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= -1.56! (180deg=-1.56!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 27:sc= 0.00305 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.69! (180deg=-1.69!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.300 -8.689 -2.073 1.00 0.00 O ATOM 2 C5' DC A 1 4.289 -9.145 -0.737 1.00 0.00 C ATOM 3 C4' DC A 1 4.583 -7.984 0.219 1.00 0.00 C ATOM 4 O4' DC A 1 3.562 -7.009 0.170 1.00 0.00 O ATOM 5 C3' DC A 1 4.724 -8.431 1.678 1.00 0.00 C ATOM 6 O3' DC A 1 6.125 -8.540 1.895 1.00 0.00 O ATOM 7 C2' DC A 1 4.003 -7.285 2.441 1.00 0.00 C ATOM 8 C1' DC A 1 3.663 -6.253 1.356 1.00 0.00 C ATOM 9 N1 DC A 1 2.415 -5.488 1.604 1.00 0.00 N ATOM 10 C2 DC A 1 2.406 -4.090 1.591 1.00 0.00 C ATOM 11 O2 DC A 1 3.441 -3.442 1.460 1.00 0.00 O ATOM 12 N3 DC A 1 1.207 -3.448 1.729 1.00 0.00 N ATOM 13 C4 DC A 1 0.062 -4.137 1.878 1.00 0.00 C ATOM 14 N4 DC A 1 -1.087 -3.466 2.014 1.00 0.00 N ATOM 15 C5 DC A 1 0.051 -5.573 1.836 1.00 0.00 C ATOM 16 C6 DC A 1 1.248 -6.182 1.690 1.00 0.00 C ATOM 0 H5' DC A 1 5.033 -9.931 -0.607 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.319 -9.583 -0.502 1.00 0.00 H new ATOM 0 H4' DC A 1 5.532 -7.570 -0.120 1.00 0.00 H new ATOM 0 H3' DC A 1 4.294 -9.384 1.987 1.00 0.00 H new ATOM 0 H2' DC A 1 3.104 -7.646 2.941 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.645 -6.855 3.210 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.113 -9.438 -2.676 1.00 0.00 H new ATOM 0 H1' DC A 1 4.432 -5.481 1.320 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.964 -3.974 2.128 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.086 -2.446 2.004 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.867 -6.137 1.917 1.00 0.00 H new ATOM 0 H6 DC A 1 1.280 -7.260 1.640 1.00 0.00 H new ATOM 29 P DG A 2 6.839 -8.440 3.335 1.00 0.00 P ATOM 30 OP1 DG A 2 8.219 -8.955 3.198 1.00 0.00 O ATOM 31 OP2 DG A 2 5.933 -9.020 4.351 1.00 0.00 O ATOM 32 O5' DG A 2 6.920 -6.843 3.572 1.00 0.00 O ATOM 33 C5' DG A 2 7.456 -5.958 2.601 1.00 0.00 C ATOM 34 C4' DG A 2 7.531 -4.534 3.132 1.00 0.00 C ATOM 35 O4' DG A 2 6.236 -3.961 3.034 1.00 0.00 O ATOM 36 C3' DG A 2 8.004 -4.447 4.590 1.00 0.00 C ATOM 37 O3' DG A 2 8.937 -3.389 4.668 1.00 0.00 O ATOM 38 C2' DG A 2 6.659 -4.222 5.267 1.00 0.00 C ATOM 39 C1' DG A 2 5.969 -3.322 4.253 1.00 0.00 C ATOM 40 N9 DG A 2 4.514 -3.213 4.501 1.00 0.00 N ATOM 41 C8 DG A 2 3.672 -4.209 4.916 1.00 0.00 C ATOM 42 N7 DG A 2 2.414 -3.880 4.945 1.00 0.00 N ATOM 43 C5 DG A 2 2.419 -2.549 4.547 1.00 0.00 C ATOM 44 C6 DG A 2 1.325 -1.653 4.374 1.00 0.00 C ATOM 45 O6 DG A 2 0.129 -1.914 4.447 1.00 0.00 O ATOM 46 N1 DG A 2 1.737 -0.354 4.090 1.00 0.00 N ATOM 47 C2 DG A 2 3.056 0.016 3.902 1.00 0.00 C ATOM 48 N2 DG A 2 3.288 1.307 3.636 1.00 0.00 N ATOM 49 N3 DG A 2 4.084 -0.851 3.971 1.00 0.00 N ATOM 50 C4 DG A 2 3.702 -2.114 4.309 1.00 0.00 C ATOM 0 H5' DG A 2 6.838 -5.982 1.704 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.452 -6.293 2.311 1.00 0.00 H new ATOM 0 H4' DG A 2 8.267 -3.998 2.533 1.00 0.00 H new ATOM 0 H3' DG A 2 8.535 -5.286 5.039 1.00 0.00 H new ATOM 0 H2' DG A 2 6.117 -5.154 5.427 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.763 -3.743 6.240 1.00 0.00 H new ATOM 0 H1' DG A 2 6.327 -2.293 4.290 1.00 0.00 H new ATOM 0 H8 DG A 2 4.024 -5.190 5.197 1.00 0.00 H new ATOM 0 H1 DG A 2 1.022 0.369 4.016 1.00 0.00 H new ATOM 0 H21 DG A 2 4.243 1.634 3.489 1.00 0.00 H new ATOM 0 H22 DG A 2 2.510 1.964 3.581 1.00 0.00 H new ATOM 62 P DC A 3 9.445 -2.764 6.055 1.00 0.00 P ATOM 63 OP1 DC A 3 10.867 -2.384 5.908 1.00 0.00 O ATOM 64 OP2 DC A 3 9.021 -3.630 7.178 1.00 0.00 O ATOM 65 O5' DC A 3 8.549 -1.429 6.059 1.00 0.00 O ATOM 66 C5' DC A 3 8.767 -0.412 5.098 1.00 0.00 C ATOM 67 C4' DC A 3 7.971 0.839 5.458 1.00 0.00 C ATOM 68 O4' DC A 3 6.585 0.573 5.370 1.00 0.00 O ATOM 69 C3' DC A 3 8.291 1.328 6.878 1.00 0.00 C ATOM 70 O3' DC A 3 8.764 2.660 6.775 1.00 0.00 O ATOM 71 C2' DC A 3 6.971 1.156 7.610 1.00 0.00 C ATOM 72 C1' DC A 3 5.937 1.127 6.496 1.00 0.00 C ATOM 73 N1 DC A 3 4.823 0.231 6.894 1.00 0.00 N ATOM 74 C2 DC A 3 3.535 0.738 7.055 1.00 0.00 C ATOM 75 O2 DC A 3 3.282 1.926 6.871 1.00 0.00 O ATOM 76 N3 DC A 3 2.545 -0.125 7.424 1.00 0.00 N ATOM 77 C4 DC A 3 2.795 -1.422 7.660 1.00 0.00 C ATOM 78 N4 DC A 3 1.783 -2.233 7.978 1.00 0.00 N ATOM 79 C5 DC A 3 4.121 -1.948 7.541 1.00 0.00 C ATOM 80 C6 DC A 3 5.083 -1.096 7.136 1.00 0.00 C ATOM 0 H5' DC A 3 8.472 -0.767 4.110 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.829 -0.173 5.047 1.00 0.00 H new ATOM 0 H4' DC A 3 8.254 1.618 4.750 1.00 0.00 H new ATOM 0 H3' DC A 3 9.072 0.794 7.420 1.00 0.00 H new ATOM 0 H2' DC A 3 6.955 0.236 8.194 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.789 1.977 8.303 1.00 0.00 H new ATOM 0 H1' DC A 3 5.542 2.121 6.289 1.00 0.00 H new ATOM 0 H41 DC A 3 1.959 -3.221 8.160 1.00 0.00 H new ATOM 0 H42 DC A 3 0.834 -1.864 8.039 1.00 0.00 H new ATOM 0 H5 DC A 3 4.340 -2.981 7.766 1.00 0.00 H new ATOM 0 H6 DC A 3 6.088 -1.467 6.998 1.00 0.00 H new ATOM 92 P DT A 4 9.112 3.574 8.053 1.00 0.00 P ATOM 93 OP1 DT A 4 9.926 4.721 7.595 1.00 0.00 O ATOM 94 OP2 DT A 4 9.611 2.701 9.140 1.00 0.00 O ATOM 95 O5' DT A 4 7.656 4.119 8.466 1.00 0.00 O ATOM 96 C5' DT A 4 6.847 4.844 7.557 1.00 0.00 C ATOM 97 C4' DT A 4 5.567 5.307 8.259 1.00 0.00 C ATOM 98 O4' DT A 4 4.710 4.197 8.469 1.00 0.00 O ATOM 99 C3' DT A 4 5.839 5.972 9.614 1.00 0.00 C ATOM 100 O3' DT A 4 5.319 7.288 9.628 1.00 0.00 O ATOM 101 C2' DT A 4 5.167 5.018 10.604 1.00 0.00 C ATOM 102 C1' DT A 4 4.123 4.297 9.750 1.00 0.00 C ATOM 103 N1 DT A 4 3.768 2.924 10.221 1.00 0.00 N ATOM 104 C2 DT A 4 2.421 2.557 10.241 1.00 0.00 C ATOM 105 O2 DT A 4 1.499 3.358 10.103 1.00 0.00 O ATOM 106 N3 DT A 4 2.152 1.209 10.430 1.00 0.00 N ATOM 107 C4 DT A 4 3.087 0.197 10.588 1.00 0.00 C ATOM 108 O4 DT A 4 2.712 -0.962 10.757 1.00 0.00 O ATOM 109 C5 DT A 4 4.467 0.648 10.533 1.00 0.00 C ATOM 110 C7 DT A 4 5.603 -0.367 10.568 1.00 0.00 C ATOM 111 C6 DT A 4 4.748 1.966 10.371 1.00 0.00 C ATOM 0 H5' DT A 4 6.597 4.219 6.700 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.395 5.705 7.175 1.00 0.00 H new ATOM 0 H4' DT A 4 5.103 6.047 7.608 1.00 0.00 H new ATOM 0 H3' DT A 4 6.893 6.108 9.857 1.00 0.00 H new ATOM 0 H2' DT A 4 5.883 4.320 11.038 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.706 5.557 11.432 1.00 0.00 H new ATOM 0 H1' DT A 4 3.190 4.859 9.786 1.00 0.00 H new ATOM 0 H3 DT A 4 1.170 0.935 10.455 1.00 0.00 H new ATOM 0 H71 DT A 4 6.456 0.023 10.013 1.00 0.00 H new ATOM 0 H72 DT A 4 5.896 -0.550 11.602 1.00 0.00 H new ATOM 0 H73 DT A 4 5.271 -1.301 10.114 1.00 0.00 H new ATOM 0 H6 DT A 4 5.782 2.277 10.359 1.00 0.00 H new ATOM 124 P DA A 5 5.397 8.234 10.936 1.00 0.00 P ATOM 125 OP1 DA A 5 5.422 9.646 10.494 1.00 0.00 O ATOM 126 OP2 DA A 5 6.451 7.723 11.842 1.00 0.00 O ATOM 127 O5' DA A 5 3.961 7.931 11.599 1.00 0.00 O ATOM 128 C5' DA A 5 2.784 8.328 10.929 1.00 0.00 C ATOM 129 C4' DA A 5 1.522 7.892 11.653 1.00 0.00 C ATOM 130 O4' DA A 5 1.414 6.490 11.706 1.00 0.00 O ATOM 131 C3' DA A 5 1.428 8.449 13.078 1.00 0.00 C ATOM 132 O3' DA A 5 0.336 9.347 13.061 1.00 0.00 O ATOM 133 C2' DA A 5 1.341 7.186 13.927 1.00 0.00 C ATOM 134 C1' DA A 5 0.821 6.153 12.940 1.00 0.00 C ATOM 135 N9 DA A 5 1.218 4.762 13.235 1.00 0.00 N ATOM 136 C8 DA A 5 2.480 4.240 13.352 1.00 0.00 C ATOM 137 N7 DA A 5 2.517 2.937 13.440 1.00 0.00 N ATOM 138 C5 DA A 5 1.177 2.565 13.367 1.00 0.00 C ATOM 139 C6 DA A 5 0.505 1.321 13.387 1.00 0.00 C ATOM 140 N6 DA A 5 1.132 0.139 13.466 1.00 0.00 N ATOM 141 N1 DA A 5 -0.840 1.326 13.313 1.00 0.00 N ATOM 142 C2 DA A 5 -1.482 2.485 13.186 1.00 0.00 C ATOM 143 N3 DA A 5 -0.970 3.705 13.110 1.00 0.00 N ATOM 144 C4 DA A 5 0.383 3.676 13.221 1.00 0.00 C ATOM 0 H5' DA A 5 2.784 7.908 9.923 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.780 9.413 10.822 1.00 0.00 H new ATOM 0 H4' DA A 5 0.698 8.303 11.070 1.00 0.00 H new ATOM 0 H3' DA A 5 2.246 9.042 13.488 1.00 0.00 H new ATOM 0 H2' DA A 5 2.312 6.904 14.334 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.666 7.313 14.773 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.268 6.178 12.968 1.00 0.00 H new ATOM 0 H8 DA A 5 3.368 4.854 13.370 1.00 0.00 H new ATOM 0 H61 DA A 5 0.591 -0.726 13.476 1.00 0.00 H new ATOM 0 H62 DA A 5 2.150 0.104 13.516 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.559 2.423 13.139 1.00 0.00 H new ATOM 156 P DG A 6 -0.199 10.101 14.367 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.945 11.310 13.952 1.00 0.00 O ATOM 158 OP2 DG A 6 0.892 10.197 15.363 1.00 0.00 O ATOM 159 O5' DG A 6 -1.239 8.986 14.839 1.00 0.00 O ATOM 160 C5' DG A 6 -2.384 8.668 14.070 1.00 0.00 C ATOM 161 C4' DG A 6 -3.112 7.508 14.744 1.00 0.00 C ATOM 162 O4' DG A 6 -2.396 6.285 14.556 1.00 0.00 O ATOM 163 C3' DG A 6 -3.215 7.772 16.258 1.00 0.00 C ATOM 164 O3' DG A 6 -4.535 7.639 16.742 1.00 0.00 O ATOM 165 C2' DG A 6 -2.260 6.708 16.763 1.00 0.00 C ATOM 166 C1' DG A 6 -2.470 5.584 15.778 1.00 0.00 C ATOM 167 N9 DG A 6 -1.465 4.521 16.014 1.00 0.00 N ATOM 168 C8 DG A 6 -0.111 4.629 16.228 1.00 0.00 C ATOM 169 N7 DG A 6 0.493 3.498 16.447 1.00 0.00 N ATOM 170 C5 DG A 6 -0.537 2.570 16.417 1.00 0.00 C ATOM 171 C6 DG A 6 -0.492 1.161 16.604 1.00 0.00 C ATOM 172 O6 DG A 6 0.505 0.458 16.739 1.00 0.00 O ATOM 173 N1 DG A 6 -1.762 0.591 16.625 1.00 0.00 N ATOM 174 C2 DG A 6 -2.942 1.287 16.446 1.00 0.00 C ATOM 175 N2 DG A 6 -4.081 0.592 16.550 1.00 0.00 N ATOM 176 N3 DG A 6 -2.979 2.608 16.215 1.00 0.00 N ATOM 177 C4 DG A 6 -1.747 3.190 16.216 1.00 0.00 C ATOM 0 H5' DG A 6 -2.095 8.396 13.055 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.041 9.534 13.993 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.103 7.425 14.298 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.966 8.783 16.579 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.228 7.058 16.765 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.495 6.403 17.783 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.402 5.022 15.836 1.00 0.00 H new ATOM 0 H8 DG A 6 0.409 5.576 16.215 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.826 -0.414 16.784 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.978 1.061 16.426 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.052 -0.407 16.753 1.00 0.00 H new ATOM 189 P DC A 7 -4.897 7.824 18.312 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.175 8.565 18.410 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.706 8.311 19.043 1.00 0.00 O ATOM 192 O5' DC A 7 -5.162 6.290 18.729 1.00 0.00 O ATOM 193 C5' DC A 7 -6.120 5.550 18.007 1.00 0.00 C ATOM 194 C4' DC A 7 -6.445 4.175 18.579 1.00 0.00 C ATOM 195 O4' DC A 7 -5.378 3.284 18.334 1.00 0.00 O ATOM 196 C3' DC A 7 -6.777 4.198 20.072 1.00 0.00 C ATOM 197 O3' DC A 7 -7.983 3.481 20.283 1.00 0.00 O ATOM 198 C2' DC A 7 -5.538 3.543 20.649 1.00 0.00 C ATOM 199 C1' DC A 7 -5.040 2.632 19.535 1.00 0.00 C ATOM 200 N1 DC A 7 -3.560 2.522 19.594 1.00 0.00 N ATOM 201 C2 DC A 7 -2.942 1.290 19.829 1.00 0.00 C ATOM 202 O2 DC A 7 -3.593 0.263 20.003 1.00 0.00 O ATOM 203 N3 DC A 7 -1.577 1.249 19.861 1.00 0.00 N ATOM 204 C4 DC A 7 -0.843 2.361 19.689 1.00 0.00 C ATOM 205 N4 DC A 7 0.489 2.268 19.683 1.00 0.00 N ATOM 206 C5 DC A 7 -1.464 3.628 19.436 1.00 0.00 C ATOM 207 C6 DC A 7 -2.808 3.652 19.382 1.00 0.00 C ATOM 0 H5' DC A 7 -5.764 5.425 16.984 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.041 6.131 17.955 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.345 3.833 18.068 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.965 5.170 20.528 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.787 4.284 20.922 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.771 2.977 21.551 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.473 1.635 19.618 1.00 0.00 H new ATOM 0 H41 DC A 7 1.058 3.105 19.553 1.00 0.00 H new ATOM 0 H42 DC A 7 0.937 1.360 19.808 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.878 4.524 19.295 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.309 4.584 19.166 1.00 0.00 H new ATOM 219 P DG A 8 -8.697 3.378 21.728 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.074 2.872 21.531 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.477 4.645 22.460 1.00 0.00 O ATOM 222 O5' DG A 8 -7.839 2.225 22.449 1.00 0.00 O ATOM 223 C5' DG A 8 -7.780 0.915 21.920 1.00 0.00 C ATOM 224 C4' DG A 8 -6.845 0.035 22.754 1.00 0.00 C ATOM 225 O4' DG A 8 -5.501 0.285 22.375 1.00 0.00 O ATOM 226 C3' DG A 8 -6.941 0.259 24.275 1.00 0.00 C ATOM 227 O3' DG A 8 -7.080 -0.967 24.965 1.00 0.00 O ATOM 228 C2' DG A 8 -5.595 0.896 24.600 1.00 0.00 C ATOM 229 C1' DG A 8 -4.718 0.239 23.545 1.00 0.00 C ATOM 230 N9 DG A 8 -3.410 0.903 23.356 1.00 0.00 N ATOM 231 C8 DG A 8 -3.109 2.240 23.275 1.00 0.00 C ATOM 232 N7 DG A 8 -1.845 2.484 23.053 1.00 0.00 N ATOM 233 C5 DG A 8 -1.262 1.221 22.986 1.00 0.00 C ATOM 234 C6 DG A 8 0.095 0.833 22.751 1.00 0.00 C ATOM 235 O6 DG A 8 1.069 1.554 22.551 1.00 0.00 O ATOM 236 N1 DG A 8 0.265 -0.551 22.765 1.00 0.00 N ATOM 237 C2 DG A 8 -0.753 -1.459 22.989 1.00 0.00 C ATOM 238 N2 DG A 8 -0.431 -2.755 22.987 1.00 0.00 N ATOM 239 N3 DG A 8 -2.027 -1.097 23.192 1.00 0.00 N ATOM 240 C4 DG A 8 -2.215 0.250 23.176 1.00 0.00 C ATOM 0 H5' DG A 8 -7.430 0.950 20.888 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.779 0.479 21.903 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.159 -0.989 22.553 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.801 0.863 24.565 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.616 1.982 24.505 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.264 0.671 25.614 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.137 -0.796 25.928 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.443 -0.774 23.839 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.849 3.019 23.385 1.00 0.00 H new ATOM 0 H1 DG A 8 1.202 -0.918 22.599 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.151 -3.460 23.148 1.00 0.00 H new ATOM 0 H22 DG A 8 0.535 -3.040 22.824 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 8.199 -5.830 23.889 1.00 0.00 O ATOM 255 C5' DC B 1 7.261 -6.830 24.227 1.00 0.00 C ATOM 256 C4' DC B 1 6.022 -6.741 23.329 1.00 0.00 C ATOM 257 O4' DC B 1 5.396 -5.481 23.447 1.00 0.00 O ATOM 258 C3' DC B 1 6.296 -7.006 21.845 1.00 0.00 C ATOM 259 O3' DC B 1 5.921 -8.362 21.636 1.00 0.00 O ATOM 260 C2' DC B 1 5.393 -5.944 21.161 1.00 0.00 C ATOM 261 C1' DC B 1 4.582 -5.324 22.307 1.00 0.00 C ATOM 262 N1 DC B 1 4.245 -3.894 22.094 1.00 0.00 N ATOM 263 C2 DC B 1 2.923 -3.444 22.131 1.00 0.00 C ATOM 264 O2 DC B 1 1.986 -4.221 22.296 1.00 0.00 O ATOM 265 N3 DC B 1 2.689 -2.105 21.978 1.00 0.00 N ATOM 266 C4 DC B 1 3.701 -1.240 21.793 1.00 0.00 C ATOM 267 N4 DC B 1 3.424 0.058 21.627 1.00 0.00 N ATOM 268 C5 DC B 1 5.068 -1.681 21.823 1.00 0.00 C ATOM 269 C6 DC B 1 5.272 -3.007 21.983 1.00 0.00 C ATOM 0 H5' DC B 1 6.967 -6.721 25.271 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.719 -7.814 24.125 1.00 0.00 H new ATOM 0 H4' DC B 1 5.368 -7.536 23.688 1.00 0.00 H new ATOM 0 H3' DC B 1 7.314 -6.910 21.466 1.00 0.00 H new ATOM 0 H2' DC B 1 5.989 -5.191 20.645 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.741 -6.400 20.416 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.733 -5.066 23.489 1.00 0.00 H new ATOM 0 H1' DC B 1 3.614 -5.817 22.397 1.00 0.00 H new ATOM 0 H41 DC B 1 4.181 0.727 21.486 1.00 0.00 H new ATOM 0 H42 DC B 1 2.456 0.379 21.642 1.00 0.00 H new ATOM 0 H5 DC B 1 5.890 -0.988 21.723 1.00 0.00 H new ATOM 0 H6 DC B 1 6.286 -3.377 22.024 1.00 0.00 H new ATOM 282 P DG B 2 5.544 -8.995 20.203 1.00 0.00 P ATOM 283 OP1 DG B 2 5.582 -10.468 20.330 1.00 0.00 O ATOM 284 OP2 DG B 2 6.353 -8.322 19.162 1.00 0.00 O ATOM 285 O5' DG B 2 4.002 -8.547 20.024 1.00 0.00 O ATOM 286 C5' DG B 2 3.024 -8.784 21.023 1.00 0.00 C ATOM 287 C4' DG B 2 1.642 -8.356 20.551 1.00 0.00 C ATOM 288 O4' DG B 2 1.540 -6.949 20.690 1.00 0.00 O ATOM 289 C3' DG B 2 1.345 -8.737 19.095 1.00 0.00 C ATOM 290 O3' DG B 2 0.031 -9.261 19.056 1.00 0.00 O ATOM 291 C2' DG B 2 1.550 -7.373 18.452 1.00 0.00 C ATOM 292 C1' DG B 2 0.949 -6.467 19.515 1.00 0.00 C ATOM 293 N9 DG B 2 1.282 -5.045 19.284 1.00 0.00 N ATOM 294 C8 DG B 2 2.473 -4.540 18.841 1.00 0.00 C ATOM 295 N7 DG B 2 2.533 -3.240 18.813 1.00 0.00 N ATOM 296 C5 DG B 2 1.272 -2.847 19.247 1.00 0.00 C ATOM 297 C6 DG B 2 0.739 -1.537 19.432 1.00 0.00 C ATOM 298 O6 DG B 2 1.330 -0.465 19.340 1.00 0.00 O ATOM 299 N1 DG B 2 -0.615 -1.554 19.754 1.00 0.00 N ATOM 300 C2 DG B 2 -1.347 -2.706 19.976 1.00 0.00 C ATOM 301 N2 DG B 2 -2.642 -2.554 20.273 1.00 0.00 N ATOM 302 N3 DG B 2 -0.820 -3.940 19.895 1.00 0.00 N ATOM 303 C4 DG B 2 0.486 -3.945 19.511 1.00 0.00 C ATOM 0 H5' DG B 2 3.287 -8.239 21.930 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.012 -9.843 21.280 1.00 0.00 H new ATOM 0 H4' DG B 2 0.912 -8.882 21.166 1.00 0.00 H new ATOM 0 H3' DG B 2 1.940 -9.505 18.600 1.00 0.00 H new ATOM 0 H2' DG B 2 2.602 -7.155 18.270 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.036 -7.285 17.495 1.00 0.00 H new ATOM 0 H1' DG B 2 -0.141 -6.490 19.532 1.00 0.00 H new ATOM 0 H8 DG B 2 3.297 -5.169 18.539 1.00 0.00 H new ATOM 0 H1 DG B 2 -1.098 -0.659 19.831 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.225 -3.373 20.446 1.00 0.00 H new ATOM 0 H22 DG B 2 -3.046 -1.619 20.327 1.00 0.00 H new ATOM 315 P DC B 3 -0.783 -9.499 17.693 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.622 -10.707 17.852 1.00 0.00 O ATOM 317 OP2 DC B 3 0.138 -9.382 16.541 1.00 0.00 O ATOM 318 O5' DC B 3 -1.733 -8.201 17.732 1.00 0.00 O ATOM 319 C5' DC B 3 -2.762 -8.080 18.698 1.00 0.00 C ATOM 320 C4' DC B 3 -3.636 -6.870 18.371 1.00 0.00 C ATOM 321 O4' DC B 3 -2.872 -5.685 18.455 1.00 0.00 O ATOM 322 C3' DC B 3 -4.264 -6.963 16.971 1.00 0.00 C ATOM 323 O3' DC B 3 -5.677 -6.887 17.082 1.00 0.00 O ATOM 324 C2' DC B 3 -3.630 -5.792 16.244 1.00 0.00 C ATOM 325 C1' DC B 3 -3.194 -4.855 17.360 1.00 0.00 C ATOM 326 N1 DC B 3 -1.980 -4.126 16.930 1.00 0.00 N ATOM 327 C2 DC B 3 -2.001 -2.740 16.802 1.00 0.00 C ATOM 328 O2 DC B 3 -3.010 -2.081 17.042 1.00 0.00 O ATOM 329 N3 DC B 3 -0.860 -2.118 16.399 1.00 0.00 N ATOM 330 C4 DC B 3 0.254 -2.805 16.109 1.00 0.00 C ATOM 331 N4 DC B 3 1.355 -2.129 15.770 1.00 0.00 N ATOM 332 C5 DC B 3 0.277 -4.236 16.195 1.00 0.00 C ATOM 333 C6 DC B 3 -0.849 -4.838 16.629 1.00 0.00 C ATOM 0 H5' DC B 3 -2.329 -7.970 19.692 1.00 0.00 H new ATOM 0 H5'' DC B 3 -3.369 -8.986 18.713 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.444 -6.855 19.102 1.00 0.00 H new ATOM 0 H3' DC B 3 -4.086 -7.895 16.435 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.782 -6.111 15.637 1.00 0.00 H new ATOM 0 H2'' DC B 3 -4.339 -5.309 15.572 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.969 -4.131 17.613 1.00 0.00 H new ATOM 0 H41 DC B 3 2.213 -2.632 15.546 1.00 0.00 H new ATOM 0 H42 DC B 3 1.337 -1.110 15.736 1.00 0.00 H new ATOM 0 H5 DC B 3 1.154 -4.805 15.925 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.859 -5.912 16.742 1.00 0.00 H new ATOM 345 P DT B 4 -6.664 -6.792 15.803 1.00 0.00 P ATOM 346 OP1 DT B 4 -8.025 -7.172 16.244 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.035 -7.499 14.665 1.00 0.00 O ATOM 348 O5' DT B 4 -6.668 -5.210 15.474 1.00 0.00 O ATOM 349 C5' DT B 4 -6.978 -4.262 16.477 1.00 0.00 C ATOM 350 C4' DT B 4 -6.939 -2.822 15.953 1.00 0.00 C ATOM 351 O4' DT B 4 -5.610 -2.425 15.623 1.00 0.00 O ATOM 352 C3' DT B 4 -7.803 -2.624 14.700 1.00 0.00 C ATOM 353 O3' DT B 4 -8.728 -1.534 14.760 1.00 0.00 O ATOM 354 C2' DT B 4 -6.746 -2.573 13.590 1.00 0.00 C ATOM 355 C1' DT B 4 -5.569 -1.900 14.301 1.00 0.00 C ATOM 356 N1 DT B 4 -4.214 -2.129 13.710 1.00 0.00 N ATOM 357 C2 DT B 4 -3.371 -1.024 13.566 1.00 0.00 C ATOM 358 O2 DT B 4 -3.760 0.140 13.607 1.00 0.00 O ATOM 359 N3 DT B 4 -2.029 -1.294 13.364 1.00 0.00 N ATOM 360 C4 DT B 4 -1.450 -2.544 13.239 1.00 0.00 C ATOM 361 O4 DT B 4 -0.236 -2.637 13.070 1.00 0.00 O ATOM 362 C5 DT B 4 -2.394 -3.646 13.325 1.00 0.00 C ATOM 363 C7 DT B 4 -1.882 -5.076 13.231 1.00 0.00 C ATOM 364 C6 DT B 4 -3.714 -3.403 13.546 1.00 0.00 C ATOM 0 H5' DT B 4 -6.272 -4.365 17.301 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.969 -4.473 16.878 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.334 -2.211 16.764 1.00 0.00 H new ATOM 0 H3' DT B 4 -8.528 -3.422 14.539 1.00 0.00 H new ATOM 0 H2' DT B 4 -6.488 -3.568 13.226 1.00 0.00 H new ATOM 0 H2'' DT B 4 -7.086 -1.997 12.729 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.691 -0.820 14.223 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.404 -0.491 13.301 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.531 -5.733 13.810 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.880 -5.394 12.188 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.868 -5.126 13.627 1.00 0.00 H new ATOM 0 H6 DT B 4 -4.396 -4.239 13.595 1.00 0.00 H new ATOM 377 P DA B 5 -8.431 0.006 15.232 1.00 0.00 P ATOM 378 OP1 DA B 5 -7.409 0.035 16.301 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.744 0.643 15.477 1.00 0.00 O ATOM 380 O5' DA B 5 -7.783 0.722 13.955 1.00 0.00 O ATOM 381 C5' DA B 5 -8.493 0.882 12.747 1.00 0.00 C ATOM 382 C4' DA B 5 -7.615 1.589 11.750 1.00 0.00 C ATOM 383 O4' DA B 5 -6.303 1.055 11.820 1.00 0.00 O ATOM 384 C3' DA B 5 -8.112 1.437 10.301 1.00 0.00 C ATOM 385 O3' DA B 5 -8.034 2.637 9.569 1.00 0.00 O ATOM 386 C2' DA B 5 -7.069 0.506 9.712 1.00 0.00 C ATOM 387 C1' DA B 5 -5.839 0.953 10.502 1.00 0.00 C ATOM 388 N9 DA B 5 -4.668 0.055 10.395 1.00 0.00 N ATOM 389 C8 DA B 5 -4.607 -1.316 10.391 1.00 0.00 C ATOM 390 N7 DA B 5 -3.394 -1.798 10.336 1.00 0.00 N ATOM 391 C5 DA B 5 -2.588 -0.664 10.302 1.00 0.00 C ATOM 392 C6 DA B 5 -1.189 -0.462 10.253 1.00 0.00 C ATOM 393 N6 DA B 5 -0.298 -1.461 10.249 1.00 0.00 N ATOM 394 N1 DA B 5 -0.728 0.802 10.213 1.00 0.00 N ATOM 395 C2 DA B 5 -1.597 1.810 10.248 1.00 0.00 C ATOM 396 N3 DA B 5 -2.920 1.754 10.328 1.00 0.00 N ATOM 397 C4 DA B 5 -3.360 0.469 10.347 1.00 0.00 C ATOM 0 H5' DA B 5 -9.404 1.455 12.919 1.00 0.00 H new ATOM 0 H5'' DA B 5 -8.797 -0.090 12.358 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.636 2.648 12.007 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.151 1.108 10.269 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.309 -0.545 9.874 1.00 0.00 H new ATOM 0 H2'' DA B 5 -6.947 0.643 8.638 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.449 1.890 10.104 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.486 -1.942 10.430 1.00 0.00 H new ATOM 0 H61 DA B 5 0.700 -1.254 10.213 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.617 -2.429 10.282 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.170 2.801 10.206 1.00 0.00 H new ATOM 409 P DG B 6 -9.151 3.783 9.678 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.435 4.064 11.102 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.256 3.453 8.750 1.00 0.00 O ATOM 412 O5' DG B 6 -8.315 5.010 9.071 1.00 0.00 O ATOM 413 C5' DG B 6 -7.031 5.349 9.564 1.00 0.00 C ATOM 414 C4' DG B 6 -5.893 5.087 8.558 1.00 0.00 C ATOM 415 O4' DG B 6 -5.091 3.924 8.776 1.00 0.00 O ATOM 416 C3' DG B 6 -6.280 5.063 7.069 1.00 0.00 C ATOM 417 O3' DG B 6 -6.015 6.326 6.483 1.00 0.00 O ATOM 418 C2' DG B 6 -5.476 3.883 6.540 1.00 0.00 C ATOM 419 C1' DG B 6 -4.382 3.689 7.563 1.00 0.00 C ATOM 420 N9 DG B 6 -3.711 2.375 7.390 1.00 0.00 N ATOM 421 C8 DG B 6 -4.244 1.122 7.195 1.00 0.00 C ATOM 422 N7 DG B 6 -3.362 0.175 7.060 1.00 0.00 N ATOM 423 C5 DG B 6 -2.150 0.847 7.120 1.00 0.00 C ATOM 424 C6 DG B 6 -0.822 0.342 7.027 1.00 0.00 C ATOM 425 O6 DG B 6 -0.472 -0.831 6.966 1.00 0.00 O ATOM 426 N1 DG B 6 0.132 1.356 7.010 1.00 0.00 N ATOM 427 C2 DG B 6 -0.155 2.703 7.111 1.00 0.00 C ATOM 428 N2 DG B 6 0.872 3.557 7.058 1.00 0.00 N ATOM 429 N3 DG B 6 -1.403 3.175 7.248 1.00 0.00 N ATOM 430 C4 DG B 6 -2.354 2.200 7.245 1.00 0.00 C ATOM 0 H5' DG B 6 -6.839 4.780 10.473 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.024 6.403 9.841 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.311 5.982 8.779 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.337 4.919 6.843 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.095 2.991 6.445 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.065 4.092 5.553 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.519 4.351 7.498 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.308 0.939 7.157 1.00 0.00 H new ATOM 0 H1 DG B 6 1.111 1.085 6.916 1.00 0.00 H new ATOM 0 H21 DG B 6 0.705 4.561 7.129 1.00 0.00 H new ATOM 0 H22 DG B 6 1.823 3.205 6.947 1.00 0.00 H new ATOM 442 P DC B 7 -6.022 6.595 4.888 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.414 8.003 4.655 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.753 5.503 4.206 1.00 0.00 O ATOM 445 O5' DC B 7 -4.446 6.448 4.562 1.00 0.00 O ATOM 446 C5' DC B 7 -3.507 7.187 5.319 1.00 0.00 C ATOM 447 C4' DC B 7 -2.080 7.130 4.772 1.00 0.00 C ATOM 448 O4' DC B 7 -1.502 5.863 5.032 1.00 0.00 O ATOM 449 C3' DC B 7 -1.992 7.458 3.285 1.00 0.00 C ATOM 450 O3' DC B 7 -0.927 8.374 3.075 1.00 0.00 O ATOM 451 C2' DC B 7 -1.751 6.072 2.739 1.00 0.00 C ATOM 452 C1' DC B 7 -0.968 5.351 3.832 1.00 0.00 C ATOM 453 N1 DC B 7 -1.222 3.886 3.788 1.00 0.00 N ATOM 454 C2 DC B 7 -0.175 2.961 3.720 1.00 0.00 C ATOM 455 O2 DC B 7 0.997 3.319 3.624 1.00 0.00 O ATOM 456 N3 DC B 7 -0.485 1.629 3.765 1.00 0.00 N ATOM 457 C4 DC B 7 -1.760 1.215 3.876 1.00 0.00 C ATOM 458 N4 DC B 7 -2.023 -0.092 3.938 1.00 0.00 N ATOM 459 C5 DC B 7 -2.839 2.151 3.974 1.00 0.00 C ATOM 460 C6 DC B 7 -2.514 3.456 3.927 1.00 0.00 C ATOM 0 H5' DC B 7 -3.507 6.813 6.343 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.828 8.228 5.360 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.517 7.903 5.294 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.846 7.948 2.818 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.691 5.563 2.525 1.00 0.00 H new ATOM 0 H2'' DC B 7 -1.187 6.107 1.807 1.00 0.00 H new ATOM 0 H1' DC B 7 0.106 5.502 3.726 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.987 -0.415 4.022 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.260 -0.768 3.901 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.863 1.826 4.080 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.302 4.191 4.002 1.00 0.00 H new ATOM 472 P DG B 8 -0.574 8.990 1.625 1.00 0.00 P ATOM 473 OP1 DG B 8 0.279 10.183 1.824 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.822 9.101 0.837 1.00 0.00 O ATOM 475 O5' DG B 8 0.331 7.829 0.975 1.00 0.00 O ATOM 476 C5' DG B 8 1.572 7.463 1.545 1.00 0.00 C ATOM 477 C4' DG B 8 2.187 6.289 0.779 1.00 0.00 C ATOM 478 O4' DG B 8 1.527 5.092 1.153 1.00 0.00 O ATOM 479 C3' DG B 8 2.084 6.416 -0.752 1.00 0.00 C ATOM 480 O3' DG B 8 3.318 6.110 -1.369 1.00 0.00 O ATOM 481 C2' DG B 8 1.052 5.346 -1.091 1.00 0.00 C ATOM 482 C1' DG B 8 1.372 4.320 -0.013 1.00 0.00 C ATOM 483 N9 DG B 8 0.339 3.274 0.159 1.00 0.00 N ATOM 484 C8 DG B 8 -1.030 3.380 0.142 1.00 0.00 C ATOM 485 N7 DG B 8 -1.650 2.257 0.385 1.00 0.00 N ATOM 486 C5 DG B 8 -0.624 1.335 0.569 1.00 0.00 C ATOM 487 C6 DG B 8 -0.672 -0.064 0.858 1.00 0.00 C ATOM 488 O6 DG B 8 -1.663 -0.773 1.019 1.00 0.00 O ATOM 489 N1 DG B 8 0.597 -0.634 0.957 1.00 0.00 N ATOM 490 C2 DG B 8 1.778 0.062 0.784 1.00 0.00 C ATOM 491 N2 DG B 8 2.917 -0.632 0.871 1.00 0.00 N ATOM 492 N3 DG B 8 1.826 1.376 0.525 1.00 0.00 N ATOM 493 C4 DG B 8 0.597 1.952 0.430 1.00 0.00 C ATOM 0 H5' DG B 8 1.432 7.190 2.591 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.253 8.314 1.526 1.00 0.00 H new ATOM 0 H4' DG B 8 3.245 6.284 1.040 1.00 0.00 H new ATOM 0 H3' DG B 8 1.820 7.419 -1.088 1.00 0.00 H new ATOM 0 H2' DG B 8 0.029 5.717 -1.023 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.180 4.947 -2.097 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.228 6.196 -2.341 1.00 0.00 H new ATOM 0 H1' DG B 8 2.260 3.746 -0.277 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.547 4.308 -0.054 1.00 0.00 H new ATOM 0 H1 DG B 8 0.657 -1.629 1.171 1.00 0.00 H new ATOM 0 H21 DG B 8 3.813 -0.159 0.750 1.00 0.00 H new ATOM 0 H22 DG B 8 2.890 -1.634 1.058 1.00 0.00 H new TER 506 DG B 8