USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 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 DC O5' : rot 26:sc= 0.0117 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.73! (180deg=-1.73!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.62! (180deg=-1.62!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.714 -9.621 -0.914 1.00 0.00 O ATOM 2 C5' DC A 1 4.048 -9.156 -0.877 1.00 0.00 C ATOM 3 C4' DC A 1 4.233 -8.062 0.182 1.00 0.00 C ATOM 4 O4' DC A 1 3.313 -6.998 -0.024 1.00 0.00 O ATOM 5 C3' DC A 1 3.974 -8.537 1.621 1.00 0.00 C ATOM 6 O3' DC A 1 5.035 -9.160 2.344 1.00 0.00 O ATOM 7 C2' DC A 1 3.421 -7.266 2.312 1.00 0.00 C ATOM 8 C1' DC A 1 3.266 -6.240 1.172 1.00 0.00 C ATOM 9 N1 DC A 1 2.054 -5.381 1.285 1.00 0.00 N ATOM 10 C2 DC A 1 2.144 -3.983 1.294 1.00 0.00 C ATOM 11 O2 DC A 1 3.223 -3.404 1.200 1.00 0.00 O ATOM 12 N3 DC A 1 0.991 -3.256 1.410 1.00 0.00 N ATOM 13 C4 DC A 1 -0.204 -3.861 1.518 1.00 0.00 C ATOM 14 N4 DC A 1 -1.307 -3.115 1.647 1.00 0.00 N ATOM 15 C5 DC A 1 -0.319 -5.290 1.464 1.00 0.00 C ATOM 16 C6 DC A 1 0.835 -5.985 1.344 1.00 0.00 C ATOM 0 H5' DC A 1 4.326 -8.766 -1.856 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.719 -9.988 -0.663 1.00 0.00 H new ATOM 0 H4' DC A 1 5.274 -7.758 0.070 1.00 0.00 H new ATOM 0 H3' DC A 1 3.293 -9.388 1.600 1.00 0.00 H new ATOM 0 H2' DC A 1 2.467 -7.464 2.800 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.103 -6.904 3.081 1.00 0.00 H new ATOM 0 HO5' DC A 1 2.114 -8.921 -0.583 1.00 0.00 H new ATOM 0 H1' DC A 1 4.069 -5.503 1.206 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.219 -3.564 1.730 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.236 -2.098 1.663 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.277 -5.785 1.516 1.00 0.00 H new ATOM 0 H6 DC A 1 0.788 -7.063 1.293 1.00 0.00 H new ATOM 29 P DG A 2 6.568 -8.624 2.463 1.00 0.00 P ATOM 30 OP1 DG A 2 7.176 -8.654 1.114 1.00 0.00 O ATOM 31 OP2 DG A 2 7.205 -9.400 3.549 1.00 0.00 O ATOM 32 O5' DG A 2 6.496 -7.087 2.966 1.00 0.00 O ATOM 33 C5' DG A 2 7.047 -6.037 2.193 1.00 0.00 C ATOM 34 C4' DG A 2 7.056 -4.696 2.910 1.00 0.00 C ATOM 35 O4' DG A 2 5.750 -4.148 2.868 1.00 0.00 O ATOM 36 C3' DG A 2 7.526 -4.744 4.373 1.00 0.00 C ATOM 37 O3' DG A 2 8.495 -3.726 4.517 1.00 0.00 O ATOM 38 C2' DG A 2 6.185 -4.524 5.070 1.00 0.00 C ATOM 39 C1' DG A 2 5.529 -3.542 4.113 1.00 0.00 C ATOM 40 N9 DG A 2 4.084 -3.360 4.378 1.00 0.00 N ATOM 41 C8 DG A 2 3.182 -4.304 4.794 1.00 0.00 C ATOM 42 N7 DG A 2 1.943 -3.904 4.794 1.00 0.00 N ATOM 43 C5 DG A 2 2.030 -2.577 4.394 1.00 0.00 C ATOM 44 C6 DG A 2 0.995 -1.615 4.212 1.00 0.00 C ATOM 45 O6 DG A 2 -0.216 -1.806 4.243 1.00 0.00 O ATOM 46 N1 DG A 2 1.491 -0.336 3.976 1.00 0.00 N ATOM 47 C2 DG A 2 2.833 -0.041 3.822 1.00 0.00 C ATOM 48 N2 DG A 2 3.151 1.241 3.610 1.00 0.00 N ATOM 49 N3 DG A 2 3.804 -0.971 3.882 1.00 0.00 N ATOM 50 C4 DG A 2 3.340 -2.215 4.188 1.00 0.00 C ATOM 0 H5' DG A 2 6.479 -5.941 1.267 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.068 -6.298 1.915 1.00 0.00 H new ATOM 0 H4' DG A 2 7.784 -4.080 2.383 1.00 0.00 H new ATOM 0 H3' DG A 2 8.020 -5.633 4.764 1.00 0.00 H new ATOM 0 H2' DG A 2 5.615 -5.447 5.171 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.302 -4.110 6.072 1.00 0.00 H new ATOM 0 H1' DG A 2 5.937 -2.535 4.197 1.00 0.00 H new ATOM 0 H8 DG A 2 3.475 -5.298 5.097 1.00 0.00 H new ATOM 0 H1 DG A 2 0.822 0.432 3.913 1.00 0.00 H new ATOM 0 H21 DG A 2 4.127 1.511 3.490 1.00 0.00 H new ATOM 0 H22 DG A 2 2.417 1.948 3.568 1.00 0.00 H new ATOM 62 P DC A 3 9.027 -3.197 5.936 1.00 0.00 P ATOM 63 OP1 DC A 3 10.473 -2.905 5.819 1.00 0.00 O ATOM 64 OP2 DC A 3 8.531 -4.076 7.019 1.00 0.00 O ATOM 65 O5' DC A 3 8.218 -1.810 5.973 1.00 0.00 O ATOM 66 C5' DC A 3 8.490 -0.794 5.024 1.00 0.00 C ATOM 67 C4' DC A 3 7.764 0.493 5.403 1.00 0.00 C ATOM 68 O4' DC A 3 6.367 0.298 5.306 1.00 0.00 O ATOM 69 C3' DC A 3 8.105 0.945 6.829 1.00 0.00 C ATOM 70 O3' DC A 3 8.618 2.264 6.748 1.00 0.00 O ATOM 71 C2' DC A 3 6.783 0.803 7.561 1.00 0.00 C ATOM 72 C1' DC A 3 5.747 0.847 6.448 1.00 0.00 C ATOM 73 N1 DC A 3 4.596 -0.013 6.822 1.00 0.00 N ATOM 74 C2 DC A 3 3.330 0.543 6.992 1.00 0.00 C ATOM 75 O2 DC A 3 3.126 1.744 6.831 1.00 0.00 O ATOM 76 N3 DC A 3 2.307 -0.286 7.344 1.00 0.00 N ATOM 77 C4 DC A 3 2.503 -1.594 7.563 1.00 0.00 C ATOM 78 N4 DC A 3 1.455 -2.370 7.848 1.00 0.00 N ATOM 79 C5 DC A 3 3.809 -2.168 7.454 1.00 0.00 C ATOM 80 C6 DC A 3 4.804 -1.351 7.055 1.00 0.00 C ATOM 0 H5' DC A 3 8.174 -1.119 4.033 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.564 -0.612 4.973 1.00 0.00 H new ATOM 0 H4' DC A 3 8.091 1.269 4.711 1.00 0.00 H new ATOM 0 H3' DC A 3 8.871 0.377 7.357 1.00 0.00 H new ATOM 0 H2' DC A 3 6.732 -0.132 8.118 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.634 1.610 8.279 1.00 0.00 H new ATOM 0 H1' DC A 3 5.395 1.863 6.271 1.00 0.00 H new ATOM 0 H41 DC A 3 1.590 -3.367 8.017 1.00 0.00 H new ATOM 0 H42 DC A 3 0.520 -1.966 7.897 1.00 0.00 H new ATOM 0 H5 DC A 3 3.989 -3.208 7.681 1.00 0.00 H new ATOM 0 H6 DC A 3 5.794 -1.760 6.914 1.00 0.00 H new ATOM 92 P DT A 4 9.007 3.140 8.042 1.00 0.00 P ATOM 93 OP1 DT A 4 9.851 4.271 7.599 1.00 0.00 O ATOM 94 OP2 DT A 4 9.489 2.229 9.104 1.00 0.00 O ATOM 95 O5' DT A 4 7.573 3.721 8.483 1.00 0.00 O ATOM 96 C5' DT A 4 6.784 4.502 7.605 1.00 0.00 C ATOM 97 C4' DT A 4 5.519 4.976 8.327 1.00 0.00 C ATOM 98 O4' DT A 4 4.641 3.882 8.522 1.00 0.00 O ATOM 99 C3' DT A 4 5.811 5.610 9.692 1.00 0.00 C ATOM 100 O3' DT A 4 5.377 6.959 9.708 1.00 0.00 O ATOM 101 C2' DT A 4 5.065 4.695 10.666 1.00 0.00 C ATOM 102 C1' DT A 4 4.026 4.001 9.788 1.00 0.00 C ATOM 103 N1 DT A 4 3.623 2.639 10.255 1.00 0.00 N ATOM 104 C2 DT A 4 2.263 2.335 10.321 1.00 0.00 C ATOM 105 O2 DT A 4 1.376 3.184 10.265 1.00 0.00 O ATOM 106 N3 DT A 4 1.938 0.993 10.458 1.00 0.00 N ATOM 107 C4 DT A 4 2.827 -0.068 10.535 1.00 0.00 C ATOM 108 O4 DT A 4 2.397 -1.215 10.645 1.00 0.00 O ATOM 109 C5 DT A 4 4.227 0.324 10.474 1.00 0.00 C ATOM 110 C7 DT A 4 5.324 -0.736 10.462 1.00 0.00 C ATOM 111 C6 DT A 4 4.563 1.635 10.353 1.00 0.00 C ATOM 0 H5' DT A 4 6.514 3.917 6.726 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.356 5.360 7.253 1.00 0.00 H new ATOM 0 H4' DT A 4 5.067 5.738 7.692 1.00 0.00 H new ATOM 0 H3' DT A 4 6.867 5.674 9.953 1.00 0.00 H new ATOM 0 H2' DT A 4 5.737 3.976 11.135 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.595 5.263 11.469 1.00 0.00 H new ATOM 0 H1' DT A 4 3.108 4.588 9.798 1.00 0.00 H new ATOM 0 H3 DT A 4 0.945 0.764 10.507 1.00 0.00 H new ATOM 0 H71 DT A 4 6.185 -0.363 9.907 1.00 0.00 H new ATOM 0 H72 DT A 4 5.623 -0.962 11.486 1.00 0.00 H new ATOM 0 H73 DT A 4 4.950 -1.642 9.985 1.00 0.00 H new ATOM 0 H6 DT A 4 5.609 1.902 10.333 1.00 0.00 H new ATOM 124 P DA A 5 5.529 7.903 11.012 1.00 0.00 P ATOM 125 OP1 DA A 5 5.703 9.301 10.560 1.00 0.00 O ATOM 126 OP2 DA A 5 6.512 7.297 11.937 1.00 0.00 O ATOM 127 O5' DA A 5 4.062 7.758 11.661 1.00 0.00 O ATOM 128 C5' DA A 5 2.936 8.266 10.977 1.00 0.00 C ATOM 129 C4' DA A 5 1.636 7.882 11.661 1.00 0.00 C ATOM 130 O4' DA A 5 1.507 6.480 11.750 1.00 0.00 O ATOM 131 C3' DA A 5 1.503 8.481 13.066 1.00 0.00 C ATOM 132 O3' DA A 5 0.384 9.342 13.010 1.00 0.00 O ATOM 133 C2' DA A 5 1.452 7.247 13.954 1.00 0.00 C ATOM 134 C1' DA A 5 0.946 6.173 13.007 1.00 0.00 C ATOM 135 N9 DA A 5 1.377 4.802 13.354 1.00 0.00 N ATOM 136 C8 DA A 5 2.646 4.315 13.560 1.00 0.00 C ATOM 137 N7 DA A 5 2.713 3.015 13.656 1.00 0.00 N ATOM 138 C5 DA A 5 1.392 2.607 13.511 1.00 0.00 C ATOM 139 C6 DA A 5 0.760 1.345 13.505 1.00 0.00 C ATOM 140 N6 DA A 5 1.426 0.190 13.631 1.00 0.00 N ATOM 141 N1 DA A 5 -0.579 1.305 13.361 1.00 0.00 N ATOM 142 C2 DA A 5 -1.249 2.445 13.199 1.00 0.00 C ATOM 143 N3 DA A 5 -0.772 3.680 13.143 1.00 0.00 N ATOM 144 C4 DA A 5 0.574 3.693 13.319 1.00 0.00 C ATOM 0 H5' DA A 5 2.933 7.890 9.954 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.007 9.352 10.917 1.00 0.00 H new ATOM 0 H4' DA A 5 0.840 8.293 11.040 1.00 0.00 H new ATOM 0 H3' DA A 5 2.294 9.116 13.465 1.00 0.00 H new ATOM 0 H2' DA A 5 2.433 6.999 14.359 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.782 7.386 14.803 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.143 6.176 13.042 1.00 0.00 H new ATOM 0 H8 DA A 5 3.514 4.954 13.636 1.00 0.00 H new ATOM 0 H61 DA A 5 0.919 -0.695 13.620 1.00 0.00 H new ATOM 0 H62 DA A 5 2.440 0.195 13.738 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.320 2.350 13.100 1.00 0.00 H new ATOM 156 P DG A 6 -0.175 10.136 14.282 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.916 11.330 13.817 1.00 0.00 O ATOM 158 OP2 DG A 6 0.896 10.264 15.296 1.00 0.00 O ATOM 159 O5' DG A 6 -1.220 9.031 14.762 1.00 0.00 O ATOM 160 C5' DG A 6 -2.345 8.689 13.976 1.00 0.00 C ATOM 161 C4' DG A 6 -3.065 7.526 14.652 1.00 0.00 C ATOM 162 O4' DG A 6 -2.307 6.321 14.510 1.00 0.00 O ATOM 163 C3' DG A 6 -3.222 7.821 16.154 1.00 0.00 C ATOM 164 O3' DG A 6 -4.556 7.668 16.592 1.00 0.00 O ATOM 165 C2' DG A 6 -2.257 6.793 16.715 1.00 0.00 C ATOM 166 C1' DG A 6 -2.389 5.644 15.745 1.00 0.00 C ATOM 167 N9 DG A 6 -1.354 4.621 16.029 1.00 0.00 N ATOM 168 C8 DG A 6 -0.019 4.780 16.318 1.00 0.00 C ATOM 169 N7 DG A 6 0.614 3.672 16.569 1.00 0.00 N ATOM 170 C5 DG A 6 -0.375 2.704 16.477 1.00 0.00 C ATOM 171 C6 DG A 6 -0.287 1.295 16.662 1.00 0.00 C ATOM 172 O6 DG A 6 0.724 0.629 16.858 1.00 0.00 O ATOM 173 N1 DG A 6 -1.531 0.675 16.600 1.00 0.00 N ATOM 174 C2 DG A 6 -2.723 1.328 16.352 1.00 0.00 C ATOM 175 N2 DG A 6 -3.838 0.591 16.372 1.00 0.00 N ATOM 176 N3 DG A 6 -2.799 2.649 16.130 1.00 0.00 N ATOM 177 C4 DG A 6 -1.594 3.278 16.208 1.00 0.00 C ATOM 0 H5' DG A 6 -2.034 8.410 12.969 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.014 9.544 13.878 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.041 7.405 14.182 1.00 0.00 H new ATOM 0 H3' DG A 6 -3.006 8.843 16.464 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.237 7.175 16.753 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.525 6.498 17.730 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.301 5.048 15.790 1.00 0.00 H new ATOM 0 H8 DG A 6 0.464 5.746 16.335 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.565 -0.334 16.748 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.742 1.029 16.195 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.785 -0.409 16.565 1.00 0.00 H new ATOM 189 P DC A 7 -4.984 7.856 18.144 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.273 8.582 18.188 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.829 8.357 18.924 1.00 0.00 O ATOM 192 O5' DC A 7 -5.248 6.319 18.547 1.00 0.00 O ATOM 193 C5' DC A 7 -6.153 5.565 17.773 1.00 0.00 C ATOM 194 C4' DC A 7 -6.486 4.182 18.321 1.00 0.00 C ATOM 195 O4' DC A 7 -5.391 3.311 18.127 1.00 0.00 O ATOM 196 C3' DC A 7 -6.897 4.191 19.794 1.00 0.00 C ATOM 197 O3' DC A 7 -8.086 3.431 19.936 1.00 0.00 O ATOM 198 C2' DC A 7 -5.669 3.575 20.432 1.00 0.00 C ATOM 199 C1' DC A 7 -5.093 2.675 19.346 1.00 0.00 C ATOM 200 N1 DC A 7 -3.615 2.599 19.475 1.00 0.00 N ATOM 201 C2 DC A 7 -2.980 1.381 19.734 1.00 0.00 C ATOM 202 O2 DC A 7 -3.615 0.336 19.861 1.00 0.00 O ATOM 203 N3 DC A 7 -1.618 1.373 19.843 1.00 0.00 N ATOM 204 C4 DC A 7 -0.904 2.504 19.721 1.00 0.00 C ATOM 205 N4 DC A 7 0.428 2.446 19.791 1.00 0.00 N ATOM 206 C5 DC A 7 -1.542 3.757 19.441 1.00 0.00 C ATOM 207 C6 DC A 7 -2.881 3.749 19.312 1.00 0.00 C ATOM 0 H5' DC A 7 -5.740 5.451 16.771 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.079 6.131 17.674 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.353 3.827 17.763 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.142 5.154 20.243 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.953 4.339 20.737 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.928 3.006 21.325 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.504 1.668 19.414 1.00 0.00 H new ATOM 0 H41 DC A 7 0.981 3.298 19.700 1.00 0.00 H new ATOM 0 H42 DC A 7 0.892 1.550 19.936 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.972 4.668 19.338 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.392 4.670 19.074 1.00 0.00 H new ATOM 219 P DG A 8 -8.879 3.302 21.336 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.222 2.746 21.059 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.748 4.575 22.078 1.00 0.00 O ATOM 222 O5' DG A 8 -8.023 2.180 22.107 1.00 0.00 O ATOM 223 C5' DG A 8 -7.898 0.870 21.589 1.00 0.00 C ATOM 224 C4' DG A 8 -6.976 0.024 22.473 1.00 0.00 C ATOM 225 O4' DG A 8 -5.625 0.321 22.162 1.00 0.00 O ATOM 226 C3' DG A 8 -7.159 0.248 23.986 1.00 0.00 C ATOM 227 O3' DG A 8 -7.289 -0.981 24.672 1.00 0.00 O ATOM 228 C2' DG A 8 -5.855 0.935 24.376 1.00 0.00 C ATOM 229 C1' DG A 8 -4.902 0.307 23.370 1.00 0.00 C ATOM 230 N9 DG A 8 -3.611 1.017 23.246 1.00 0.00 N ATOM 231 C8 DG A 8 -3.352 2.364 23.191 1.00 0.00 C ATOM 232 N7 DG A 8 -2.088 2.653 23.037 1.00 0.00 N ATOM 233 C5 DG A 8 -1.459 1.411 22.991 1.00 0.00 C ATOM 234 C6 DG A 8 -0.079 1.071 22.832 1.00 0.00 C ATOM 235 O6 DG A 8 0.880 1.828 22.696 1.00 0.00 O ATOM 236 N1 DG A 8 0.137 -0.306 22.840 1.00 0.00 N ATOM 237 C2 DG A 8 -0.859 -1.250 22.999 1.00 0.00 C ATOM 238 N2 DG A 8 -0.494 -2.534 23.008 1.00 0.00 N ATOM 239 N3 DG A 8 -2.155 -0.934 23.135 1.00 0.00 N ATOM 240 C4 DG A 8 -2.387 0.406 23.121 1.00 0.00 C ATOM 0 H5' DG A 8 -7.501 0.911 20.575 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.881 0.402 21.528 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.241 -1.012 22.261 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.054 0.820 24.231 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.910 2.019 24.274 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.568 0.726 25.406 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.402 -0.810 25.630 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.606 -0.695 23.681 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.123 3.116 23.268 1.00 0.00 H new ATOM 0 H1 DG A 8 1.094 -0.639 22.721 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.198 -3.263 23.123 1.00 0.00 H new ATOM 0 H22 DG A 8 0.489 -2.786 22.900 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 7.922 -7.450 24.838 1.00 0.00 O ATOM 255 C5' DC B 1 7.291 -6.188 24.823 1.00 0.00 C ATOM 256 C4' DC B 1 6.100 -6.190 23.858 1.00 0.00 C ATOM 257 O4' DC B 1 5.435 -4.945 23.895 1.00 0.00 O ATOM 258 C3' DC B 1 6.473 -6.480 22.400 1.00 0.00 C ATOM 259 O3' DC B 1 6.158 -7.853 22.199 1.00 0.00 O ATOM 260 C2' DC B 1 5.578 -5.471 21.632 1.00 0.00 C ATOM 261 C1' DC B 1 4.679 -4.852 22.709 1.00 0.00 C ATOM 262 N1 DC B 1 4.297 -3.444 22.435 1.00 0.00 N ATOM 263 C2 DC B 1 2.957 -3.050 22.389 1.00 0.00 C ATOM 264 O2 DC B 1 2.045 -3.864 22.513 1.00 0.00 O ATOM 265 N3 DC B 1 2.677 -1.725 22.201 1.00 0.00 N ATOM 266 C4 DC B 1 3.660 -0.821 22.054 1.00 0.00 C ATOM 267 N4 DC B 1 3.339 0.462 21.859 1.00 0.00 N ATOM 268 C5 DC B 1 5.041 -1.204 22.158 1.00 0.00 C ATOM 269 C6 DC B 1 5.290 -2.518 22.354 1.00 0.00 C ATOM 0 H5' DC B 1 8.006 -5.422 24.524 1.00 0.00 H new ATOM 0 H5'' DC B 1 6.952 -5.933 25.827 1.00 0.00 H new ATOM 0 H4' DC B 1 5.458 -7.001 24.203 1.00 0.00 H new ATOM 0 H3' DC B 1 7.509 -6.355 22.086 1.00 0.00 H new ATOM 0 H2' DC B 1 6.178 -4.711 21.131 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.989 -5.970 20.863 1.00 0.00 H new ATOM 0 HO5' DC B 1 8.681 -7.429 25.458 1.00 0.00 H new ATOM 0 H1' DC B 1 3.726 -5.379 22.759 1.00 0.00 H new ATOM 0 H41 DC B 1 4.074 1.160 21.746 1.00 0.00 H new ATOM 0 H42 DC B 1 2.359 0.743 21.824 1.00 0.00 H new ATOM 0 H5 DC B 1 5.839 -0.480 22.083 1.00 0.00 H new ATOM 0 H6 DC B 1 6.315 -2.845 22.450 1.00 0.00 H new ATOM 282 P DG B 2 5.891 -8.528 20.761 1.00 0.00 P ATOM 283 OP1 DG B 2 5.981 -9.996 20.918 1.00 0.00 O ATOM 284 OP2 DG B 2 6.729 -7.840 19.753 1.00 0.00 O ATOM 285 O5' DG B 2 4.344 -8.148 20.486 1.00 0.00 O ATOM 286 C5' DG B 2 3.321 -8.404 21.434 1.00 0.00 C ATOM 287 C4' DG B 2 1.948 -8.067 20.868 1.00 0.00 C ATOM 288 O4' DG B 2 1.758 -6.665 20.960 1.00 0.00 O ATOM 289 C3' DG B 2 1.766 -8.502 19.408 1.00 0.00 C ATOM 290 O3' DG B 2 0.486 -9.092 19.302 1.00 0.00 O ATOM 291 C2' DG B 2 1.950 -7.146 18.738 1.00 0.00 C ATOM 292 C1' DG B 2 1.239 -6.239 19.730 1.00 0.00 C ATOM 293 N9 DG B 2 1.533 -4.811 19.485 1.00 0.00 N ATOM 294 C8 DG B 2 2.731 -4.268 19.109 1.00 0.00 C ATOM 295 N7 DG B 2 2.747 -2.967 19.062 1.00 0.00 N ATOM 296 C5 DG B 2 1.448 -2.615 19.408 1.00 0.00 C ATOM 297 C6 DG B 2 0.860 -1.322 19.541 1.00 0.00 C ATOM 298 O6 DG B 2 1.421 -0.233 19.479 1.00 0.00 O ATOM 299 N1 DG B 2 -0.511 -1.382 19.770 1.00 0.00 N ATOM 300 C2 DG B 2 -1.218 -2.556 19.955 1.00 0.00 C ATOM 301 N2 DG B 2 -2.534 -2.444 20.166 1.00 0.00 N ATOM 302 N3 DG B 2 -0.646 -3.772 19.929 1.00 0.00 N ATOM 303 C4 DG B 2 0.684 -3.736 19.636 1.00 0.00 C ATOM 0 H5' DG B 2 3.500 -7.816 22.334 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.348 -9.453 21.728 1.00 0.00 H new ATOM 0 H4' DG B 2 1.211 -8.617 21.453 1.00 0.00 H new ATOM 0 H3' DG B 2 2.427 -9.252 18.974 1.00 0.00 H new ATOM 0 H2' DG B 2 3.001 -6.884 18.618 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.497 -7.110 17.747 1.00 0.00 H new ATOM 0 H1' DG B 2 0.153 -6.308 19.668 1.00 0.00 H new ATOM 0 H8 DG B 2 3.595 -4.871 18.870 1.00 0.00 H new ATOM 0 H1 DG B 2 -1.028 -0.503 19.804 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.101 -3.280 20.308 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.971 -1.522 20.185 1.00 0.00 H new ATOM 315 P DC B 3 -0.230 -9.398 17.899 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.012 -10.647 18.032 1.00 0.00 O ATOM 317 OP2 DC B 3 0.750 -9.251 16.800 1.00 0.00 O ATOM 318 O5' DC B 3 -1.245 -8.151 17.862 1.00 0.00 O ATOM 319 C5' DC B 3 -2.326 -8.067 18.774 1.00 0.00 C ATOM 320 C4' DC B 3 -3.250 -6.919 18.370 1.00 0.00 C ATOM 321 O4' DC B 3 -2.571 -5.683 18.451 1.00 0.00 O ATOM 322 C3' DC B 3 -3.798 -7.089 16.946 1.00 0.00 C ATOM 323 O3' DC B 3 -5.214 -7.116 17.014 1.00 0.00 O ATOM 324 C2' DC B 3 -3.218 -5.895 16.210 1.00 0.00 C ATOM 325 C1' DC B 3 -2.901 -4.904 17.320 1.00 0.00 C ATOM 326 N1 DC B 3 -1.715 -4.107 16.929 1.00 0.00 N ATOM 327 C2 DC B 3 -1.814 -2.729 16.748 1.00 0.00 C ATOM 328 O2 DC B 3 -2.878 -2.132 16.889 1.00 0.00 O ATOM 329 N3 DC B 3 -0.684 -2.046 16.407 1.00 0.00 N ATOM 330 C4 DC B 3 0.488 -2.669 16.223 1.00 0.00 C ATOM 331 N4 DC B 3 1.573 -1.942 15.944 1.00 0.00 N ATOM 332 C5 DC B 3 0.594 -4.091 16.358 1.00 0.00 C ATOM 333 C6 DC B 3 -0.521 -4.751 16.730 1.00 0.00 C ATOM 0 H5' DC B 3 -1.951 -7.906 19.785 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.879 -9.006 18.785 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.088 -6.934 19.067 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.526 -8.010 16.431 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.324 -6.167 15.649 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.929 -5.481 15.495 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.736 -4.231 17.515 1.00 0.00 H new ATOM 0 H41 DC B 3 2.472 -2.402 15.801 1.00 0.00 H new ATOM 0 H42 DC B 3 1.502 -0.927 15.874 1.00 0.00 H new ATOM 0 H5 DC B 3 1.523 -4.610 16.171 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.472 -5.820 16.876 1.00 0.00 H new ATOM 345 P DT B 4 -6.159 -7.195 15.709 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.515 -7.595 16.146 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.460 -7.978 14.666 1.00 0.00 O ATOM 348 O5' DT B 4 -6.217 -5.656 15.233 1.00 0.00 O ATOM 349 C5' DT B 4 -6.670 -4.631 16.098 1.00 0.00 C ATOM 350 C4' DT B 4 -6.680 -3.277 15.383 1.00 0.00 C ATOM 351 O4' DT B 4 -5.348 -2.827 15.217 1.00 0.00 O ATOM 352 C3' DT B 4 -7.354 -3.328 14.008 1.00 0.00 C ATOM 353 O3' DT B 4 -8.457 -2.441 13.949 1.00 0.00 O ATOM 354 C2' DT B 4 -6.217 -2.957 13.057 1.00 0.00 C ATOM 355 C1' DT B 4 -5.218 -2.225 13.947 1.00 0.00 C ATOM 356 N1 DT B 4 -3.801 -2.349 13.498 1.00 0.00 N ATOM 357 C2 DT B 4 -3.031 -1.191 13.397 1.00 0.00 C ATOM 358 O2 DT B 4 -3.507 -0.059 13.423 1.00 0.00 O ATOM 359 N3 DT B 4 -1.664 -1.374 13.259 1.00 0.00 N ATOM 360 C4 DT B 4 -0.997 -2.589 13.202 1.00 0.00 C ATOM 361 O4 DT B 4 0.227 -2.610 13.093 1.00 0.00 O ATOM 362 C5 DT B 4 -1.867 -3.750 13.280 1.00 0.00 C ATOM 363 C7 DT B 4 -1.267 -5.149 13.276 1.00 0.00 C ATOM 364 C6 DT B 4 -3.209 -3.589 13.413 1.00 0.00 C ATOM 0 H5' DT B 4 -6.025 -4.579 16.975 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.673 -4.867 16.453 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.258 -2.594 16.006 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.789 -4.296 13.758 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.773 -3.842 12.601 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.568 -2.322 12.244 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.437 -1.157 13.931 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.092 -0.532 13.193 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.909 -5.822 13.844 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.184 -5.507 12.250 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.277 -5.122 13.731 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.836 -4.468 13.454 1.00 0.00 H new ATOM 377 P DA B 5 -9.343 -2.268 12.607 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.703 -1.833 12.997 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.167 -3.467 11.756 1.00 0.00 O ATOM 380 O5' DA B 5 -8.591 -1.030 11.899 1.00 0.00 O ATOM 381 C5' DA B 5 -8.684 0.264 12.453 1.00 0.00 C ATOM 382 C4' DA B 5 -7.830 1.298 11.724 1.00 0.00 C ATOM 383 O4' DA B 5 -6.476 0.882 11.734 1.00 0.00 O ATOM 384 C3' DA B 5 -8.268 1.453 10.260 1.00 0.00 C ATOM 385 O3' DA B 5 -8.073 2.757 9.766 1.00 0.00 O ATOM 386 C2' DA B 5 -7.244 0.598 9.554 1.00 0.00 C ATOM 387 C1' DA B 5 -6.015 0.930 10.403 1.00 0.00 C ATOM 388 N9 DA B 5 -4.898 -0.010 10.206 1.00 0.00 N ATOM 389 C8 DA B 5 -4.933 -1.365 10.026 1.00 0.00 C ATOM 390 N7 DA B 5 -3.754 -1.929 9.981 1.00 0.00 N ATOM 391 C5 DA B 5 -2.870 -0.859 10.115 1.00 0.00 C ATOM 392 C6 DA B 5 -1.459 -0.744 10.141 1.00 0.00 C ATOM 393 N6 DA B 5 -0.623 -1.788 10.080 1.00 0.00 N ATOM 394 N1 DA B 5 -0.922 0.486 10.243 1.00 0.00 N ATOM 395 C2 DA B 5 -1.729 1.540 10.341 1.00 0.00 C ATOM 396 N3 DA B 5 -3.053 1.564 10.371 1.00 0.00 N ATOM 397 C4 DA B 5 -3.569 0.316 10.246 1.00 0.00 C ATOM 0 H5' DA B 5 -8.381 0.226 13.499 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.725 0.585 12.434 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.952 2.252 12.237 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.322 1.206 10.131 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.495 -0.462 9.577 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.117 0.873 8.507 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.608 1.902 10.123 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.854 -1.921 9.929 1.00 0.00 H new ATOM 0 H61 DA B 5 0.385 -1.636 10.103 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.994 -2.735 10.010 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.240 2.501 10.404 1.00 0.00 H new ATOM 409 P DG B 6 -9.140 3.931 9.970 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.300 4.209 11.415 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.324 3.650 9.128 1.00 0.00 O ATOM 412 O5' DG B 6 -8.299 5.122 9.300 1.00 0.00 O ATOM 413 C5' DG B 6 -7.023 5.492 9.788 1.00 0.00 C ATOM 414 C4' DG B 6 -5.870 5.229 8.801 1.00 0.00 C ATOM 415 O4' DG B 6 -5.146 4.005 8.951 1.00 0.00 O ATOM 416 C3' DG B 6 -6.208 5.343 7.305 1.00 0.00 C ATOM 417 O3' DG B 6 -5.840 6.625 6.824 1.00 0.00 O ATOM 418 C2' DG B 6 -5.463 4.157 6.709 1.00 0.00 C ATOM 419 C1' DG B 6 -4.413 3.822 7.743 1.00 0.00 C ATOM 420 N9 DG B 6 -3.803 2.493 7.482 1.00 0.00 N ATOM 421 C8 DG B 6 -4.386 1.287 7.164 1.00 0.00 C ATOM 422 N7 DG B 6 -3.544 0.316 6.963 1.00 0.00 N ATOM 423 C5 DG B 6 -2.306 0.924 7.104 1.00 0.00 C ATOM 424 C6 DG B 6 -1.000 0.370 6.981 1.00 0.00 C ATOM 425 O6 DG B 6 -0.700 -0.809 6.832 1.00 0.00 O ATOM 426 N1 DG B 6 -0.005 1.341 7.049 1.00 0.00 N ATOM 427 C2 DG B 6 -0.233 2.685 7.264 1.00 0.00 C ATOM 428 N2 DG B 6 0.830 3.495 7.272 1.00 0.00 N ATOM 429 N3 DG B 6 -1.460 3.196 7.440 1.00 0.00 N ATOM 430 C4 DG B 6 -2.452 2.268 7.345 1.00 0.00 C ATOM 0 H5' DG B 6 -6.827 4.947 10.712 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.036 6.552 10.040 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.240 6.063 9.111 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.264 5.288 7.041 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.132 3.314 6.533 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.011 4.411 5.750 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.513 4.436 7.757 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.455 1.158 7.088 1.00 0.00 H new ATOM 0 H1 DG B 6 0.962 1.038 6.932 1.00 0.00 H new ATOM 0 H21 DG B 6 0.708 4.496 7.427 1.00 0.00 H new ATOM 0 H22 DG B 6 1.764 3.112 7.123 1.00 0.00 H new ATOM 442 P DC B 7 -5.793 7.014 5.253 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.092 8.458 5.124 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.576 6.026 4.477 1.00 0.00 O ATOM 445 O5' DC B 7 -4.223 6.793 4.941 1.00 0.00 O ATOM 446 C5' DC B 7 -3.256 7.410 5.767 1.00 0.00 C ATOM 447 C4' DC B 7 -1.821 7.296 5.249 1.00 0.00 C ATOM 448 O4' DC B 7 -1.337 5.976 5.424 1.00 0.00 O ATOM 449 C3' DC B 7 -1.667 7.728 3.794 1.00 0.00 C ATOM 450 O3' DC B 7 -0.533 8.574 3.676 1.00 0.00 O ATOM 451 C2' DC B 7 -1.511 6.373 3.151 1.00 0.00 C ATOM 452 C1' DC B 7 -0.808 5.518 4.201 1.00 0.00 C ATOM 453 N1 DC B 7 -1.164 4.084 4.035 1.00 0.00 N ATOM 454 C2 DC B 7 -0.184 3.096 3.897 1.00 0.00 C ATOM 455 O2 DC B 7 1.012 3.375 3.845 1.00 0.00 O ATOM 456 N3 DC B 7 -0.589 1.791 3.819 1.00 0.00 N ATOM 457 C4 DC B 7 -1.891 1.462 3.877 1.00 0.00 C ATOM 458 N4 DC B 7 -2.246 0.177 3.821 1.00 0.00 N ATOM 459 C5 DC B 7 -2.904 2.463 4.037 1.00 0.00 C ATOM 460 C6 DC B 7 -2.486 3.740 4.112 1.00 0.00 C ATOM 0 H5' DC B 7 -3.307 6.966 6.761 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.508 8.465 5.876 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.223 7.988 5.842 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.470 8.315 3.349 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.479 5.950 2.881 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.924 6.436 2.235 1.00 0.00 H new ATOM 0 H1' DC B 7 0.277 5.598 4.132 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.232 -0.082 3.864 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.532 -0.546 3.735 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.951 2.205 4.095 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.221 4.522 4.238 1.00 0.00 H new ATOM 472 P DG B 8 -0.091 9.259 2.280 1.00 0.00 P ATOM 473 OP1 DG B 8 0.834 10.374 2.585 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.302 9.509 1.468 1.00 0.00 O ATOM 475 O5' DG B 8 0.755 8.085 1.575 1.00 0.00 O ATOM 476 C5' DG B 8 1.951 7.596 2.149 1.00 0.00 C ATOM 477 C4' DG B 8 2.517 6.444 1.315 1.00 0.00 C ATOM 478 O4' DG B 8 1.769 5.268 1.570 1.00 0.00 O ATOM 479 C3' DG B 8 2.485 6.694 -0.204 1.00 0.00 C ATOM 480 O3' DG B 8 3.722 6.361 -0.800 1.00 0.00 O ATOM 481 C2' DG B 8 1.408 5.717 -0.664 1.00 0.00 C ATOM 482 C1' DG B 8 1.618 4.594 0.342 1.00 0.00 C ATOM 483 N9 DG B 8 0.516 3.608 0.393 1.00 0.00 N ATOM 484 C8 DG B 8 -0.842 3.811 0.373 1.00 0.00 C ATOM 485 N7 DG B 8 -1.542 2.717 0.506 1.00 0.00 N ATOM 486 C5 DG B 8 -0.584 1.713 0.610 1.00 0.00 C ATOM 487 C6 DG B 8 -0.735 0.300 0.770 1.00 0.00 C ATOM 488 O6 DG B 8 -1.776 -0.345 0.866 1.00 0.00 O ATOM 489 N1 DG B 8 0.488 -0.367 0.815 1.00 0.00 N ATOM 490 C2 DG B 8 1.718 0.253 0.707 1.00 0.00 C ATOM 491 N2 DG B 8 2.801 -0.529 0.742 1.00 0.00 N ATOM 492 N3 DG B 8 1.862 1.580 0.574 1.00 0.00 N ATOM 493 C4 DG B 8 0.678 2.250 0.532 1.00 0.00 C ATOM 0 H5' DG B 8 1.760 7.256 3.167 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.685 8.400 2.214 1.00 0.00 H new ATOM 0 H4' DG B 8 3.561 6.347 1.612 1.00 0.00 H new ATOM 0 H3' DG B 8 2.295 7.734 -0.468 1.00 0.00 H new ATOM 0 H2' DG B 8 0.407 6.144 -0.608 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.557 5.388 -1.692 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.675 6.527 -1.765 1.00 0.00 H new ATOM 0 H1' DG B 8 2.479 3.984 0.070 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.290 4.787 0.258 1.00 0.00 H new ATOM 0 H1 DG B 8 0.474 -1.380 0.936 1.00 0.00 H new ATOM 0 H21 DG B 8 3.731 -0.116 0.666 1.00 0.00 H new ATOM 0 H22 DG B 8 2.698 -1.539 0.845 1.00 0.00 H new TER 506 DG B 8