746 6.470 1.00 0.00 H new ATOM 0 H2'' DC C 17 6.185 -1.732 6.097 1.00 0.00 H new ATOM 0 H1' DC C 17 5.702 -1.788 3.745 1.00 0.00 H new ATOM 0 H41 DC C 17 -0.917 -2.083 4.959 1.00 0.00 H new ATOM 0 H42 DC C 17 -0.584 -0.449 4.375 1.00 0.00 H new ATOM 0 H5 DC C 17 0.901 -3.743 5.310 1.00 0.00 H new ATOM 0 H6 DC C 17 3.276 -4.108 5.126 1.00 0.00 H new ATOM 537 P DT C 18 8.389 -3.072 7.715 1.00 0.00 P ATOM 538 OP1 DT C 18 9.867 -3.124 7.758 1.00 0.00 O ATOM 539 OP2 DT C 18 7.603 -3.837 8.709 1.00 0.00 O ATOM 540 O5' DT C 18 7.941 -1.526 7.812 1.00 0.00 O ATOM 541 C5' DT C 18 8.554 -0.521 7.027 1.00 0.00 C ATOM 542 C4' DT C 18 7.869 0.824 7.287 1.00 0.00 C ATOM 543 O4' DT C 18 6.508 0.744 6.885 1.00 0.00 O ATOM 544 C3' DT C 18 7.892 1.197 8.777 1.00 0.00 C ATOM 545 O3' DT C 18 8.146 2.579 8.930 1.00 0.00 O ATOM 546 C2' DT C 18 6.469 0.881 9.221 1.00 0.00 C ATOM 547 C1' DT C 18 5.709 1.234 7.942 1.00 0.00 C ATOM 548 N1 DT C 18 4.309 0.714 7.880 1.00 0.00 N ATOM 549 C2 DT C 18 3.318 1.603 7.454 1.00 0.00 C ATOM 550 O2 DT C 18 3.549 2.763 7.121 1.00 0.00 O ATOM 551 N3 DT C 18 2.020 1.112 7.409 1.00 0.00 N ATOM 552 C4 DT C 18 1.622 -0.173 7.756 1.00 0.00 C ATOM 553 O4 DT C 18 0.440 -0.497 7.680 1.00 0.00 O ATOM 554 C5 DT C 18 2.704 -1.041 8.184 1.00 0.00 C ATOM 555 C7 DT C 18 2.365 -2.463 8.596 1.00 0.00 C ATOM 556 C6 DT C 18 3.987 -0.584 8.234 1.00 0.00 C ATOM 0 H5' DT C 18 8.484 -0.778 5.970 1.00 0.00 H new ATOM 0 H5'' DT C 18 9.615 -0.453 7.269 1.00 0.00 H new ATOM 0 H4' DT C 18 8.411 1.581 6.721 1.00 0.00 H new ATOM 0 H3' DT C 18 8.659 0.671 9.346 1.00 0.00 H new ATOM 0 H2' DT C 18 6.343 -0.164 9.506 1.00 0.00 H new ATOM 0 H2'' DT C 18 6.154 1.484 10.073 1.00 0.00 H new ATOM 0 HO3' DT C 18 8.157 2.806 9.883 1.00 0.00 H new ATOM 0 H1' DT C 18 5.562 2.313 7.887 1.00 0.00 H new ATOM 0 H3 DT C 18 1.293 1.753 7.092 1.00 0.00 H new ATOM 0 H71 DT C 18 3.210 -3.116 8.378 1.00 0.00 H new ATOM 0 H72 DT C 18 2.151 -2.491 9.664 1.00 0.00 H new ATOM 0 H73 DT C 18 1.490 -2.804 8.042 1.00 0.00 H new ATOM 0 H6 DT C 18 4.772 -1.252 8.558 1.00 0.00 H new TER 570 DT C 18