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 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.27 (180deg=-0.27) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.262 (180deg=-0.262) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.540 12.948 24.373 1.00 0.00 O ATOM 2 C5' DG A 1 5.305 11.570 24.570 1.00 0.00 C ATOM 3 C4' DG A 1 3.969 11.169 23.933 1.00 0.00 C ATOM 4 O4' DG A 1 4.040 11.349 22.523 1.00 0.00 O ATOM 5 C3' DG A 1 3.626 9.698 24.204 1.00 0.00 C ATOM 6 O3' DG A 1 2.221 9.533 24.298 1.00 0.00 O ATOM 7 C2' DG A 1 4.208 9.078 22.945 1.00 0.00 C ATOM 8 C1' DG A 1 3.791 10.105 21.901 1.00 0.00 C ATOM 9 N9 DG A 1 4.548 9.959 20.631 1.00 0.00 N ATOM 10 C8 DG A 1 5.911 9.957 20.423 1.00 0.00 C ATOM 11 N7 DG A 1 6.259 9.835 19.173 1.00 0.00 N ATOM 12 C5 DG A 1 5.051 9.760 18.492 1.00 0.00 C ATOM 13 C6 DG A 1 4.797 9.653 17.092 1.00 0.00 C ATOM 14 O6 DG A 1 5.618 9.597 16.179 1.00 0.00 O ATOM 15 N1 DG A 1 3.435 9.616 16.800 1.00 0.00 N ATOM 16 C2 DG A 1 2.432 9.690 17.750 1.00 0.00 C ATOM 17 N2 DG A 1 1.169 9.633 17.315 1.00 0.00 N ATOM 18 N3 DG A 1 2.672 9.810 19.066 1.00 0.00 N ATOM 19 C4 DG A 1 3.998 9.840 19.373 1.00 0.00 C ATOM 0 H5' DG A 1 5.291 11.344 25.636 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.116 10.988 24.131 1.00 0.00 H new ATOM 0 H4' DG A 1 3.197 11.800 24.374 1.00 0.00 H new ATOM 0 H3' DG A 1 4.006 9.269 25.131 1.00 0.00 H new ATOM 0 H2' DG A 1 5.290 8.964 23.003 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.794 8.090 22.741 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.394 13.196 24.784 1.00 0.00 H new ATOM 0 H1' DG A 1 2.748 9.988 21.606 1.00 0.00 H new ATOM 0 H8 DG A 1 6.628 10.049 21.226 1.00 0.00 H new ATOM 0 H1 DG A 1 3.159 9.529 15.822 1.00 0.00 H new ATOM 0 H21 DG A 1 0.398 9.684 17.980 1.00 0.00 H new ATOM 0 H22 DG A 1 0.977 9.539 16.318 1.00 0.00 H new ATOM 32 P DC A 2 1.531 8.093 24.552 1.00 0.00 P ATOM 33 OP1 DC A 2 0.498 8.258 25.598 1.00 0.00 O ATOM 34 OP2 DC A 2 2.593 7.077 24.727 1.00 0.00 O ATOM 35 O5' DC A 2 0.791 7.808 23.143 1.00 0.00 O ATOM 36 C5' DC A 2 -0.339 8.565 22.756 1.00 0.00 C ATOM 37 C4' DC A 2 -1.101 8.016 21.552 1.00 0.00 C ATOM 38 O4' DC A 2 -0.345 8.128 20.359 1.00 0.00 O ATOM 39 C3' DC A 2 -1.451 6.546 21.790 1.00 0.00 C ATOM 40 O3' DC A 2 -2.765 6.297 21.320 1.00 0.00 O ATOM 41 C2' DC A 2 -0.350 5.881 21.000 1.00 0.00 C ATOM 42 C1' DC A 2 -0.163 6.834 19.822 1.00 0.00 C ATOM 43 N1 DC A 2 1.204 6.716 19.271 1.00 0.00 N ATOM 44 C2 DC A 2 1.413 6.504 17.907 1.00 0.00 C ATOM 45 O2 DC A 2 0.478 6.471 17.110 1.00 0.00 O ATOM 46 N3 DC A 2 2.696 6.334 17.470 1.00 0.00 N ATOM 47 C4 DC A 2 3.730 6.342 18.326 1.00 0.00 C ATOM 48 N4 DC A 2 4.971 6.213 17.847 1.00 0.00 N ATOM 49 C5 DC A 2 3.522 6.581 19.725 1.00 0.00 C ATOM 50 C6 DC A 2 2.263 6.790 20.131 1.00 0.00 C ATOM 0 H5' DC A 2 -0.017 9.582 22.531 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.023 8.628 23.602 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.010 8.607 21.437 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.483 6.194 22.821 1.00 0.00 H new ATOM 0 H2' DC A 2 0.563 5.777 21.586 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.634 4.881 20.671 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.861 6.614 19.014 1.00 0.00 H new ATOM 0 H41 DC A 2 5.767 6.217 18.485 1.00 0.00 H new ATOM 0 H42 DC A 2 5.122 6.110 16.844 1.00 0.00 H new ATOM 0 H5 DC A 2 4.347 6.592 20.422 1.00 0.00 H new ATOM 0 H6 DC A 2 2.079 7.024 21.169 1.00 0.00 H new ATOM 62 P DG A 3 -3.380 4.812 21.153 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.842 4.893 21.362 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.574 3.861 21.951 1.00 0.00 O ATOM 65 O5' DG A 3 -3.104 4.539 19.585 1.00 0.00 O ATOM 66 C5' DG A 3 -3.770 5.315 18.605 1.00 0.00 C ATOM 67 C4' DG A 3 -3.561 4.813 17.187 1.00 0.00 C ATOM 68 O4' DG A 3 -2.198 4.863 16.806 1.00 0.00 O ATOM 69 C3' DG A 3 -4.088 3.381 17.103 1.00 0.00 C ATOM 70 O3' DG A 3 -5.110 3.282 16.126 1.00 0.00 O ATOM 71 C2' DG A 3 -2.809 2.627 16.791 1.00 0.00 C ATOM 72 C1' DG A 3 -1.856 3.644 16.181 1.00 0.00 C ATOM 73 N9 DG A 3 -0.437 3.352 16.481 1.00 0.00 N ATOM 74 C8 DG A 3 0.156 3.217 17.709 1.00 0.00 C ATOM 75 N7 DG A 3 1.458 3.254 17.687 1.00 0.00 N ATOM 76 C5 DG A 3 1.755 3.393 16.338 1.00 0.00 C ATOM 77 C6 DG A 3 3.014 3.545 15.689 1.00 0.00 C ATOM 78 O6 DG A 3 4.114 3.707 16.212 1.00 0.00 O ATOM 79 N1 DG A 3 2.901 3.494 14.303 1.00 0.00 N ATOM 80 C2 DG A 3 1.703 3.412 13.616 1.00 0.00 C ATOM 81 N2 DG A 3 1.755 3.384 12.281 1.00 0.00 N ATOM 82 N3 DG A 3 0.509 3.390 14.228 1.00 0.00 N ATOM 83 C4 DG A 3 0.604 3.372 15.585 1.00 0.00 C ATOM 0 H5' DG A 3 -3.422 6.346 18.672 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.838 5.324 18.825 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.104 5.459 16.497 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.582 2.989 17.992 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.385 2.189 17.695 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.999 1.807 16.098 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.950 3.647 15.095 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.410 3.090 18.620 1.00 0.00 H new ATOM 0 H1 DG A 3 3.761 3.519 13.756 1.00 0.00 H new ATOM 0 H21 DG A 3 0.894 3.324 11.738 1.00 0.00 H new ATOM 0 H22 DG A 3 2.656 3.423 11.805 1.00 0.00 H new ATOM 95 P DT A 4 -5.833 1.879 15.765 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.078 2.175 15.022 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.878 1.033 16.978 1.00 0.00 O ATOM 98 O5' DT A 4 -4.767 1.247 14.737 1.00 0.00 O ATOM 99 C5' DT A 4 -4.403 1.965 13.579 1.00 0.00 C ATOM 100 C4' DT A 4 -3.204 1.384 12.838 1.00 0.00 C ATOM 101 O4' DT A 4 -2.039 1.534 13.620 1.00 0.00 O ATOM 102 C3' DT A 4 -3.352 -0.100 12.472 1.00 0.00 C ATOM 103 O3' DT A 4 -3.387 -0.229 11.063 1.00 0.00 O ATOM 104 C2' DT A 4 -2.118 -0.709 13.135 1.00 0.00 C ATOM 105 C1' DT A 4 -1.176 0.483 13.266 1.00 0.00 C ATOM 106 N1 DT A 4 -0.168 0.242 14.321 1.00 0.00 N ATOM 107 C2 DT A 4 1.189 0.205 14.001 1.00 0.00 C ATOM 108 O2 DT A 4 1.615 0.227 12.848 1.00 0.00 O ATOM 109 N3 DT A 4 2.064 0.140 15.076 1.00 0.00 N ATOM 110 C4 DT A 4 1.704 0.059 16.416 1.00 0.00 C ATOM 111 O4 DT A 4 2.570 0.030 17.286 1.00 0.00 O ATOM 112 C5 DT A 4 0.271 0.018 16.647 1.00 0.00 C ATOM 113 C7 DT A 4 -0.280 -0.124 18.047 1.00 0.00 C ATOM 114 C6 DT A 4 -0.596 0.114 15.614 1.00 0.00 C ATOM 0 H5' DT A 4 -4.180 2.995 13.858 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.256 1.996 12.901 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.137 1.942 11.904 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.264 -0.594 12.807 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.355 -1.145 14.106 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.683 -1.502 12.527 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.608 0.686 12.358 1.00 0.00 H new ATOM 0 H3 DT A 4 3.062 0.153 14.864 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.248 0.373 18.109 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.399 -1.181 18.286 1.00 0.00 H new ATOM 0 H73 DT A 4 0.409 0.333 18.757 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.657 0.089 15.815 1.00 0.00 H new ATOM 127 P DA A 5 -3.490 -1.660 10.327 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.152 -1.463 9.018 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.028 -2.653 11.284 1.00 0.00 O ATOM 130 O5' DA A 5 -1.938 -1.998 10.065 1.00 0.00 O ATOM 131 C5' DA A 5 -1.159 -1.207 9.189 1.00 0.00 C ATOM 132 C4' DA A 5 0.253 -1.783 9.075 1.00 0.00 C ATOM 133 O4' DA A 5 0.934 -1.681 10.315 1.00 0.00 O ATOM 134 C3' DA A 5 0.245 -3.261 8.654 1.00 0.00 C ATOM 135 O3' DA A 5 1.007 -3.379 7.466 1.00 0.00 O ATOM 136 C2' DA A 5 0.839 -3.946 9.889 1.00 0.00 C ATOM 137 C1' DA A 5 1.721 -2.842 10.481 1.00 0.00 C ATOM 138 N9 DA A 5 2.002 -3.043 11.919 1.00 0.00 N ATOM 139 C8 DA A 5 1.073 -3.260 12.893 1.00 0.00 C ATOM 140 N7 DA A 5 1.513 -3.142 14.113 1.00 0.00 N ATOM 141 C5 DA A 5 2.865 -2.877 13.932 1.00 0.00 C ATOM 142 C6 DA A 5 3.917 -2.643 14.840 1.00 0.00 C ATOM 143 N6 DA A 5 3.718 -2.541 16.158 1.00 0.00 N ATOM 144 N1 DA A 5 5.163 -2.493 14.354 1.00 0.00 N ATOM 145 C2 DA A 5 5.348 -2.541 13.036 1.00 0.00 C ATOM 146 N3 DA A 5 4.437 -2.695 12.076 1.00 0.00 N ATOM 147 C4 DA A 5 3.189 -2.864 12.596 1.00 0.00 C ATOM 0 H5' DA A 5 -1.113 -0.182 9.556 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.627 -1.173 8.205 1.00 0.00 H new ATOM 0 H4' DA A 5 0.763 -1.200 8.308 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.718 -3.707 8.405 1.00 0.00 H new ATOM 0 H2' DA A 5 0.066 -4.267 10.587 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.418 -4.831 9.624 1.00 0.00 H new ATOM 0 H1' DA A 5 2.697 -2.806 9.996 1.00 0.00 H new ATOM 0 H8 DA A 5 0.047 -3.511 12.669 1.00 0.00 H new ATOM 0 H61 DA A 5 4.507 -2.371 16.781 1.00 0.00 H new ATOM 0 H62 DA A 5 2.777 -2.633 16.540 1.00 0.00 H new ATOM 0 H2 DA A 5 6.370 -2.442 12.702 1.00 0.00 H new ATOM 159 P DC A 6 1.291 -4.792 6.743 1.00 0.00 P ATOM 160 OP1 DC A 6 1.639 -4.531 5.329 1.00 0.00 O ATOM 161 OP2 DC A 6 0.199 -5.733 7.078 1.00 0.00 O ATOM 162 O5' DC A 6 2.622 -5.257 7.515 1.00 0.00 O ATOM 163 C5' DC A 6 3.791 -4.462 7.487 1.00 0.00 C ATOM 164 C4' DC A 6 4.831 -5.035 8.445 1.00 0.00 C ATOM 165 O4' DC A 6 4.345 -4.888 9.760 1.00 0.00 O ATOM 166 C3' DC A 6 5.186 -6.512 8.260 1.00 0.00 C ATOM 167 O3' DC A 6 6.392 -6.681 7.534 1.00 0.00 O ATOM 168 C2' DC A 6 5.251 -7.029 9.696 1.00 0.00 C ATOM 169 C1' DC A 6 5.067 -5.791 10.555 1.00 0.00 C ATOM 170 N1 DC A 6 4.347 -6.075 11.822 1.00 0.00 N ATOM 171 C2 DC A 6 5.018 -5.905 13.030 1.00 0.00 C ATOM 172 O2 DC A 6 6.233 -5.732 13.071 1.00 0.00 O ATOM 173 N3 DC A 6 4.295 -5.932 14.182 1.00 0.00 N ATOM 174 C4 DC A 6 2.974 -6.154 14.173 1.00 0.00 C ATOM 175 N4 DC A 6 2.318 -6.104 15.337 1.00 0.00 N ATOM 176 C5 DC A 6 2.269 -6.391 12.944 1.00 0.00 C ATOM 177 C6 DC A 6 3.001 -6.347 11.806 1.00 0.00 C ATOM 0 H5' DC A 6 3.551 -3.437 7.768 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.195 -4.429 6.475 1.00 0.00 H new ATOM 0 H4' DC A 6 5.744 -4.478 8.234 1.00 0.00 H new ATOM 0 H3' DC A 6 4.464 -7.066 7.661 1.00 0.00 H new ATOM 0 H2' DC A 6 4.470 -7.765 9.888 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.205 -7.515 9.900 1.00 0.00 H new ATOM 0 H1' DC A 6 6.033 -5.391 10.862 1.00 0.00 H new ATOM 0 H41 DC A 6 1.312 -6.269 15.363 1.00 0.00 H new ATOM 0 H42 DC A 6 2.824 -5.901 16.199 1.00 0.00 H new ATOM 0 H5 DC A 6 1.208 -6.594 12.929 1.00 0.00 H new ATOM 0 H6 DC A 6 2.513 -6.531 10.860 1.00 0.00 H new ATOM 189 P DG A 7 7.023 -8.144 7.236 1.00 0.00 P ATOM 190 OP1 DG A 7 7.981 -8.011 6.116 1.00 0.00 O ATOM 191 OP2 DG A 7 5.919 -9.125 7.147 1.00 0.00 O ATOM 192 O5' DG A 7 7.861 -8.448 8.583 1.00 0.00 O ATOM 193 C5' DG A 7 8.956 -7.632 8.949 1.00 0.00 C ATOM 194 C4' DG A 7 9.585 -8.031 10.285 1.00 0.00 C ATOM 195 O4' DG A 7 8.691 -7.773 11.357 1.00 0.00 O ATOM 196 C3' DG A 7 9.962 -9.519 10.311 1.00 0.00 C ATOM 197 O3' DG A 7 11.294 -9.675 10.769 1.00 0.00 O ATOM 198 C2' DG A 7 8.910 -10.062 11.266 1.00 0.00 C ATOM 199 C1' DG A 7 8.715 -8.891 12.218 1.00 0.00 C ATOM 200 N9 DG A 7 7.445 -9.000 12.968 1.00 0.00 N ATOM 201 C8 DG A 7 6.209 -9.336 12.482 1.00 0.00 C ATOM 202 N7 DG A 7 5.240 -9.215 13.345 1.00 0.00 N ATOM 203 C5 DG A 7 5.886 -8.812 14.509 1.00 0.00 C ATOM 204 C6 DG A 7 5.355 -8.556 15.808 1.00 0.00 C ATOM 205 O6 DG A 7 4.177 -8.540 16.151 1.00 0.00 O ATOM 206 N1 DG A 7 6.350 -8.304 16.749 1.00 0.00 N ATOM 207 C2 DG A 7 7.703 -8.274 16.466 1.00 0.00 C ATOM 208 N2 DG A 7 8.537 -8.054 17.487 1.00 0.00 N ATOM 209 N3 DG A 7 8.199 -8.459 15.233 1.00 0.00 N ATOM 210 C4 DG A 7 7.244 -8.729 14.302 1.00 0.00 C ATOM 0 H5' DG A 7 8.625 -6.595 9.006 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.715 -7.682 8.168 1.00 0.00 H new ATOM 0 H4' DG A 7 10.489 -7.433 10.400 1.00 0.00 H new ATOM 0 H3' DG A 7 9.959 -10.035 9.351 1.00 0.00 H new ATOM 0 H2' DG A 7 7.987 -10.326 10.750 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.253 -10.957 11.785 1.00 0.00 H new ATOM 0 H1' DG A 7 9.495 -8.838 12.978 1.00 0.00 H new ATOM 0 H8 DG A 7 6.051 -9.673 11.468 1.00 0.00 H new ATOM 0 H1 DG A 7 6.061 -8.130 17.712 1.00 0.00 H new ATOM 0 H21 DG A 7 9.544 -8.023 17.326 1.00 0.00 H new ATOM 0 H22 DG A 7 8.167 -7.917 18.427 1.00 0.00 H new ATOM 222 P DC A 8 11.980 -11.127 10.945 1.00 0.00 P ATOM 223 OP1 DC A 8 13.448 -10.963 10.853 1.00 0.00 O ATOM 224 OP2 DC A 8 11.288 -12.092 10.062 1.00 0.00 O ATOM 225 O5' DC A 8 11.600 -11.474 12.471 1.00 0.00 O ATOM 226 C5' DC A 8 12.234 -10.804 13.541 1.00 0.00 C ATOM 227 C4' DC A 8 11.593 -11.165 14.882 1.00 0.00 C ATOM 228 O4' DC A 8 10.240 -10.778 14.891 1.00 0.00 O ATOM 229 C3' DC A 8 11.576 -12.661 15.200 1.00 0.00 C ATOM 230 O3' DC A 8 12.784 -13.100 15.785 1.00 0.00 O ATOM 231 C2' DC A 8 10.401 -12.770 16.170 1.00 0.00 C ATOM 232 C1' DC A 8 9.620 -11.467 15.956 1.00 0.00 C ATOM 233 N1 DC A 8 8.190 -11.729 15.644 1.00 0.00 N ATOM 234 C2 DC A 8 7.231 -11.556 16.644 1.00 0.00 C ATOM 235 O2 DC A 8 7.549 -11.266 17.795 1.00 0.00 O ATOM 236 N3 DC A 8 5.918 -11.713 16.318 1.00 0.00 N ATOM 237 C4 DC A 8 5.542 -12.043 15.073 1.00 0.00 C ATOM 238 N4 DC A 8 4.236 -12.129 14.805 1.00 0.00 N ATOM 239 C5 DC A 8 6.514 -12.267 14.038 1.00 0.00 C ATOM 240 C6 DC A 8 7.814 -12.097 14.373 1.00 0.00 C ATOM 0 H5' DC A 8 12.174 -9.727 13.385 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.292 -11.064 13.560 1.00 0.00 H new ATOM 0 H4' DC A 8 12.208 -10.646 15.618 1.00 0.00 H new ATOM 0 H3' DC A 8 11.474 -13.288 14.314 1.00 0.00 H new ATOM 0 H2' DC A 8 9.786 -13.644 15.955 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.742 -12.866 17.201 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.727 -14.060 15.972 1.00 0.00 H new ATOM 0 H1' DC A 8 9.635 -10.872 16.869 1.00 0.00 H new ATOM 0 H41 DC A 8 3.923 -12.378 13.867 1.00 0.00 H new ATOM 0 H42 DC A 8 3.552 -11.946 15.539 1.00 0.00 H new ATOM 0 H5 DC A 8 6.221 -12.557 13.040 1.00 0.00 H new ATOM 0 H6 DC A 8 8.576 -12.254 13.624 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.153 -12.972 24.781 1.00 0.00 O ATOM 255 C5' DG B 1 -0.972 -11.574 24.853 1.00 0.00 C ATOM 256 C4' DG B 1 0.525 -11.239 24.902 1.00 0.00 C ATOM 257 O4' DG B 1 1.143 -11.645 23.686 1.00 0.00 O ATOM 258 C3' DG B 1 0.768 -9.735 25.075 1.00 0.00 C ATOM 259 O3' DG B 1 1.955 -9.514 25.818 1.00 0.00 O ATOM 260 C2' DG B 1 0.907 -9.342 23.614 1.00 0.00 C ATOM 261 C1' DG B 1 1.726 -10.510 23.080 1.00 0.00 C ATOM 262 N9 DG B 1 1.691 -10.593 21.597 1.00 0.00 N ATOM 263 C8 DG B 1 0.604 -10.670 20.753 1.00 0.00 C ATOM 264 N7 DG B 1 0.914 -10.761 19.491 1.00 0.00 N ATOM 265 C5 DG B 1 2.303 -10.757 19.484 1.00 0.00 C ATOM 266 C6 DG B 1 3.212 -10.868 18.389 1.00 0.00 C ATOM 267 O6 DG B 1 2.944 -10.987 17.196 1.00 0.00 O ATOM 268 N1 DG B 1 4.544 -10.832 18.798 1.00 0.00 N ATOM 269 C2 DG B 1 4.952 -10.719 20.115 1.00 0.00 C ATOM 270 N2 DG B 1 6.268 -10.690 20.349 1.00 0.00 N ATOM 271 N3 DG B 1 4.097 -10.635 21.146 1.00 0.00 N ATOM 272 C4 DG B 1 2.789 -10.659 20.767 1.00 0.00 C ATOM 0 H5' DG B 1 -1.470 -11.180 25.739 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.432 -11.095 23.989 1.00 0.00 H new ATOM 0 H4' DG B 1 0.948 -11.767 25.757 1.00 0.00 H new ATOM 0 H3' DG B 1 0.007 -9.175 25.619 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.059 -9.253 23.116 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.419 -8.388 23.490 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.111 -13.177 24.752 1.00 0.00 H new ATOM 0 H1' DG B 1 2.785 -10.409 23.318 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.416 -10.656 21.107 1.00 0.00 H new ATOM 0 H1 DG B 1 5.265 -10.893 18.079 1.00 0.00 H new ATOM 0 H21 DG B 1 6.614 -10.608 21.305 1.00 0.00 H new ATOM 0 H22 DG B 1 6.926 -10.750 19.572 1.00 0.00 H new ATOM 285 P DC B 2 2.509 -8.032 26.150 1.00 0.00 P ATOM 286 OP1 DC B 2 2.896 -7.997 27.578 1.00 0.00 O ATOM 287 OP2 DC B 2 1.548 -7.033 25.629 1.00 0.00 O ATOM 288 O5' DC B 2 3.852 -7.951 25.254 1.00 0.00 O ATOM 289 C5' DC B 2 4.989 -8.723 25.589 1.00 0.00 C ATOM 290 C4' DC B 2 6.266 -8.346 24.842 1.00 0.00 C ATOM 291 O4' DC B 2 6.182 -8.669 23.464 1.00 0.00 O ATOM 292 C3' DC B 2 6.527 -6.846 24.991 1.00 0.00 C ATOM 293 O3' DC B 2 7.914 -6.630 25.189 1.00 0.00 O ATOM 294 C2' DC B 2 5.982 -6.350 23.673 1.00 0.00 C ATOM 295 C1' DC B 2 6.346 -7.482 22.717 1.00 0.00 C ATOM 296 N1 DC B 2 5.428 -7.499 21.557 1.00 0.00 N ATOM 297 C2 DC B 2 5.920 -7.516 20.251 1.00 0.00 C ATOM 298 O2 DC B 2 7.125 -7.579 20.018 1.00 0.00 O ATOM 299 N3 DC B 2 5.022 -7.463 19.223 1.00 0.00 N ATOM 300 C4 DC B 2 3.703 -7.369 19.455 1.00 0.00 C ATOM 301 N4 DC B 2 2.860 -7.364 18.419 1.00 0.00 N ATOM 302 C5 DC B 2 3.192 -7.372 20.795 1.00 0.00 C ATOM 303 C6 DC B 2 4.082 -7.470 21.791 1.00 0.00 C ATOM 0 H5' DC B 2 4.768 -9.772 25.394 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.171 -8.629 26.660 1.00 0.00 H new ATOM 0 H4' DC B 2 7.086 -8.918 25.277 1.00 0.00 H new ATOM 0 H3' DC B 2 6.071 -6.336 25.839 1.00 0.00 H new ATOM 0 H2' DC B 2 4.905 -6.185 23.715 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.437 -5.405 23.375 1.00 0.00 H new ATOM 0 H1' DC B 2 7.359 -7.368 22.331 1.00 0.00 H new ATOM 0 H41 DC B 2 1.855 -7.293 18.579 1.00 0.00 H new ATOM 0 H42 DC B 2 3.221 -7.431 17.467 1.00 0.00 H new ATOM 0 H5 DC B 2 2.133 -7.298 20.993 1.00 0.00 H new ATOM 0 H6 DC B 2 3.725 -7.528 22.809 1.00 0.00 H new ATOM 315 P DG B 3 8.602 -5.170 25.118 1.00 0.00 P ATOM 316 OP1 DG B 3 9.774 -5.168 26.021 1.00 0.00 O ATOM 317 OP2 DG B 3 7.557 -4.133 25.268 1.00 0.00 O ATOM 318 O5' DG B 3 9.135 -5.152 23.593 1.00 0.00 O ATOM 319 C5' DG B 3 10.159 -6.046 23.192 1.00 0.00 C ATOM 320 C4' DG B 3 10.688 -5.777 21.794 1.00 0.00 C ATOM 321 O4' DG B 3 9.682 -5.936 20.810 1.00 0.00 O ATOM 322 C3' DG B 3 11.250 -4.356 21.759 1.00 0.00 C ATOM 323 O3' DG B 3 12.622 -4.371 21.403 1.00 0.00 O ATOM 324 C2' DG B 3 10.320 -3.708 20.751 1.00 0.00 C ATOM 325 C1' DG B 3 9.742 -4.843 19.918 1.00 0.00 C ATOM 326 N9 DG B 3 8.372 -4.562 19.438 1.00 0.00 N ATOM 327 C8 DG B 3 7.261 -4.261 20.182 1.00 0.00 C ATOM 328 N7 DG B 3 6.136 -4.349 19.533 1.00 0.00 N ATOM 329 C5 DG B 3 6.530 -4.706 18.250 1.00 0.00 C ATOM 330 C6 DG B 3 5.742 -5.004 17.101 1.00 0.00 C ATOM 331 O6 DG B 3 4.521 -5.125 17.037 1.00 0.00 O ATOM 332 N1 DG B 3 6.519 -5.165 15.958 1.00 0.00 N ATOM 333 C2 DG B 3 7.902 -5.145 15.941 1.00 0.00 C ATOM 334 N2 DG B 3 8.510 -5.327 14.764 1.00 0.00 N ATOM 335 N3 DG B 3 8.645 -4.983 17.046 1.00 0.00 N ATOM 336 C4 DG B 3 7.901 -4.759 18.163 1.00 0.00 C ATOM 0 H5' DG B 3 9.777 -7.066 23.237 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.984 -5.983 23.902 1.00 0.00 H new ATOM 0 H4' DG B 3 11.470 -6.501 21.565 1.00 0.00 H new ATOM 0 H3' DG B 3 11.264 -3.813 22.704 1.00 0.00 H new ATOM 0 H2' DG B 3 9.529 -3.151 21.253 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.859 -2.999 20.123 1.00 0.00 H new ATOM 0 H1' DG B 3 10.353 -5.011 19.031 1.00 0.00 H new ATOM 0 H8 DG B 3 7.315 -3.974 21.222 1.00 0.00 H new ATOM 0 H1 DG B 3 6.035 -5.308 15.071 1.00 0.00 H new ATOM 0 H21 DG B 3 9.529 -5.319 14.709 1.00 0.00 H new ATOM 0 H22 DG B 3 7.955 -5.474 13.921 1.00 0.00 H new ATOM 348 P DT B 4 13.490 -3.015 21.232 1.00 0.00 P ATOM 349 OP1 DT B 4 14.925 -3.377 21.245 1.00 0.00 O ATOM 350 OP2 DT B 4 12.974 -1.991 22.167 1.00 0.00 O ATOM 351 O5' DT B 4 13.088 -2.589 19.731 1.00 0.00 O ATOM 352 C5' DT B 4 13.304 -3.489 18.668 1.00 0.00 C ATOM 353 C4' DT B 4 12.644 -3.075 17.358 1.00 0.00 C ATOM 354 O4' DT B 4 11.241 -3.146 17.485 1.00 0.00 O ATOM 355 C3' DT B 4 13.015 -1.660 16.889 1.00 0.00 C ATOM 356 O3' DT B 4 13.739 -1.749 15.675 1.00 0.00 O ATOM 357 C2' DT B 4 11.641 -1.004 16.761 1.00 0.00 C ATOM 358 C1' DT B 4 10.706 -2.197 16.598 1.00 0.00 C ATOM 359 N1 DT B 4 9.323 -1.834 16.976 1.00 0.00 N ATOM 360 C2 DT B 4 8.298 -1.898 16.033 1.00 0.00 C ATOM 361 O2 DT B 4 8.487 -2.114 14.838 1.00 0.00 O ATOM 362 N3 DT B 4 7.013 -1.701 16.520 1.00 0.00 N ATOM 363 C4 DT B 4 6.677 -1.402 17.835 1.00 0.00 C ATOM 364 O4 DT B 4 5.499 -1.272 18.155 1.00 0.00 O ATOM 365 C5 DT B 4 7.816 -1.270 18.727 1.00 0.00 C ATOM 366 C7 DT B 4 7.620 -0.893 20.176 1.00 0.00 C ATOM 367 C6 DT B 4 9.071 -1.491 18.277 1.00 0.00 C ATOM 0 H5' DT B 4 12.930 -4.471 18.956 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.377 -3.592 18.505 1.00 0.00 H new ATOM 0 H4' DT B 4 13.017 -3.773 16.608 1.00 0.00 H new ATOM 0 H3' DT B 4 13.667 -1.086 17.547 1.00 0.00 H new ATOM 0 H2' DT B 4 11.392 -0.413 17.643 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.592 -0.333 15.904 1.00 0.00 H new ATOM 0 H1' DT B 4 10.645 -2.561 15.572 1.00 0.00 H new ATOM 0 H3 DT B 4 6.246 -1.783 15.852 1.00 0.00 H new ATOM 0 H71 DT B 4 8.413 -1.337 20.778 1.00 0.00 H new ATOM 0 H72 DT B 4 7.652 0.192 20.277 1.00 0.00 H new ATOM 0 H73 DT B 4 6.654 -1.261 20.520 1.00 0.00 H new ATOM 0 H6 DT B 4 9.899 -1.394 18.964 1.00 0.00 H new ATOM 380 P DA B 5 14.252 -0.445 14.876 1.00 0.00 P ATOM 381 OP1 DA B 5 15.455 -0.819 14.100 1.00 0.00 O ATOM 382 OP2 DA B 5 14.304 0.700 15.812 1.00 0.00 O ATOM 383 O5' DA B 5 13.038 -0.203 13.846 1.00 0.00 O ATOM 384 C5' DA B 5 12.747 -1.143 12.831 1.00 0.00 C ATOM 385 C4' DA B 5 11.593 -0.640 11.963 1.00 0.00 C ATOM 386 O4' DA B 5 10.393 -0.579 12.716 1.00 0.00 O ATOM 387 C3' DA B 5 11.866 0.758 11.385 1.00 0.00 C ATOM 388 O3' DA B 5 11.790 0.667 9.973 1.00 0.00 O ATOM 389 C2' DA B 5 10.772 1.597 12.052 1.00 0.00 C ATOM 390 C1' DA B 5 9.670 0.561 12.299 1.00 0.00 C ATOM 391 N9 DA B 5 8.733 0.967 13.368 1.00 0.00 N ATOM 392 C8 DA B 5 9.078 1.365 14.626 1.00 0.00 C ATOM 393 N7 DA B 5 8.094 1.420 15.477 1.00 0.00 N ATOM 394 C5 DA B 5 6.992 1.078 14.704 1.00 0.00 C ATOM 395 C6 DA B 5 5.622 0.946 15.006 1.00 0.00 C ATOM 396 N6 DA B 5 5.149 1.056 16.251 1.00 0.00 N ATOM 397 N1 DA B 5 4.766 0.672 14.004 1.00 0.00 N ATOM 398 C2 DA B 5 5.249 0.509 12.774 1.00 0.00 C ATOM 399 N3 DA B 5 6.519 0.551 12.369 1.00 0.00 N ATOM 400 C4 DA B 5 7.360 0.848 13.399 1.00 0.00 C ATOM 0 H5' DA B 5 12.485 -2.102 13.277 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.630 -1.309 12.214 1.00 0.00 H new ATOM 0 H4' DA B 5 11.495 -1.349 11.141 1.00 0.00 H new ATOM 0 H3' DA B 5 12.844 1.199 11.576 1.00 0.00 H new ATOM 0 H2' DA B 5 11.118 2.052 12.980 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.431 2.407 11.407 1.00 0.00 H new ATOM 0 H1' DA B 5 9.053 0.412 11.413 1.00 0.00 H new ATOM 0 H8 DA B 5 10.093 1.616 14.897 1.00 0.00 H new ATOM 0 H61 DA B 5 4.150 0.954 16.428 1.00 0.00 H new ATOM 0 H62 DA B 5 5.787 1.242 17.024 1.00 0.00 H new ATOM 0 H2 DA B 5 4.517 0.318 12.004 1.00 0.00 H new ATOM 412 P DC B 6 11.947 1.944 9.002 1.00 0.00 P ATOM 413 OP1 DC B 6 12.330 1.462 7.657 1.00 0.00 O ATOM 414 OP2 DC B 6 12.768 2.970 9.684 1.00 0.00 O ATOM 415 O5' DC B 6 10.427 2.460 8.943 1.00 0.00 O ATOM 416 C5' DC B 6 9.394 1.619 8.469 1.00 0.00 C ATOM 417 C4' DC B 6 8.040 2.285 8.693 1.00 0.00 C ATOM 418 O4' DC B 6 7.813 2.363 10.082 1.00 0.00 O ATOM 419 C3' DC B 6 7.875 3.699 8.131 1.00 0.00 C ATOM 420 O3' DC B 6 7.186 3.700 6.892 1.00 0.00 O ATOM 421 C2' DC B 6 7.135 4.427 9.251 1.00 0.00 C ATOM 422 C1' DC B 6 6.830 3.345 10.272 1.00 0.00 C ATOM 423 N1 DC B 6 6.850 3.852 11.667 1.00 0.00 N ATOM 424 C2 DC B 6 5.668 3.842 12.403 1.00 0.00 C ATOM 425 O2 DC B 6 4.581 3.628 11.873 1.00 0.00 O ATOM 426 N3 DC B 6 5.736 4.074 13.742 1.00 0.00 N ATOM 427 C4 DC B 6 6.901 4.345 14.346 1.00 0.00 C ATOM 428 N4 DC B 6 6.903 4.501 15.674 1.00 0.00 N ATOM 429 C5 DC B 6 8.126 4.419 13.597 1.00 0.00 C ATOM 430 C6 DC B 6 8.042 4.172 12.269 1.00 0.00 C ATOM 0 H5' DC B 6 9.428 0.660 8.986 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.538 1.414 7.408 1.00 0.00 H new ATOM 0 H4' DC B 6 7.329 1.661 8.151 1.00 0.00 H new ATOM 0 H3' DC B 6 8.818 4.187 7.883 1.00 0.00 H new ATOM 0 H2' DC B 6 7.748 5.218 9.683 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.222 4.895 8.884 1.00 0.00 H new ATOM 0 H1' DC B 6 5.822 2.955 10.127 1.00 0.00 H new ATOM 0 H41 DC B 6 7.775 4.708 16.162 1.00 0.00 H new ATOM 0 H42 DC B 6 6.033 4.413 16.199 1.00 0.00 H new ATOM 0 H5 DC B 6 9.066 4.660 14.071 1.00 0.00 H new ATOM 0 H6 DC B 6 8.937 4.228 11.666 1.00 0.00 H new ATOM 442 P DG B 7 6.834 5.069 6.100 1.00 0.00 P ATOM 443 OP1 DG B 7 6.544 4.723 4.690 1.00 0.00 O ATOM 444 OP2 DG B 7 7.873 6.075 6.411 1.00 0.00 O ATOM 445 O5' DG B 7 5.454 5.535 6.798 1.00 0.00 O ATOM 446 C5' DG B 7 4.293 4.734 6.704 1.00 0.00 C ATOM 447 C4' DG B 7 3.104 5.305 7.480 1.00 0.00 C ATOM 448 O4' DG B 7 3.348 5.258 8.878 1.00 0.00 O ATOM 449 C3' DG B 7 2.816 6.760 7.083 1.00 0.00 C ATOM 450 O3' DG B 7 1.437 6.923 6.801 1.00 0.00 O ATOM 451 C2' DG B 7 3.286 7.494 8.330 1.00 0.00 C ATOM 452 C1' DG B 7 2.948 6.495 9.428 1.00 0.00 C ATOM 453 N9 DG B 7 3.694 6.778 10.674 1.00 0.00 N ATOM 454 C8 DG B 7 5.020 7.091 10.807 1.00 0.00 C ATOM 455 N7 DG B 7 5.440 7.148 12.039 1.00 0.00 N ATOM 456 C5 DG B 7 4.294 6.900 12.787 1.00 0.00 C ATOM 457 C6 DG B 7 4.114 6.870 14.202 1.00 0.00 C ATOM 458 O6 DG B 7 4.974 6.958 15.073 1.00 0.00 O ATOM 459 N1 DG B 7 2.779 6.722 14.566 1.00 0.00 N ATOM 460 C2 DG B 7 1.736 6.589 13.668 1.00 0.00 C ATOM 461 N2 DG B 7 0.502 6.492 14.173 1.00 0.00 N ATOM 462 N3 DG B 7 1.911 6.560 12.337 1.00 0.00 N ATOM 463 C4 DG B 7 3.208 6.725 11.961 1.00 0.00 C ATOM 0 H5' DG B 7 4.517 3.735 7.078 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.017 4.627 5.655 1.00 0.00 H new ATOM 0 H4' DG B 7 2.239 4.690 7.231 1.00 0.00 H new ATOM 0 H3' DG B 7 3.306 7.120 6.179 1.00 0.00 H new ATOM 0 H2' DG B 7 4.352 7.717 8.295 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.766 8.442 8.466 1.00 0.00 H new ATOM 0 H1' DG B 7 1.895 6.525 9.708 1.00 0.00 H new ATOM 0 H8 DG B 7 5.665 7.275 9.960 1.00 0.00 H new ATOM 0 H1 DG B 7 2.555 6.711 15.561 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.298 6.392 13.548 1.00 0.00 H new ATOM 0 H22 DG B 7 0.361 6.518 15.183 1.00 0.00 H new ATOM 475 P DC B 8 0.806 8.352 6.388 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.433 8.108 5.617 1.00 0.00 O ATOM 477 OP2 DC B 8 1.876 9.200 5.816 1.00 0.00 O ATOM 478 O5' DC B 8 0.402 8.948 7.828 1.00 0.00 O ATOM 479 C5' DC B 8 -0.697 8.422 8.543 1.00 0.00 C ATOM 480 C4' DC B 8 -0.783 9.014 9.950 1.00 0.00 C ATOM 481 O4' DC B 8 0.380 8.697 10.678 1.00 0.00 O ATOM 482 C3' DC B 8 -0.872 10.540 9.997 1.00 0.00 C ATOM 483 O3' DC B 8 -2.196 11.005 9.842 1.00 0.00 O ATOM 484 C2' DC B 8 -0.317 10.852 11.386 1.00 0.00 C ATOM 485 C1' DC B 8 0.424 9.571 11.787 1.00 0.00 C ATOM 486 N1 DC B 8 1.832 9.849 12.174 1.00 0.00 N ATOM 487 C2 DC B 8 2.174 9.875 13.528 1.00 0.00 C ATOM 488 O2 DC B 8 1.324 9.750 14.407 1.00 0.00 O ATOM 489 N3 DC B 8 3.484 10.040 13.863 1.00 0.00 N ATOM 490 C4 DC B 8 4.430 10.193 12.925 1.00 0.00 C ATOM 491 N4 DC B 8 5.704 10.298 13.318 1.00 0.00 N ATOM 492 C5 DC B 8 4.096 10.211 11.528 1.00 0.00 C ATOM 493 C6 DC B 8 2.793 10.034 11.209 1.00 0.00 C ATOM 0 H5' DC B 8 -0.605 7.338 8.608 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.619 8.632 8.001 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.697 8.587 10.363 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.329 11.029 9.188 1.00 0.00 H new ATOM 0 H2' DC B 8 0.354 11.711 11.364 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.114 11.089 12.090 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.205 11.984 9.880 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.055 9.124 12.658 1.00 0.00 H new ATOM 0 H41 DC B 8 6.443 10.415 12.625 1.00 0.00 H new ATOM 0 H42 DC B 8 5.936 10.261 14.311 1.00 0.00 H new ATOM 0 H5 DC B 8 4.849 10.359 10.768 1.00 0.00 H new ATOM 0 H6 DC B 8 2.501 10.038 10.169 1.00 0.00 H new TER 506 DC B 8