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 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.62! (180deg=-1.62!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 36:sc= 0.00774 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.65! (180deg=-1.65!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.497 -9.665 -0.723 1.00 0.00 O ATOM 2 C5' DC A 1 3.776 -9.127 -0.988 1.00 0.00 C ATOM 3 C4' DC A 1 4.116 -8.013 0.008 1.00 0.00 C ATOM 4 O4' DC A 1 3.167 -6.970 -0.050 1.00 0.00 O ATOM 5 C3' DC A 1 4.231 -8.479 1.463 1.00 0.00 C ATOM 6 O3' DC A 1 5.626 -8.641 1.690 1.00 0.00 O ATOM 7 C2' DC A 1 3.554 -7.308 2.228 1.00 0.00 C ATOM 8 C1' DC A 1 3.285 -6.245 1.153 1.00 0.00 C ATOM 9 N1 DC A 1 2.069 -5.430 1.396 1.00 0.00 N ATOM 10 C2 DC A 1 2.124 -4.034 1.427 1.00 0.00 C ATOM 11 O2 DC A 1 3.190 -3.431 1.324 1.00 0.00 O ATOM 12 N3 DC A 1 0.954 -3.342 1.575 1.00 0.00 N ATOM 13 C4 DC A 1 -0.222 -3.982 1.692 1.00 0.00 C ATOM 14 N4 DC A 1 -1.340 -3.264 1.846 1.00 0.00 N ATOM 15 C5 DC A 1 -0.299 -5.414 1.598 1.00 0.00 C ATOM 16 C6 DC A 1 0.871 -6.073 1.444 1.00 0.00 C ATOM 0 H5' DC A 1 3.806 -8.734 -2.004 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.526 -9.915 -0.929 1.00 0.00 H new ATOM 0 H4' DC A 1 5.100 -7.662 -0.303 1.00 0.00 H new ATOM 0 H3' DC A 1 3.764 -9.418 1.759 1.00 0.00 H new ATOM 0 H2' DC A 1 2.629 -7.630 2.707 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.202 -6.921 3.014 1.00 0.00 H new ATOM 0 HO5' DC A 1 2.299 -10.373 -1.371 1.00 0.00 H new ATOM 0 H1' DC A 1 4.094 -5.515 1.142 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.240 -3.735 1.936 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.292 -2.245 1.873 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.243 -5.937 1.648 1.00 0.00 H new ATOM 0 H6 DC A 1 0.854 -7.149 1.356 1.00 0.00 H new ATOM 29 P DG A 2 6.328 -8.603 3.139 1.00 0.00 P ATOM 30 OP1 DG A 2 7.688 -9.170 3.002 1.00 0.00 O ATOM 31 OP2 DG A 2 5.390 -9.169 4.133 1.00 0.00 O ATOM 32 O5' DG A 2 6.472 -7.017 3.415 1.00 0.00 O ATOM 33 C5' DG A 2 7.064 -6.136 2.474 1.00 0.00 C ATOM 34 C4' DG A 2 7.191 -4.727 3.038 1.00 0.00 C ATOM 35 O4' DG A 2 5.927 -4.092 2.924 1.00 0.00 O ATOM 36 C3' DG A 2 7.634 -4.694 4.508 1.00 0.00 C ATOM 37 O3' DG A 2 8.610 -3.680 4.629 1.00 0.00 O ATOM 38 C2' DG A 2 6.284 -4.422 5.159 1.00 0.00 C ATOM 39 C1' DG A 2 5.664 -3.467 4.151 1.00 0.00 C ATOM 40 N9 DG A 2 4.212 -3.289 4.370 1.00 0.00 N ATOM 41 C8 DG A 2 3.309 -4.246 4.746 1.00 0.00 C ATOM 42 N7 DG A 2 2.071 -3.847 4.765 1.00 0.00 N ATOM 43 C5 DG A 2 2.157 -2.509 4.401 1.00 0.00 C ATOM 44 C6 DG A 2 1.120 -1.545 4.238 1.00 0.00 C ATOM 45 O6 DG A 2 -0.091 -1.735 4.284 1.00 0.00 O ATOM 46 N1 DG A 2 1.613 -0.266 4.000 1.00 0.00 N ATOM 47 C2 DG A 2 2.953 0.031 3.836 1.00 0.00 C ATOM 48 N2 DG A 2 3.266 1.312 3.612 1.00 0.00 N ATOM 49 N3 DG A 2 3.926 -0.896 3.892 1.00 0.00 N ATOM 50 C4 DG A 2 3.466 -2.143 4.192 1.00 0.00 C ATOM 0 H5' DG A 2 6.462 -6.113 1.565 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.050 -6.508 2.194 1.00 0.00 H new ATOM 0 H4' DG A 2 7.964 -4.213 2.467 1.00 0.00 H new ATOM 0 H3' DG A 2 8.116 -5.566 4.951 1.00 0.00 H new ATOM 0 H2' DG A 2 5.695 -5.331 5.283 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.385 -3.971 6.146 1.00 0.00 H new ATOM 0 H1' DG A 2 6.073 -2.459 4.219 1.00 0.00 H new ATOM 0 H8 DG A 2 3.601 -5.253 5.006 1.00 0.00 H new ATOM 0 H1 DG A 2 0.943 0.501 3.943 1.00 0.00 H new ATOM 0 H21 DG A 2 4.241 1.584 3.484 1.00 0.00 H new ATOM 0 H22 DG A 2 2.530 2.017 3.569 1.00 0.00 H new ATOM 62 P DC A 3 9.116 -3.109 6.041 1.00 0.00 P ATOM 63 OP1 DC A 3 10.558 -2.794 5.933 1.00 0.00 O ATOM 64 OP2 DC A 3 8.628 -3.980 7.134 1.00 0.00 O ATOM 65 O5' DC A 3 8.284 -1.734 6.058 1.00 0.00 O ATOM 66 C5' DC A 3 8.571 -0.706 5.126 1.00 0.00 C ATOM 67 C4' DC A 3 7.823 0.571 5.498 1.00 0.00 C ATOM 68 O4' DC A 3 6.429 0.369 5.376 1.00 0.00 O ATOM 69 C3' DC A 3 8.135 1.015 6.934 1.00 0.00 C ATOM 70 O3' DC A 3 8.671 2.326 6.867 1.00 0.00 O ATOM 71 C2' DC A 3 6.793 0.891 7.635 1.00 0.00 C ATOM 72 C1' DC A 3 5.783 0.933 6.499 1.00 0.00 C ATOM 73 N1 DC A 3 4.619 0.085 6.857 1.00 0.00 N ATOM 74 C2 DC A 3 3.354 0.651 7.017 1.00 0.00 C ATOM 75 O2 DC A 3 3.162 1.855 6.869 1.00 0.00 O ATOM 76 N3 DC A 3 2.319 -0.174 7.346 1.00 0.00 N ATOM 77 C4 DC A 3 2.502 -1.488 7.545 1.00 0.00 C ATOM 78 N4 DC A 3 1.447 -2.261 7.814 1.00 0.00 N ATOM 79 C5 DC A 3 3.804 -2.074 7.434 1.00 0.00 C ATOM 80 C6 DC A 3 4.812 -1.258 7.068 1.00 0.00 C ATOM 0 H5' DC A 3 8.284 -1.024 4.124 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.644 -0.514 5.105 1.00 0.00 H new ATOM 0 H4' DC A 3 8.154 1.352 4.813 1.00 0.00 H new ATOM 0 H3' DC A 3 8.878 0.434 7.481 1.00 0.00 H new ATOM 0 H2' DC A 3 6.721 -0.039 8.199 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.634 1.706 8.341 1.00 0.00 H new ATOM 0 H1' DC A 3 5.440 1.949 6.302 1.00 0.00 H new ATOM 0 H41 DC A 3 1.574 -3.261 7.967 1.00 0.00 H new ATOM 0 H42 DC A 3 0.515 -1.851 7.866 1.00 0.00 H new ATOM 0 H5 DC A 3 3.970 -3.122 7.634 1.00 0.00 H new ATOM 0 H6 DC A 3 5.801 -1.672 6.937 1.00 0.00 H new ATOM 92 P DT A 4 9.040 3.195 8.170 1.00 0.00 P ATOM 93 OP1 DT A 4 9.913 4.314 7.749 1.00 0.00 O ATOM 94 OP2 DT A 4 9.481 2.278 9.245 1.00 0.00 O ATOM 95 O5' DT A 4 7.604 3.799 8.574 1.00 0.00 O ATOM 96 C5' DT A 4 6.842 4.575 7.668 1.00 0.00 C ATOM 97 C4' DT A 4 5.568 5.071 8.359 1.00 0.00 C ATOM 98 O4' DT A 4 4.677 3.985 8.548 1.00 0.00 O ATOM 99 C3' DT A 4 5.840 5.716 9.724 1.00 0.00 C ATOM 100 O3' DT A 4 5.387 7.058 9.730 1.00 0.00 O ATOM 101 C2' DT A 4 5.095 4.796 10.694 1.00 0.00 C ATOM 102 C1' DT A 4 4.055 4.111 9.810 1.00 0.00 C ATOM 103 N1 DT A 4 3.632 2.756 10.276 1.00 0.00 N ATOM 104 C2 DT A 4 2.268 2.466 10.322 1.00 0.00 C ATOM 105 O2 DT A 4 1.390 3.323 10.254 1.00 0.00 O ATOM 106 N3 DT A 4 1.928 1.127 10.453 1.00 0.00 N ATOM 107 C4 DT A 4 2.806 0.058 10.545 1.00 0.00 C ATOM 108 O4 DT A 4 2.365 -1.087 10.642 1.00 0.00 O ATOM 109 C5 DT A 4 4.209 0.437 10.513 1.00 0.00 C ATOM 110 C7 DT A 4 5.291 -0.636 10.527 1.00 0.00 C ATOM 111 C6 DT A 4 4.561 1.744 10.396 1.00 0.00 C ATOM 0 H5' DT A 4 6.584 3.980 6.792 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.430 5.423 7.316 1.00 0.00 H new ATOM 0 H4' DT A 4 5.136 5.832 7.709 1.00 0.00 H new ATOM 0 H3' DT A 4 6.893 5.795 9.994 1.00 0.00 H new ATOM 0 H2' DT A 4 5.767 4.073 11.157 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.627 5.359 11.501 1.00 0.00 H new ATOM 0 H1' DT A 4 3.142 4.707 9.813 1.00 0.00 H new ATOM 0 H3 DT A 4 0.932 0.907 10.485 1.00 0.00 H new ATOM 0 H71 DT A 4 6.168 -0.275 9.989 1.00 0.00 H new ATOM 0 H72 DT A 4 5.565 -0.863 11.557 1.00 0.00 H new ATOM 0 H73 DT A 4 4.915 -1.538 10.044 1.00 0.00 H new ATOM 0 H6 DT A 4 5.610 2.001 10.397 1.00 0.00 H new ATOM 124 P DA A 5 5.509 8.008 11.033 1.00 0.00 P ATOM 125 OP1 DA A 5 5.636 9.411 10.579 1.00 0.00 O ATOM 126 OP2 DA A 5 6.516 7.436 11.955 1.00 0.00 O ATOM 127 O5' DA A 5 4.051 7.815 11.687 1.00 0.00 O ATOM 128 C5' DA A 5 2.906 8.285 11.007 1.00 0.00 C ATOM 129 C4' DA A 5 1.620 7.880 11.705 1.00 0.00 C ATOM 130 O4' DA A 5 1.509 6.478 11.793 1.00 0.00 O ATOM 131 C3' DA A 5 1.493 8.475 13.112 1.00 0.00 C ATOM 132 O3' DA A 5 0.382 9.347 13.058 1.00 0.00 O ATOM 133 C2' DA A 5 1.428 7.238 13.997 1.00 0.00 C ATOM 134 C1' DA A 5 0.933 6.166 13.042 1.00 0.00 C ATOM 135 N9 DA A 5 1.362 4.794 13.384 1.00 0.00 N ATOM 136 C8 DA A 5 2.633 4.307 13.567 1.00 0.00 C ATOM 137 N7 DA A 5 2.704 3.006 13.653 1.00 0.00 N ATOM 138 C5 DA A 5 1.380 2.598 13.524 1.00 0.00 C ATOM 139 C6 DA A 5 0.749 1.335 13.516 1.00 0.00 C ATOM 140 N6 DA A 5 1.416 0.178 13.613 1.00 0.00 N ATOM 141 N1 DA A 5 -0.592 1.296 13.396 1.00 0.00 N ATOM 142 C2 DA A 5 -1.265 2.436 13.255 1.00 0.00 C ATOM 143 N3 DA A 5 -0.789 3.672 13.198 1.00 0.00 N ATOM 144 C4 DA A 5 0.559 3.684 13.353 1.00 0.00 C ATOM 0 H5' DA A 5 2.904 7.895 9.989 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.950 9.371 10.932 1.00 0.00 H new ATOM 0 H4' DA A 5 0.813 8.280 11.092 1.00 0.00 H new ATOM 0 H3' DA A 5 2.291 9.100 13.513 1.00 0.00 H new ATOM 0 H2' DA A 5 2.403 6.988 14.415 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.747 7.377 14.837 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.157 6.167 13.069 1.00 0.00 H new ATOM 0 H8 DA A 5 3.501 4.946 13.634 1.00 0.00 H new ATOM 0 H61 DA A 5 0.908 -0.706 13.602 1.00 0.00 H new ATOM 0 H62 DA A 5 2.432 0.181 13.698 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.338 2.342 13.177 1.00 0.00 H new ATOM 156 P DG A 6 -0.177 10.136 14.333 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.917 11.332 13.874 1.00 0.00 O ATOM 158 OP2 DG A 6 0.894 10.259 15.347 1.00 0.00 O ATOM 159 O5' DG A 6 -1.224 9.032 14.812 1.00 0.00 O ATOM 160 C5' DG A 6 -2.349 8.690 14.025 1.00 0.00 C ATOM 161 C4' DG A 6 -3.067 7.522 14.695 1.00 0.00 C ATOM 162 O4' DG A 6 -2.306 6.319 14.549 1.00 0.00 O ATOM 163 C3' DG A 6 -3.225 7.809 16.199 1.00 0.00 C ATOM 164 O3' DG A 6 -4.558 7.651 16.636 1.00 0.00 O ATOM 165 C2' DG A 6 -2.258 6.781 16.754 1.00 0.00 C ATOM 166 C1' DG A 6 -2.388 5.636 15.780 1.00 0.00 C ATOM 167 N9 DG A 6 -1.356 4.611 16.066 1.00 0.00 N ATOM 168 C8 DG A 6 -0.019 4.765 16.353 1.00 0.00 C ATOM 169 N7 DG A 6 0.611 3.654 16.602 1.00 0.00 N ATOM 170 C5 DG A 6 -0.382 2.690 16.515 1.00 0.00 C ATOM 171 C6 DG A 6 -0.300 1.281 16.698 1.00 0.00 C ATOM 172 O6 DG A 6 0.709 0.610 16.888 1.00 0.00 O ATOM 173 N1 DG A 6 -1.547 0.667 16.640 1.00 0.00 N ATOM 174 C2 DG A 6 -2.736 1.324 16.393 1.00 0.00 C ATOM 175 N2 DG A 6 -3.854 0.590 16.411 1.00 0.00 N ATOM 176 N3 DG A 6 -2.808 2.645 16.173 1.00 0.00 N ATOM 177 C4 DG A 6 -1.600 3.270 16.249 1.00 0.00 C ATOM 0 H5' DG A 6 -2.038 8.416 13.017 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.020 9.544 13.931 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.042 7.402 14.223 1.00 0.00 H new ATOM 0 H3' DG A 6 -3.012 8.830 16.514 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.239 7.165 16.793 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.524 6.481 17.768 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.299 5.038 15.817 1.00 0.00 H new ATOM 0 H8 DG A 6 0.468 5.729 16.370 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.586 -0.341 16.791 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.757 1.031 16.234 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.804 -0.411 16.602 1.00 0.00 H new ATOM 189 P DC A 7 -4.987 7.834 18.189 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.279 8.554 18.233 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.835 8.339 18.969 1.00 0.00 O ATOM 192 O5' DC A 7 -5.245 6.295 18.592 1.00 0.00 O ATOM 193 C5' DC A 7 -6.148 5.539 17.818 1.00 0.00 C ATOM 194 C4' DC A 7 -6.472 4.152 18.362 1.00 0.00 C ATOM 195 O4' DC A 7 -5.372 3.289 18.164 1.00 0.00 O ATOM 196 C3' DC A 7 -6.881 4.153 19.835 1.00 0.00 C ATOM 197 O3' DC A 7 -8.067 3.387 19.975 1.00 0.00 O ATOM 198 C2' DC A 7 -5.651 3.538 20.470 1.00 0.00 C ATOM 199 C1' DC A 7 -5.069 2.648 19.379 1.00 0.00 C ATOM 200 N1 DC A 7 -3.591 2.583 19.511 1.00 0.00 N ATOM 201 C2 DC A 7 -2.947 1.369 19.770 1.00 0.00 C ATOM 202 O2 DC A 7 -3.575 0.320 19.893 1.00 0.00 O ATOM 203 N3 DC A 7 -1.586 1.371 19.885 1.00 0.00 N ATOM 204 C4 DC A 7 -0.880 2.508 19.767 1.00 0.00 C ATOM 205 N4 DC A 7 0.452 2.460 19.847 1.00 0.00 N ATOM 206 C5 DC A 7 -1.525 3.756 19.485 1.00 0.00 C ATOM 207 C6 DC A 7 -2.864 3.738 19.353 1.00 0.00 C ATOM 0 H5' DC A 7 -5.738 5.430 16.814 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.078 6.100 17.723 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.337 3.794 17.804 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.128 5.113 20.287 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.939 4.303 20.781 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.908 2.961 21.359 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.473 1.637 19.439 1.00 0.00 H new ATOM 0 H41 DC A 7 0.999 3.316 19.759 1.00 0.00 H new ATOM 0 H42 DC A 7 0.922 1.567 19.996 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.961 4.671 19.383 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.381 4.656 19.116 1.00 0.00 H new ATOM 219 P DG A 8 -8.857 3.244 21.376 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.200 2.691 21.096 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.725 4.511 22.129 1.00 0.00 O ATOM 222 O5' DG A 8 -7.998 2.115 22.133 1.00 0.00 O ATOM 223 C5' DG A 8 -7.871 0.812 21.601 1.00 0.00 C ATOM 224 C4' DG A 8 -6.950 -0.044 22.476 1.00 0.00 C ATOM 225 O4' DG A 8 -5.598 0.255 22.170 1.00 0.00 O ATOM 226 C3' DG A 8 -7.133 0.164 23.991 1.00 0.00 C ATOM 227 O3' DG A 8 -7.248 -1.075 24.662 1.00 0.00 O ATOM 228 C2' DG A 8 -5.834 0.854 24.388 1.00 0.00 C ATOM 229 C1' DG A 8 -4.878 0.232 23.380 1.00 0.00 C ATOM 230 N9 DG A 8 -3.588 0.943 23.267 1.00 0.00 N ATOM 231 C8 DG A 8 -3.332 2.292 23.221 1.00 0.00 C ATOM 232 N7 DG A 8 -2.068 2.584 23.078 1.00 0.00 N ATOM 233 C5 DG A 8 -1.436 1.344 23.028 1.00 0.00 C ATOM 234 C6 DG A 8 -0.054 1.010 22.874 1.00 0.00 C ATOM 235 O6 DG A 8 0.902 1.772 22.750 1.00 0.00 O ATOM 236 N1 DG A 8 0.167 -0.367 22.872 1.00 0.00 N ATOM 237 C2 DG A 8 -0.827 -1.315 23.015 1.00 0.00 C ATOM 238 N2 DG A 8 -0.455 -2.599 23.008 1.00 0.00 N ATOM 239 N3 DG A 8 -2.125 -1.004 23.147 1.00 0.00 N ATOM 240 C4 DG A 8 -2.361 0.336 23.144 1.00 0.00 C ATOM 0 H5' DG A 8 -7.472 0.865 20.588 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.853 0.345 21.533 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.216 -1.077 22.251 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.031 0.728 24.242 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.893 1.938 24.291 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.548 0.641 25.418 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.362 -0.917 25.623 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.583 -0.773 23.683 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.106 3.042 23.296 1.00 0.00 H new ATOM 0 H1 DG A 8 1.126 -0.696 22.757 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.155 -3.333 23.111 1.00 0.00 H new ATOM 0 H22 DG A 8 0.529 -2.844 22.900 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 8.180 -5.612 24.414 1.00 0.00 O ATOM 255 C5' DC B 1 7.286 -6.706 24.427 1.00 0.00 C ATOM 256 C4' DC B 1 6.146 -6.512 23.421 1.00 0.00 C ATOM 257 O4' DC B 1 5.469 -5.284 23.652 1.00 0.00 O ATOM 258 C3' DC B 1 6.610 -6.439 21.957 1.00 0.00 C ATOM 259 O3' DC B 1 6.803 -7.654 21.234 1.00 0.00 O ATOM 260 C2' DC B 1 5.574 -5.488 21.312 1.00 0.00 C ATOM 261 C1' DC B 1 4.714 -4.994 22.489 1.00 0.00 C ATOM 262 N1 DC B 1 4.320 -3.561 22.377 1.00 0.00 N ATOM 263 C2 DC B 1 2.975 -3.171 22.373 1.00 0.00 C ATOM 264 O2 DC B 1 2.065 -3.989 22.486 1.00 0.00 O ATOM 265 N3 DC B 1 2.683 -1.842 22.239 1.00 0.00 N ATOM 266 C4 DC B 1 3.657 -0.926 22.106 1.00 0.00 C ATOM 267 N4 DC B 1 3.329 0.361 21.951 1.00 0.00 N ATOM 268 C5 DC B 1 5.041 -1.304 22.152 1.00 0.00 C ATOM 269 C6 DC B 1 5.303 -2.624 22.292 1.00 0.00 C ATOM 0 H5' DC B 1 6.872 -6.827 25.428 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.827 -7.622 24.193 1.00 0.00 H new ATOM 0 H4' DC B 1 5.512 -7.386 23.569 1.00 0.00 H new ATOM 0 H3' DC B 1 7.641 -6.088 21.922 1.00 0.00 H new ATOM 0 H2' DC B 1 6.062 -4.658 20.802 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.968 -6.007 20.569 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.681 -4.784 24.256 1.00 0.00 H new ATOM 0 H1' DC B 1 3.750 -5.502 22.511 1.00 0.00 H new ATOM 0 H41 DC B 1 4.060 1.065 21.849 1.00 0.00 H new ATOM 0 H42 DC B 1 2.348 0.639 21.935 1.00 0.00 H new ATOM 0 H5 DC B 1 5.832 -0.573 22.079 1.00 0.00 H new ATOM 0 H6 DC B 1 6.333 -2.947 22.338 1.00 0.00 H new ATOM 282 P DG B 2 5.768 -8.907 21.158 1.00 0.00 P ATOM 283 OP1 DG B 2 5.620 -9.474 22.517 1.00 0.00 O ATOM 284 OP2 DG B 2 6.243 -9.786 20.068 1.00 0.00 O ATOM 285 O5' DG B 2 4.339 -8.308 20.688 1.00 0.00 O ATOM 286 C5' DG B 2 3.179 -8.469 21.481 1.00 0.00 C ATOM 287 C4' DG B 2 1.902 -8.029 20.782 1.00 0.00 C ATOM 288 O4' DG B 2 1.807 -6.616 20.834 1.00 0.00 O ATOM 289 C3' DG B 2 1.783 -8.479 19.317 1.00 0.00 C ATOM 290 O3' DG B 2 0.500 -9.055 19.181 1.00 0.00 O ATOM 291 C2' DG B 2 2.015 -7.133 18.632 1.00 0.00 C ATOM 292 C1' DG B 2 1.294 -6.204 19.596 1.00 0.00 C ATOM 293 N9 DG B 2 1.585 -4.776 19.339 1.00 0.00 N ATOM 294 C8 DG B 2 2.767 -4.219 18.922 1.00 0.00 C ATOM 295 N7 DG B 2 2.781 -2.918 18.928 1.00 0.00 N ATOM 296 C5 DG B 2 1.498 -2.579 19.338 1.00 0.00 C ATOM 297 C6 DG B 2 0.913 -1.293 19.535 1.00 0.00 C ATOM 298 O6 DG B 2 1.473 -0.202 19.508 1.00 0.00 O ATOM 299 N1 DG B 2 -0.454 -1.364 19.785 1.00 0.00 N ATOM 300 C2 DG B 2 -1.156 -2.545 19.943 1.00 0.00 C ATOM 301 N2 DG B 2 -2.468 -2.444 20.179 1.00 0.00 N ATOM 302 N3 DG B 2 -0.582 -3.758 19.865 1.00 0.00 N ATOM 303 C4 DG B 2 0.740 -3.708 19.543 1.00 0.00 C ATOM 0 H5' DG B 2 3.295 -7.897 22.402 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.086 -9.517 21.766 1.00 0.00 H new ATOM 0 H4' DG B 2 1.087 -8.516 21.318 1.00 0.00 H new ATOM 0 H3' DG B 2 2.454 -9.237 18.913 1.00 0.00 H new ATOM 0 H2' DG B 2 3.074 -6.893 18.538 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.591 -7.100 17.629 1.00 0.00 H new ATOM 0 H1' DG B 2 0.209 -6.267 19.517 1.00 0.00 H new ATOM 0 H8 DG B 2 3.616 -4.811 18.614 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.972 -0.488 19.856 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.030 -3.286 20.303 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.907 -1.525 20.235 1.00 0.00 H new ATOM 315 P DC B 3 -0.195 -9.360 17.768 1.00 0.00 P ATOM 316 OP1 DC B 3 -0.956 -10.624 17.879 1.00 0.00 O ATOM 317 OP2 DC B 3 0.786 -9.176 16.676 1.00 0.00 O ATOM 318 O5' DC B 3 -1.232 -8.132 17.754 1.00 0.00 O ATOM 319 C5' DC B 3 -2.286 -8.064 18.698 1.00 0.00 C ATOM 320 C4' DC B 3 -3.238 -6.930 18.325 1.00 0.00 C ATOM 321 O4' DC B 3 -2.573 -5.687 18.404 1.00 0.00 O ATOM 322 C3' DC B 3 -3.820 -7.095 16.912 1.00 0.00 C ATOM 323 O3' DC B 3 -5.235 -7.113 17.007 1.00 0.00 O ATOM 324 C2' DC B 3 -3.251 -5.900 16.170 1.00 0.00 C ATOM 325 C1' DC B 3 -2.920 -4.911 17.278 1.00 0.00 C ATOM 326 N1 DC B 3 -1.737 -4.111 16.880 1.00 0.00 N ATOM 327 C2 DC B 3 -1.828 -2.728 16.745 1.00 0.00 C ATOM 328 O2 DC B 3 -2.885 -2.128 16.930 1.00 0.00 O ATOM 329 N3 DC B 3 -0.701 -2.043 16.401 1.00 0.00 N ATOM 330 C4 DC B 3 0.461 -2.669 16.165 1.00 0.00 C ATOM 331 N4 DC B 3 1.546 -1.941 15.889 1.00 0.00 N ATOM 332 C5 DC B 3 0.556 -4.096 16.244 1.00 0.00 C ATOM 333 C6 DC B 3 -0.554 -4.758 16.627 1.00 0.00 C ATOM 0 H5' DC B 3 -1.882 -7.899 19.697 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.825 -9.011 18.724 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.062 -6.965 19.038 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.565 -8.018 16.392 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.364 -6.170 15.596 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.972 -5.486 15.466 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.757 -4.242 17.479 1.00 0.00 H new ATOM 0 H41 DC B 3 2.437 -2.403 15.707 1.00 0.00 H new ATOM 0 H42 DC B 3 1.483 -0.923 15.860 1.00 0.00 H new ATOM 0 H5 DC B 3 1.473 -4.616 16.008 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.511 -5.831 16.738 1.00 0.00 H new ATOM 345 P DT B 4 -6.202 -7.199 15.718 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.554 -7.583 16.182 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.527 -7.999 14.672 1.00 0.00 O ATOM 348 O5' DT B 4 -6.256 -5.665 15.226 1.00 0.00 O ATOM 349 C5' DT B 4 -6.695 -4.630 16.086 1.00 0.00 C ATOM 350 C4' DT B 4 -6.695 -3.278 15.370 1.00 0.00 C ATOM 351 O4' DT B 4 -5.361 -2.835 15.200 1.00 0.00 O ATOM 352 C3' DT B 4 -7.378 -3.322 14.000 1.00 0.00 C ATOM 353 O3' DT B 4 -8.485 -2.440 13.964 1.00 0.00 O ATOM 354 C2' DT B 4 -6.246 -2.939 13.045 1.00 0.00 C ATOM 355 C1' DT B 4 -5.237 -2.221 13.935 1.00 0.00 C ATOM 356 N1 DT B 4 -3.823 -2.347 13.481 1.00 0.00 N ATOM 357 C2 DT B 4 -3.047 -1.192 13.397 1.00 0.00 C ATOM 358 O2 DT B 4 -3.515 -0.058 13.446 1.00 0.00 O ATOM 359 N3 DT B 4 -1.681 -1.380 13.249 1.00 0.00 N ATOM 360 C4 DT B 4 -1.020 -2.597 13.172 1.00 0.00 C ATOM 361 O4 DT B 4 0.203 -2.620 13.052 1.00 0.00 O ATOM 362 C5 DT B 4 -1.894 -3.756 13.246 1.00 0.00 C ATOM 363 C7 DT B 4 -1.301 -5.160 13.230 1.00 0.00 C ATOM 364 C6 DT B 4 -3.235 -3.590 13.384 1.00 0.00 C ATOM 0 H5' DT B 4 -6.047 -4.581 16.961 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.699 -4.854 16.446 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.264 -2.591 15.996 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.811 -4.288 13.738 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.807 -3.818 12.574 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.602 -2.292 12.243 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.452 -1.152 13.926 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.105 -0.540 13.191 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.944 -5.833 13.797 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.225 -5.511 12.201 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.309 -5.141 13.681 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.865 -4.466 13.419 1.00 0.00 H new ATOM 377 P DA B 5 -9.356 -2.208 12.622 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.716 -1.773 13.015 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.182 -3.373 11.726 1.00 0.00 O ATOM 380 O5' DA B 5 -8.582 -0.949 11.979 1.00 0.00 O ATOM 381 C5' DA B 5 -8.603 0.300 12.634 1.00 0.00 C ATOM 382 C4' DA B 5 -7.775 1.374 11.939 1.00 0.00 C ATOM 383 O4' DA B 5 -6.413 0.990 11.881 1.00 0.00 O ATOM 384 C3' DA B 5 -8.256 1.620 10.507 1.00 0.00 C ATOM 385 O3' DA B 5 -8.156 3.000 10.247 1.00 0.00 O ATOM 386 C2' DA B 5 -7.252 0.809 9.714 1.00 0.00 C ATOM 387 C1' DA B 5 -6.000 1.091 10.535 1.00 0.00 C ATOM 388 N9 DA B 5 -4.898 0.149 10.276 1.00 0.00 N ATOM 389 C8 DA B 5 -4.944 -1.202 10.068 1.00 0.00 C ATOM 390 N7 DA B 5 -3.770 -1.774 9.999 1.00 0.00 N ATOM 391 C5 DA B 5 -2.878 -0.712 10.142 1.00 0.00 C ATOM 392 C6 DA B 5 -1.468 -0.607 10.150 1.00 0.00 C ATOM 393 N6 DA B 5 -0.641 -1.656 10.061 1.00 0.00 N ATOM 394 N1 DA B 5 -0.922 0.619 10.255 1.00 0.00 N ATOM 395 C2 DA B 5 -1.720 1.677 10.377 1.00 0.00 C ATOM 396 N3 DA B 5 -3.042 1.709 10.434 1.00 0.00 N ATOM 397 C4 DA B 5 -3.567 0.465 10.301 1.00 0.00 C ATOM 0 H5' DA B 5 -8.234 0.172 13.652 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.635 0.643 12.710 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.892 2.287 12.522 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.286 1.341 10.284 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.502 -0.251 9.681 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.162 1.147 8.682 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.600 2.071 10.274 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.870 -1.749 9.969 1.00 0.00 H new ATOM 0 H61 DA B 5 0.369 -1.512 10.073 1.00 0.00 H new ATOM 0 H62 DA B 5 -1.021 -2.599 9.982 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.224 2.635 10.437 1.00 0.00 H new ATOM 409 P DG B 6 -8.924 3.692 9.020 1.00 0.00 P ATOM 410 OP1 DG B 6 -10.376 3.648 9.303 1.00 0.00 O ATOM 411 OP2 DG B 6 -8.409 3.134 7.752 1.00 0.00 O ATOM 412 O5' DG B 6 -8.436 5.220 9.164 1.00 0.00 O ATOM 413 C5' DG B 6 -7.160 5.584 9.670 1.00 0.00 C ATOM 414 C4' DG B 6 -5.954 5.330 8.748 1.00 0.00 C ATOM 415 O4' DG B 6 -5.220 4.118 8.955 1.00 0.00 O ATOM 416 C3' DG B 6 -6.229 5.425 7.240 1.00 0.00 C ATOM 417 O3' DG B 6 -5.801 6.679 6.741 1.00 0.00 O ATOM 418 C2' DG B 6 -5.481 4.207 6.720 1.00 0.00 C ATOM 419 C1' DG B 6 -4.445 3.915 7.778 1.00 0.00 C ATOM 420 N9 DG B 6 -3.831 2.581 7.549 1.00 0.00 N ATOM 421 C8 DG B 6 -4.420 1.369 7.267 1.00 0.00 C ATOM 422 N7 DG B 6 -3.583 0.397 7.054 1.00 0.00 N ATOM 423 C5 DG B 6 -2.342 1.006 7.156 1.00 0.00 C ATOM 424 C6 DG B 6 -1.040 0.449 7.006 1.00 0.00 C ATOM 425 O6 DG B 6 -0.747 -0.730 6.846 1.00 0.00 O ATOM 426 N1 DG B 6 -0.040 1.415 7.058 1.00 0.00 N ATOM 427 C2 DG B 6 -0.262 2.762 7.264 1.00 0.00 C ATOM 428 N2 DG B 6 0.805 3.567 7.250 1.00 0.00 N ATOM 429 N3 DG B 6 -1.485 3.280 7.453 1.00 0.00 N ATOM 430 C4 DG B 6 -2.482 2.353 7.388 1.00 0.00 C ATOM 0 H5' DG B 6 -6.996 5.043 10.602 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.182 6.645 9.917 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.342 6.172 9.072 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.274 5.400 6.931 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.153 3.360 6.579 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.016 4.410 5.755 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.547 4.532 7.809 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.491 1.236 7.226 1.00 0.00 H new ATOM 0 H1 DG B 6 0.924 1.106 6.935 1.00 0.00 H new ATOM 0 H21 DG B 6 0.689 4.570 7.398 1.00 0.00 H new ATOM 0 H22 DG B 6 1.735 3.179 7.092 1.00 0.00 H new ATOM 442 P DC B 7 -5.751 7.033 5.164 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.018 8.480 5.003 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.554 6.046 4.408 1.00 0.00 O ATOM 445 O5' DC B 7 -4.189 6.769 4.862 1.00 0.00 O ATOM 446 C5' DC B 7 -3.212 7.396 5.668 1.00 0.00 C ATOM 447 C4' DC B 7 -1.786 7.252 5.141 1.00 0.00 C ATOM 448 O4' DC B 7 -1.315 5.932 5.336 1.00 0.00 O ATOM 449 C3' DC B 7 -1.650 7.654 3.676 1.00 0.00 C ATOM 450 O3' DC B 7 -0.519 8.500 3.533 1.00 0.00 O ATOM 451 C2' DC B 7 -1.500 6.286 3.054 1.00 0.00 C ATOM 452 C1' DC B 7 -0.801 5.447 4.118 1.00 0.00 C ATOM 453 N1 DC B 7 -1.172 4.013 3.989 1.00 0.00 N ATOM 454 C2 DC B 7 -0.199 3.018 3.857 1.00 0.00 C ATOM 455 O2 DC B 7 0.996 3.291 3.769 1.00 0.00 O ATOM 456 N3 DC B 7 -0.610 1.713 3.828 1.00 0.00 N ATOM 457 C4 DC B 7 -1.911 1.391 3.928 1.00 0.00 C ATOM 458 N4 DC B 7 -2.270 0.105 3.924 1.00 0.00 N ATOM 459 C5 DC B 7 -2.917 2.399 4.088 1.00 0.00 C ATOM 460 C6 DC B 7 -2.494 3.677 4.114 1.00 0.00 C ATOM 0 H5' DC B 7 -3.261 6.977 6.673 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.452 8.456 5.753 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.170 7.944 5.716 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.459 8.229 3.227 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.469 5.863 2.791 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.912 6.331 2.137 1.00 0.00 H new ATOM 0 H1' DC B 7 0.284 5.518 4.037 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.255 -0.150 3.999 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.559 -0.623 3.846 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.963 2.146 4.183 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.222 4.465 4.238 1.00 0.00 H new ATOM 472 P DG B 8 -0.106 9.179 2.127 1.00 0.00 P ATOM 473 OP1 DG B 8 0.837 10.285 2.406 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.334 9.438 1.343 1.00 0.00 O ATOM 475 O5' DG B 8 0.710 7.994 1.407 1.00 0.00 O ATOM 476 C5' DG B 8 1.912 7.493 1.959 1.00 0.00 C ATOM 477 C4' DG B 8 2.450 6.335 1.112 1.00 0.00 C ATOM 478 O4' DG B 8 1.723 5.158 1.419 1.00 0.00 O ATOM 479 C3' DG B 8 2.344 6.562 -0.407 1.00 0.00 C ATOM 480 O3' DG B 8 3.552 6.222 -1.056 1.00 0.00 O ATOM 481 C2' DG B 8 1.248 5.577 -0.801 1.00 0.00 C ATOM 482 C1' DG B 8 1.515 4.470 0.209 1.00 0.00 C ATOM 483 N9 DG B 8 0.426 3.477 0.329 1.00 0.00 N ATOM 484 C8 DG B 8 -0.935 3.662 0.343 1.00 0.00 C ATOM 485 N7 DG B 8 -1.616 2.564 0.531 1.00 0.00 N ATOM 486 C5 DG B 8 -0.641 1.575 0.643 1.00 0.00 C ATOM 487 C6 DG B 8 -0.765 0.167 0.860 1.00 0.00 C ATOM 488 O6 DG B 8 -1.792 -0.492 1.002 1.00 0.00 O ATOM 489 N1 DG B 8 0.470 -0.478 0.903 1.00 0.00 N ATOM 490 C2 DG B 8 1.687 0.159 0.745 1.00 0.00 C ATOM 491 N2 DG B 8 2.786 -0.599 0.783 1.00 0.00 N ATOM 492 N3 DG B 8 1.806 1.480 0.557 1.00 0.00 N ATOM 493 C4 DG B 8 0.610 2.128 0.517 1.00 0.00 C ATOM 0 H5' DG B 8 1.737 7.154 2.980 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.655 8.289 2.011 1.00 0.00 H new ATOM 0 H4' DG B 8 3.509 6.253 1.358 1.00 0.00 H new ATOM 0 H3' DG B 8 2.138 7.598 -0.677 1.00 0.00 H new ATOM 0 H2' DG B 8 0.249 6.002 -0.700 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.346 5.234 -1.831 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.459 6.373 -2.020 1.00 0.00 H new ATOM 0 H1' DG B 8 2.366 3.863 -0.100 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.400 4.628 0.211 1.00 0.00 H new ATOM 0 H1 DG B 8 0.476 -1.486 1.061 1.00 0.00 H new ATOM 0 H21 DG B 8 3.705 -0.171 0.671 1.00 0.00 H new ATOM 0 H22 DG B 8 2.706 -1.606 0.924 1.00 0.00 H new TER 506 DG B 8