USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=9 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 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 G O2' : rot -26:sc= 0.0881 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 C O2' : rot 171:sc= -0.0109 USER MOD Single : B 3 C O2' : rot 180:sc= -0.0677 USER MOD Single : B 4 A O2' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.314) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -11.921 -11.766 -2.396 1.00 0.00 O ATOM 2 C5' DG A 1 -11.680 -10.376 -2.339 1.00 0.00 C ATOM 3 C4' DG A 1 -10.877 -10.045 -1.070 1.00 0.00 C ATOM 4 O4' DG A 1 -9.501 -10.275 -1.292 1.00 0.00 O ATOM 5 C3' DG A 1 -11.004 -8.588 -0.574 1.00 0.00 C ATOM 6 O3' DG A 1 -11.606 -8.621 0.713 1.00 0.00 O ATOM 7 C2' DG A 1 -9.556 -8.083 -0.540 1.00 0.00 C ATOM 8 C1' DG A 1 -8.801 -9.403 -0.430 1.00 0.00 C ATOM 9 N9 DG A 1 -7.372 -9.338 -0.808 1.00 0.00 N ATOM 10 C8 DG A 1 -6.810 -9.232 -2.057 1.00 0.00 C ATOM 11 N7 DG A 1 -5.508 -9.317 -2.064 1.00 0.00 N ATOM 12 C5 DG A 1 -5.176 -9.525 -0.730 1.00 0.00 C ATOM 13 C6 DG A 1 -3.904 -9.748 -0.117 1.00 0.00 C ATOM 14 O6 DG A 1 -2.798 -9.747 -0.650 1.00 0.00 O ATOM 15 N1 DG A 1 -4.006 -9.999 1.250 1.00 0.00 N ATOM 16 C2 DG A 1 -5.198 -10.023 1.950 1.00 0.00 C ATOM 17 N2 DG A 1 -5.137 -10.254 3.265 1.00 0.00 N ATOM 18 N3 DG A 1 -6.390 -9.801 1.379 1.00 0.00 N ATOM 19 C4 DG A 1 -6.314 -9.563 0.042 1.00 0.00 C ATOM 0 H5' DG A 1 -12.625 -9.832 -2.336 1.00 0.00 H new ATOM 0 H5'' DG A 1 -11.130 -10.055 -3.224 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.303 -10.697 -0.308 1.00 0.00 H new ATOM 0 H3' DG A 1 -11.620 -7.937 -1.194 1.00 0.00 H new ATOM 0 H2' DG A 1 -9.290 -7.527 -1.439 1.00 0.00 H new ATOM 0 H2'' DG A 1 -9.367 -7.426 0.309 1.00 0.00 H new ATOM 0 HO5' DG A 1 -12.434 -11.976 -3.204 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.773 -9.727 0.610 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.394 -9.091 -2.954 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.145 -10.177 1.768 1.00 0.00 H new ATOM 0 H21 DG A 1 -5.993 -10.280 3.819 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.234 -10.404 3.715 1.00 0.00 H new ATOM 32 P DC A 2 -11.891 -7.296 1.597 1.00 0.00 P ATOM 33 OP1 DC A 2 -13.038 -7.579 2.488 1.00 0.00 O ATOM 34 OP2 DC A 2 -11.939 -6.131 0.687 1.00 0.00 O ATOM 35 O5' DC A 2 -10.563 -7.167 2.510 1.00 0.00 O ATOM 36 C5' DC A 2 -10.293 -8.072 3.566 1.00 0.00 C ATOM 37 C4' DC A 2 -8.968 -7.711 4.250 1.00 0.00 C ATOM 38 O4' DC A 2 -7.888 -7.891 3.346 1.00 0.00 O ATOM 39 C3' DC A 2 -8.935 -6.255 4.742 1.00 0.00 C ATOM 40 O3' DC A 2 -8.466 -6.272 6.084 1.00 0.00 O ATOM 41 C2' DC A 2 -7.947 -5.649 3.750 1.00 0.00 C ATOM 42 C1' DC A 2 -6.991 -6.830 3.578 1.00 0.00 C ATOM 43 N1 DC A 2 -6.016 -6.677 2.464 1.00 0.00 N ATOM 44 C2 DC A 2 -4.665 -6.959 2.690 1.00 0.00 C ATOM 45 O2 DC A 2 -4.253 -7.316 3.792 1.00 0.00 O ATOM 46 N3 DC A 2 -3.791 -6.842 1.651 1.00 0.00 N ATOM 47 C4 DC A 2 -4.205 -6.474 0.431 1.00 0.00 C ATOM 48 N4 DC A 2 -3.303 -6.400 -0.551 1.00 0.00 N ATOM 49 C5 DC A 2 -5.592 -6.214 0.165 1.00 0.00 C ATOM 50 C6 DC A 2 -6.447 -6.333 1.208 1.00 0.00 C ATOM 0 H5' DC A 2 -10.245 -9.090 3.179 1.00 0.00 H new ATOM 0 H5'' DC A 2 -11.105 -8.046 4.293 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.876 -8.372 5.112 1.00 0.00 H new ATOM 0 H3' DC A 2 -9.874 -5.703 4.768 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.422 -5.357 2.814 1.00 0.00 H new ATOM 0 H2'' DC A 2 -7.449 -4.763 4.145 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.337 -6.961 4.440 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.592 -6.122 -1.489 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.325 -6.621 -0.363 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.937 -5.937 -0.820 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.499 -6.152 1.046 1.00 0.00 H new ATOM 62 P DA A 3 -8.289 -4.951 6.997 1.00 0.00 P ATOM 63 OP1 DA A 3 -9.067 -5.144 8.241 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.519 -3.750 6.165 1.00 0.00 O ATOM 65 O5' DA A 3 -6.717 -5.016 7.365 1.00 0.00 O ATOM 66 C5' DA A 3 -6.193 -6.031 8.206 1.00 0.00 C ATOM 67 C4' DA A 3 -4.688 -5.833 8.424 1.00 0.00 C ATOM 68 O4' DA A 3 -4.016 -5.929 7.182 1.00 0.00 O ATOM 69 C3' DA A 3 -4.365 -4.467 9.037 1.00 0.00 C ATOM 70 O3' DA A 3 -3.338 -4.637 10.005 1.00 0.00 O ATOM 71 C2' DA A 3 -3.909 -3.682 7.815 1.00 0.00 C ATOM 72 C1' DA A 3 -3.205 -4.785 7.029 1.00 0.00 C ATOM 73 N9 DA A 3 -3.088 -4.493 5.587 1.00 0.00 N ATOM 74 C8 DA A 3 -4.106 -4.268 4.701 1.00 0.00 C ATOM 75 N7 DA A 3 -3.727 -4.151 3.459 1.00 0.00 N ATOM 76 C5 DA A 3 -2.352 -4.350 3.522 1.00 0.00 C ATOM 77 C6 DA A 3 -1.342 -4.408 2.538 1.00 0.00 C ATOM 78 N6 DA A 3 -1.583 -4.260 1.231 1.00 0.00 N ATOM 79 N1 DA A 3 -0.077 -4.642 2.935 1.00 0.00 N ATOM 80 C2 DA A 3 0.179 -4.813 4.229 1.00 0.00 C ATOM 81 N3 DA A 3 -0.679 -4.798 5.245 1.00 0.00 N ATOM 82 C4 DA A 3 -1.950 -4.559 4.819 1.00 0.00 C ATOM 0 H5' DA A 3 -6.375 -7.009 7.760 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.709 -6.017 9.166 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.358 -6.608 9.115 1.00 0.00 H new ATOM 0 H3' DA A 3 -5.180 -3.969 9.562 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.744 -3.248 7.265 1.00 0.00 H new ATOM 0 H2'' DA A 3 -3.238 -2.863 8.074 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.188 -4.901 7.405 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.139 -4.193 5.006 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.815 -4.311 0.562 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.535 -4.096 0.903 1.00 0.00 H new ATOM 0 H2 DA A 3 1.213 -4.986 4.487 1.00 0.00 H new ATOM 94 P DG A 4 -2.705 -3.407 10.842 1.00 0.00 P ATOM 95 OP1 DG A 4 -2.243 -3.931 12.146 1.00 0.00 O ATOM 96 OP2 DG A 4 -3.655 -2.274 10.802 1.00 0.00 O ATOM 97 O5' DG A 4 -1.407 -3.007 9.968 1.00 0.00 O ATOM 98 C5' DG A 4 -0.237 -3.806 9.979 1.00 0.00 C ATOM 99 C4' DG A 4 0.855 -3.201 9.091 1.00 0.00 C ATOM 100 O4' DG A 4 0.452 -3.231 7.736 1.00 0.00 O ATOM 101 C3' DG A 4 1.185 -1.740 9.435 1.00 0.00 C ATOM 102 O3' DG A 4 2.483 -1.671 10.015 1.00 0.00 O ATOM 103 C2' DG A 4 1.108 -1.046 8.079 1.00 0.00 C ATOM 104 C1' DG A 4 1.152 -2.194 7.089 1.00 0.00 C ATOM 105 N9 DG A 4 0.507 -1.840 5.813 1.00 0.00 N ATOM 106 C8 DG A 4 -0.823 -1.640 5.575 1.00 0.00 C ATOM 107 N7 DG A 4 -1.120 -1.458 4.318 1.00 0.00 N ATOM 108 C5 DG A 4 0.111 -1.543 3.672 1.00 0.00 C ATOM 109 C6 DG A 4 0.432 -1.489 2.281 1.00 0.00 C ATOM 110 O6 DG A 4 -0.334 -1.332 1.333 1.00 0.00 O ATOM 111 N1 DG A 4 1.797 -1.642 2.044 1.00 0.00 N ATOM 112 C2 DG A 4 2.747 -1.823 3.033 1.00 0.00 C ATOM 113 N2 DG A 4 4.026 -1.917 2.659 1.00 0.00 N ATOM 114 N3 DG A 4 2.444 -1.893 4.337 1.00 0.00 N ATOM 115 C4 DG A 4 1.116 -1.752 4.587 1.00 0.00 C ATOM 0 H5' DG A 4 -0.476 -4.811 9.632 1.00 0.00 H new ATOM 0 H5'' DG A 4 0.132 -3.901 11.000 1.00 0.00 H new ATOM 0 H4' DG A 4 1.743 -3.808 9.267 1.00 0.00 H new ATOM 0 H3' DG A 4 0.518 -1.279 10.163 1.00 0.00 H new ATOM 0 H2' DG A 4 0.192 -0.464 7.978 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.941 -0.358 7.933 1.00 0.00 H new ATOM 0 H1' DG A 4 2.174 -2.471 6.828 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.565 -1.633 6.360 1.00 0.00 H new ATOM 0 H1 DG A 4 2.117 -1.619 1.076 1.00 0.00 H new ATOM 0 H21 DG A 4 4.754 -2.051 3.361 1.00 0.00 H new ATOM 0 H22 DG A 4 4.274 -1.855 1.672 1.00 0.00 H new ATOM 127 P DT A 5 3.154 -0.287 10.533 1.00 0.00 P ATOM 128 OP1 DT A 5 4.300 -0.637 11.401 1.00 0.00 O ATOM 129 OP2 DT A 5 2.077 0.581 11.059 1.00 0.00 O ATOM 130 O5' DT A 5 3.739 0.402 9.191 1.00 0.00 O ATOM 131 C5' DT A 5 4.827 -0.159 8.477 1.00 0.00 C ATOM 132 C4' DT A 5 5.087 0.591 7.161 1.00 0.00 C ATOM 133 O4' DT A 5 4.036 0.397 6.231 1.00 0.00 O ATOM 134 C3' DT A 5 5.230 2.111 7.346 1.00 0.00 C ATOM 135 O3' DT A 5 6.570 2.481 7.044 1.00 0.00 O ATOM 136 C2' DT A 5 4.209 2.690 6.372 1.00 0.00 C ATOM 137 C1' DT A 5 4.013 1.538 5.395 1.00 0.00 C ATOM 138 N1 DT A 5 2.742 1.605 4.623 1.00 0.00 N ATOM 139 C2 DT A 5 2.788 1.521 3.229 1.00 0.00 C ATOM 140 O2 DT A 5 3.832 1.442 2.586 1.00 0.00 O ATOM 141 N3 DT A 5 1.567 1.525 2.573 1.00 0.00 N ATOM 142 C4 DT A 5 0.319 1.629 3.169 1.00 0.00 C ATOM 143 O4 DT A 5 -0.693 1.621 2.473 1.00 0.00 O ATOM 144 C5 DT A 5 0.355 1.705 4.620 1.00 0.00 C ATOM 145 C7 DT A 5 -0.940 1.822 5.400 1.00 0.00 C ATOM 146 C6 DT A 5 1.539 1.683 5.283 1.00 0.00 C ATOM 0 H5' DT A 5 4.621 -1.208 8.264 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.723 -0.130 9.096 1.00 0.00 H new ATOM 0 H4' DT A 5 6.025 0.174 6.794 1.00 0.00 H new ATOM 0 H3' DT A 5 5.043 2.474 8.357 1.00 0.00 H new ATOM 0 H2' DT A 5 3.279 2.964 6.871 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.581 3.586 5.876 1.00 0.00 H new ATOM 0 H1' DT A 5 4.781 1.544 4.622 1.00 0.00 H new ATOM 0 H3 DT A 5 1.588 1.444 1.556 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.820 1.352 6.376 1.00 0.00 H new ATOM 0 H72 DT A 5 -1.191 2.874 5.532 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.740 1.324 4.853 1.00 0.00 H new ATOM 0 H6 DT A 5 1.536 1.728 6.362 1.00 0.00 H new ATOM 159 P DG A 6 7.102 4.009 7.097 1.00 0.00 P ATOM 160 OP1 DG A 6 8.565 3.977 7.321 1.00 0.00 O ATOM 161 OP2 DG A 6 6.237 4.773 8.024 1.00 0.00 O ATOM 162 O5' DG A 6 6.834 4.554 5.598 1.00 0.00 O ATOM 163 C5' DG A 6 7.643 4.157 4.505 1.00 0.00 C ATOM 164 C4' DG A 6 7.146 4.799 3.203 1.00 0.00 C ATOM 165 O4' DG A 6 5.873 4.296 2.854 1.00 0.00 O ATOM 166 C3' DG A 6 7.033 6.328 3.292 1.00 0.00 C ATOM 167 O3' DG A 6 7.921 6.879 2.324 1.00 0.00 O ATOM 168 C2' DG A 6 5.561 6.580 2.989 1.00 0.00 C ATOM 169 C1' DG A 6 5.183 5.338 2.201 1.00 0.00 C ATOM 170 N9 DG A 6 3.740 5.062 2.210 1.00 0.00 N ATOM 171 C8 DG A 6 2.918 4.904 3.288 1.00 0.00 C ATOM 172 N7 DG A 6 1.681 4.626 2.981 1.00 0.00 N ATOM 173 C5 DG A 6 1.688 4.596 1.588 1.00 0.00 C ATOM 174 C6 DG A 6 0.626 4.371 0.660 1.00 0.00 C ATOM 175 O6 DG A 6 -0.545 4.095 0.902 1.00 0.00 O ATOM 176 N1 DG A 6 1.038 4.511 -0.665 1.00 0.00 N ATOM 177 C2 DG A 6 2.332 4.805 -1.054 1.00 0.00 C ATOM 178 N2 DG A 6 2.567 4.955 -2.359 1.00 0.00 N ATOM 179 N3 DG A 6 3.337 4.976 -0.187 1.00 0.00 N ATOM 180 C4 DG A 6 2.947 4.867 1.111 1.00 0.00 C ATOM 0 H5' DG A 6 7.628 3.071 4.410 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.678 4.447 4.688 1.00 0.00 H new ATOM 0 H4' DG A 6 7.891 4.546 2.448 1.00 0.00 H new ATOM 0 H3' DG A 6 7.307 6.780 4.245 1.00 0.00 H new ATOM 0 H2' DG A 6 4.969 6.682 3.899 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.414 7.491 2.409 1.00 0.00 H new ATOM 0 H1' DG A 6 5.443 5.454 1.149 1.00 0.00 H new ATOM 0 H8 DG A 6 3.262 5.001 4.307 1.00 0.00 H new ATOM 0 H1 DG A 6 0.338 4.388 -1.396 1.00 0.00 H new ATOM 0 H21 DG A 6 3.508 5.172 -2.686 1.00 0.00 H new ATOM 0 H22 DG A 6 1.805 4.852 -3.029 1.00 0.00 H new ATOM 192 P DG A 7 7.981 8.450 1.949 1.00 0.00 P ATOM 193 OP1 DG A 7 9.327 8.739 1.405 1.00 0.00 O ATOM 194 OP2 DG A 7 7.473 9.227 3.101 1.00 0.00 O ATOM 195 O5' DG A 7 6.912 8.579 0.741 1.00 0.00 O ATOM 196 C5' DG A 7 7.160 8.028 -0.542 1.00 0.00 C ATOM 197 C4' DG A 7 6.019 8.382 -1.505 1.00 0.00 C ATOM 198 O4' DG A 7 4.821 7.723 -1.126 1.00 0.00 O ATOM 199 C3' DG A 7 5.743 9.892 -1.538 1.00 0.00 C ATOM 200 O3' DG A 7 5.822 10.352 -2.883 1.00 0.00 O ATOM 201 C2' DG A 7 4.320 9.948 -0.993 1.00 0.00 C ATOM 202 C1' DG A 7 3.756 8.599 -1.422 1.00 0.00 C ATOM 203 N9 DG A 7 2.522 8.212 -0.699 1.00 0.00 N ATOM 204 C8 DG A 7 2.367 7.999 0.644 1.00 0.00 C ATOM 205 N7 DG A 7 1.169 7.635 1.002 1.00 0.00 N ATOM 206 C5 DG A 7 0.468 7.591 -0.195 1.00 0.00 C ATOM 207 C6 DG A 7 -0.899 7.258 -0.442 1.00 0.00 C ATOM 208 O6 DG A 7 -1.742 6.879 0.366 1.00 0.00 O ATOM 209 N1 DG A 7 -1.254 7.426 -1.776 1.00 0.00 N ATOM 210 C2 DG A 7 -0.376 7.811 -2.772 1.00 0.00 C ATOM 211 N2 DG A 7 -0.891 8.006 -3.990 1.00 0.00 N ATOM 212 N3 DG A 7 0.925 8.062 -2.553 1.00 0.00 N ATOM 213 C4 DG A 7 1.284 7.950 -1.245 1.00 0.00 C ATOM 0 H5' DG A 7 7.258 6.945 -0.467 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.104 8.408 -0.932 1.00 0.00 H new ATOM 0 H4' DG A 7 6.337 8.055 -2.495 1.00 0.00 H new ATOM 0 H3' DG A 7 6.439 10.514 -0.974 1.00 0.00 H new ATOM 0 H2' DG A 7 4.304 10.070 0.090 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.755 10.778 -1.416 1.00 0.00 H new ATOM 0 H1' DG A 7 3.444 8.596 -2.466 1.00 0.00 H new ATOM 0 H8 DG A 7 3.174 8.123 1.351 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.225 7.254 -2.036 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.286 8.291 -4.760 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.889 7.870 -4.149 1.00 0.00 H new ATOM 225 P DC A 8 5.505 11.882 -3.320 1.00 0.00 P ATOM 226 OP1 DC A 8 6.221 12.151 -4.586 1.00 0.00 O ATOM 227 OP2 DC A 8 5.736 12.759 -2.150 1.00 0.00 O ATOM 228 O5' DC A 8 3.914 11.879 -3.634 1.00 0.00 O ATOM 229 C5' DC A 8 3.386 11.189 -4.752 1.00 0.00 C ATOM 230 C4' DC A 8 1.881 11.425 -4.944 1.00 0.00 C ATOM 231 O4' DC A 8 1.154 10.730 -3.954 1.00 0.00 O ATOM 232 C3' DC A 8 1.422 12.893 -4.853 1.00 0.00 C ATOM 233 O3' DC A 8 1.113 13.398 -6.136 1.00 0.00 O ATOM 234 C2' DC A 8 0.166 12.845 -3.976 1.00 0.00 C ATOM 235 C1' DC A 8 -0.111 11.350 -3.827 1.00 0.00 C ATOM 236 N1 DC A 8 -0.717 11.036 -2.505 1.00 0.00 N ATOM 237 C2 DC A 8 -2.084 10.777 -2.416 1.00 0.00 C ATOM 238 O2 DC A 8 -2.807 10.854 -3.406 1.00 0.00 O ATOM 239 N3 DC A 8 -2.605 10.436 -1.201 1.00 0.00 N ATOM 240 C4 DC A 8 -1.826 10.348 -0.111 1.00 0.00 C ATOM 241 N4 DC A 8 -2.382 9.968 1.044 1.00 0.00 N ATOM 242 C5 DC A 8 -0.415 10.615 -0.179 1.00 0.00 C ATOM 243 C6 DC A 8 0.080 10.956 -1.392 1.00 0.00 C ATOM 0 H5' DC A 8 3.569 10.121 -4.633 1.00 0.00 H new ATOM 0 H5'' DC A 8 3.916 11.505 -5.651 1.00 0.00 H new ATOM 0 H4' DC A 8 1.690 11.074 -5.958 1.00 0.00 H new ATOM 0 H3' DC A 8 2.193 13.545 -4.442 1.00 0.00 H new ATOM 0 H2' DC A 8 0.334 13.320 -3.009 1.00 0.00 H new ATOM 0 H2'' DC A 8 -0.671 13.363 -4.445 1.00 0.00 H new ATOM 0 HO3' DC A 8 0.822 14.331 -6.059 1.00 0.00 H new ATOM 0 H1' DC A 8 -0.823 10.999 -4.574 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.810 9.894 1.885 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.378 9.752 1.084 1.00 0.00 H new ATOM 0 H5 DC A 8 0.218 10.547 0.693 1.00 0.00 H new ATOM 0 H6 DC A 8 1.134 11.171 -1.486 1.00 0.00 H new TER 256 DC A 8 ATOM 257 O5' G B 1 -14.048 6.289 -1.289 1.00 0.00 O ATOM 258 C5' G B 1 -13.358 7.391 -0.738 1.00 0.00 C ATOM 259 C4' G B 1 -12.537 8.110 -1.798 1.00 0.00 C ATOM 260 O4' G B 1 -11.767 9.170 -1.234 1.00 0.00 O ATOM 261 C3' G B 1 -11.541 7.193 -2.510 1.00 0.00 C ATOM 262 O3' G B 1 -12.105 6.428 -3.561 1.00 0.00 O ATOM 263 C2' G B 1 -10.597 8.251 -3.042 1.00 0.00 C ATOM 264 O2' G B 1 -11.165 8.920 -4.152 1.00 0.00 O ATOM 265 C1' G B 1 -10.498 9.225 -1.880 1.00 0.00 C ATOM 266 N9 G B 1 -9.398 8.979 -0.924 1.00 0.00 N ATOM 267 C8 G B 1 -9.439 8.477 0.350 1.00 0.00 C ATOM 268 N7 G B 1 -8.303 8.549 0.990 1.00 0.00 N ATOM 269 C5 G B 1 -7.440 9.147 0.077 1.00 0.00 C ATOM 270 C6 G B 1 -6.050 9.469 0.180 1.00 0.00 C ATOM 271 O6 G B 1 -5.296 9.294 1.134 1.00 0.00 O ATOM 272 N1 G B 1 -5.546 10.037 -0.990 1.00 0.00 N ATOM 273 C2 G B 1 -6.302 10.294 -2.120 1.00 0.00 C ATOM 274 N2 G B 1 -5.682 10.830 -3.174 1.00 0.00 N ATOM 275 N3 G B 1 -7.606 10.001 -2.215 1.00 0.00 N ATOM 276 C4 G B 1 -8.109 9.423 -1.091 1.00 0.00 C ATOM 0 H5' G B 1 -12.703 7.050 0.064 1.00 0.00 H new ATOM 0 H5'' G B 1 -14.071 8.085 -0.293 1.00 0.00 H new ATOM 0 H4' G B 1 -13.275 8.483 -2.508 1.00 0.00 H new ATOM 0 H3' G B 1 -11.108 6.422 -1.872 1.00 0.00 H new ATOM 0 H2' G B 1 -9.643 7.838 -3.372 1.00 0.00 H new ATOM 0 HO2' G B 1 -11.814 8.332 -4.591 1.00 0.00 H new ATOM 0 HO5' G B 1 -14.566 5.843 -0.587 1.00 0.00 H new ATOM 0 H1' G B 1 -10.251 10.212 -2.271 1.00 0.00 H new ATOM 0 H8 G B 1 -10.333 8.058 0.787 1.00 0.00 H new ATOM 0 H1 G B 1 -4.555 10.279 -1.014 1.00 0.00 H new ATOM 0 H21 G B 1 -6.206 11.034 -4.025 1.00 0.00 H new ATOM 0 H22 G B 1 -4.684 11.036 -3.128 1.00 0.00 H new ATOM 289 P C B 2 -11.340 5.144 -4.177 1.00 0.00 P ATOM 290 OP1 C B 2 -12.089 4.706 -5.375 1.00 0.00 O ATOM 291 OP2 C B 2 -11.120 4.193 -3.065 1.00 0.00 O ATOM 292 O5' C B 2 -9.893 5.689 -4.653 1.00 0.00 O ATOM 293 C5' C B 2 -9.679 6.303 -5.914 1.00 0.00 C ATOM 294 C4' C B 2 -8.212 6.739 -6.040 1.00 0.00 C ATOM 295 O4' C B 2 -7.816 7.541 -4.932 1.00 0.00 O ATOM 296 C3' C B 2 -7.265 5.543 -6.044 1.00 0.00 C ATOM 297 O3' C B 2 -7.073 4.950 -7.322 1.00 0.00 O ATOM 298 C2' C B 2 -5.991 6.193 -5.533 1.00 0.00 C ATOM 299 O2' C B 2 -5.192 6.663 -6.601 1.00 0.00 O ATOM 300 C1' C B 2 -6.416 7.410 -4.723 1.00 0.00 C ATOM 301 N1 C B 2 -6.006 7.248 -3.299 1.00 0.00 N ATOM 302 C2 C B 2 -4.646 7.382 -2.995 1.00 0.00 C ATOM 303 O2 C B 2 -3.846 7.828 -3.815 1.00 0.00 O ATOM 304 N3 C B 2 -4.210 6.991 -1.765 1.00 0.00 N ATOM 305 C4 C B 2 -5.061 6.498 -0.855 1.00 0.00 C ATOM 306 N4 C B 2 -4.576 6.119 0.331 1.00 0.00 N ATOM 307 C5 C B 2 -6.473 6.442 -1.111 1.00 0.00 C ATOM 308 C6 C B 2 -6.895 6.839 -2.335 1.00 0.00 C ATOM 0 H5' C B 2 -10.335 7.167 -6.024 1.00 0.00 H new ATOM 0 H5'' C B 2 -9.931 5.607 -6.715 1.00 0.00 H new ATOM 0 H4' C B 2 -8.150 7.291 -6.978 1.00 0.00 H new ATOM 0 H3' C B 2 -7.637 4.705 -5.454 1.00 0.00 H new ATOM 0 H2' C B 2 -5.420 5.466 -4.955 1.00 0.00 H new ATOM 0 HO2' C B 2 -4.457 7.205 -6.246 1.00 0.00 H new ATOM 0 H1' C B 2 -5.929 8.333 -5.036 1.00 0.00 H new ATOM 0 H41 C B 2 -5.203 5.740 1.041 1.00 0.00 H new ATOM 0 H42 C B 2 -3.579 6.208 0.526 1.00 0.00 H new ATOM 0 H5 C B 2 -7.168 6.098 -0.360 1.00 0.00 H new ATOM 0 H6 C B 2 -7.952 6.834 -2.558 1.00 0.00 H new ATOM 320 P C B 3 -6.161 3.618 -7.522 1.00 0.00 P ATOM 321 OP1 C B 3 -6.447 3.088 -8.874 1.00 0.00 O ATOM 322 OP2 C B 3 -6.378 2.749 -6.344 1.00 0.00 O ATOM 323 O5' C B 3 -4.608 4.094 -7.493 1.00 0.00 O ATOM 324 C5' C B 3 -3.976 4.682 -8.621 1.00 0.00 C ATOM 325 C4' C B 3 -2.488 4.993 -8.371 1.00 0.00 C ATOM 326 O4' C B 3 -2.286 5.933 -7.317 1.00 0.00 O ATOM 327 C3' C B 3 -1.675 3.755 -7.992 1.00 0.00 C ATOM 328 O3' C B 3 -1.292 2.969 -9.109 1.00 0.00 O ATOM 329 C2' C B 3 -0.487 4.432 -7.330 1.00 0.00 C ATOM 330 O2' C B 3 0.403 4.977 -8.283 1.00 0.00 O ATOM 331 C1' C B 3 -1.129 5.578 -6.555 1.00 0.00 C ATOM 332 N1 C B 3 -1.463 5.178 -5.157 1.00 0.00 N ATOM 333 C2 C B 3 -0.414 4.911 -4.274 1.00 0.00 C ATOM 334 O2 C B 3 0.753 5.091 -4.614 1.00 0.00 O ATOM 335 N3 C B 3 -0.709 4.457 -3.021 1.00 0.00 N ATOM 336 C4 C B 3 -1.980 4.254 -2.641 1.00 0.00 C ATOM 337 N4 C B 3 -2.231 3.811 -1.405 1.00 0.00 N ATOM 338 C5 C B 3 -3.072 4.572 -3.511 1.00 0.00 C ATOM 339 C6 C B 3 -2.760 5.036 -4.743 1.00 0.00 C ATOM 0 H5' C B 3 -4.496 5.603 -8.886 1.00 0.00 H new ATOM 0 H5'' C B 3 -4.064 4.009 -9.474 1.00 0.00 H new ATOM 0 H4' C B 3 -2.150 5.401 -9.324 1.00 0.00 H new ATOM 0 H3' C B 3 -2.210 3.033 -7.375 1.00 0.00 H new ATOM 0 H2' C B 3 0.091 3.735 -6.723 1.00 0.00 H new ATOM 0 HO2' C B 3 1.154 5.405 -7.822 1.00 0.00 H new ATOM 0 H1' C B 3 -0.455 6.427 -6.441 1.00 0.00 H new ATOM 0 H41 C B 3 -3.193 3.653 -1.105 1.00 0.00 H new ATOM 0 H42 C B 3 -1.460 3.631 -0.762 1.00 0.00 H new ATOM 0 H5 C B 3 -4.098 4.447 -3.198 1.00 0.00 H new ATOM 0 H6 C B 3 -3.558 5.302 -5.420 1.00 0.00 H new ATOM 351 P A B 4 -0.689 1.476 -8.940 1.00 0.00 P ATOM 352 OP1 A B 4 -0.321 0.983 -10.286 1.00 0.00 O ATOM 353 OP2 A B 4 -1.640 0.699 -8.115 1.00 0.00 O ATOM 354 O5' A B 4 0.668 1.648 -8.081 1.00 0.00 O ATOM 355 C5' A B 4 1.878 2.110 -8.652 1.00 0.00 C ATOM 356 C4' A B 4 2.934 2.282 -7.550 1.00 0.00 C ATOM 357 O4' A B 4 2.428 3.013 -6.437 1.00 0.00 O ATOM 358 C3' A B 4 3.419 0.938 -7.020 1.00 0.00 C ATOM 359 O3' A B 4 4.440 0.401 -7.849 1.00 0.00 O ATOM 360 C2' A B 4 3.913 1.373 -5.649 1.00 0.00 C ATOM 361 O2' A B 4 5.234 1.866 -5.679 1.00 0.00 O ATOM 362 C1' A B 4 2.941 2.461 -5.232 1.00 0.00 C ATOM 363 N9 A B 4 1.857 1.978 -4.337 1.00 0.00 N ATOM 364 C8 A B 4 0.525 1.770 -4.600 1.00 0.00 C ATOM 365 N7 A B 4 -0.192 1.479 -3.549 1.00 0.00 N ATOM 366 C5 A B 4 0.728 1.491 -2.507 1.00 0.00 C ATOM 367 C6 A B 4 0.610 1.307 -1.112 1.00 0.00 C ATOM 368 N6 A B 4 -0.559 1.090 -0.499 1.00 0.00 N ATOM 369 N1 A B 4 1.724 1.378 -0.359 1.00 0.00 N ATOM 370 C2 A B 4 2.890 1.628 -0.951 1.00 0.00 C ATOM 371 N3 A B 4 3.130 1.836 -2.243 1.00 0.00 N ATOM 372 C4 A B 4 1.987 1.760 -2.982 1.00 0.00 C ATOM 0 H5' A B 4 1.712 3.059 -9.162 1.00 0.00 H new ATOM 0 H5'' A B 4 2.232 1.402 -9.402 1.00 0.00 H new ATOM 0 H4' A B 4 3.755 2.827 -8.016 1.00 0.00 H new ATOM 0 H3' A B 4 2.682 0.135 -6.990 1.00 0.00 H new ATOM 0 H2' A B 4 3.944 0.535 -4.953 1.00 0.00 H new ATOM 0 HO2' A B 4 5.504 2.133 -4.776 1.00 0.00 H new ATOM 0 H1' A B 4 3.458 3.212 -4.634 1.00 0.00 H new ATOM 0 H8 A B 4 0.106 1.841 -5.593 1.00 0.00 H new ATOM 0 H61 A B 4 -0.589 0.963 0.513 1.00 0.00 H new ATOM 0 H62 A B 4 -1.421 1.051 -1.043 1.00 0.00 H new ATOM 0 H2 A B 4 3.751 1.667 -0.300 1.00 0.00 H new ATOM 384 P DC B 5 4.806 -1.172 -7.871 1.00 0.00 P ATOM 385 OP1 DC B 5 5.929 -1.366 -8.815 1.00 0.00 O ATOM 386 OP2 DC B 5 3.550 -1.928 -8.064 1.00 0.00 O ATOM 387 O5' DC B 5 5.342 -1.480 -6.386 1.00 0.00 O ATOM 388 C5' DC B 5 6.637 -1.108 -5.947 1.00 0.00 C ATOM 389 C4' DC B 5 6.672 -1.312 -4.429 1.00 0.00 C ATOM 390 O4' DC B 5 5.507 -0.742 -3.865 1.00 0.00 O ATOM 391 C3' DC B 5 6.707 -2.794 -4.061 1.00 0.00 C ATOM 392 O3' DC B 5 8.029 -3.160 -3.685 1.00 0.00 O ATOM 393 C2' DC B 5 5.713 -2.879 -2.919 1.00 0.00 C ATOM 394 C1' DC B 5 5.174 -1.472 -2.704 1.00 0.00 C ATOM 395 N1 DC B 5 3.712 -1.538 -2.430 1.00 0.00 N ATOM 396 C2 DC B 5 3.304 -1.819 -1.126 1.00 0.00 C ATOM 397 O2 DC B 5 4.122 -1.958 -0.221 1.00 0.00 O ATOM 398 N3 DC B 5 1.971 -1.943 -0.870 1.00 0.00 N ATOM 399 C4 DC B 5 1.063 -1.839 -1.849 1.00 0.00 C ATOM 400 N4 DC B 5 -0.231 -1.945 -1.531 1.00 0.00 N ATOM 401 C5 DC B 5 1.461 -1.595 -3.207 1.00 0.00 C ATOM 402 C6 DC B 5 2.787 -1.458 -3.441 1.00 0.00 C ATOM 0 H5' DC B 5 6.847 -0.069 -6.201 1.00 0.00 H new ATOM 0 H5'' DC B 5 7.399 -1.716 -6.435 1.00 0.00 H new ATOM 0 H4' DC B 5 7.574 -0.836 -4.044 1.00 0.00 H new ATOM 0 H3' DC B 5 6.446 -3.477 -4.869 1.00 0.00 H new ATOM 0 H2' DC B 5 4.905 -3.570 -3.159 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.193 -3.252 -2.014 1.00 0.00 H new ATOM 0 H1' DC B 5 5.609 -0.971 -1.839 1.00 0.00 H new ATOM 0 H41 DC B 5 -0.943 -1.869 -2.258 1.00 0.00 H new ATOM 0 H42 DC B 5 -0.507 -2.101 -0.562 1.00 0.00 H new ATOM 0 H5 DC B 5 0.736 -1.524 -4.004 1.00 0.00 H new ATOM 0 H6 DC B 5 3.127 -1.281 -4.451 1.00 0.00 H new ATOM 414 P DT B 6 8.460 -4.675 -3.303 1.00 0.00 P ATOM 415 OP1 DT B 6 9.937 -4.747 -3.343 1.00 0.00 O ATOM 416 OP2 DT B 6 7.661 -5.605 -4.132 1.00 0.00 O ATOM 417 O5' DT B 6 7.998 -4.863 -1.766 1.00 0.00 O ATOM 418 C5' DT B 6 8.565 -4.109 -0.706 1.00 0.00 C ATOM 419 C4' DT B 6 7.856 -4.480 0.602 1.00 0.00 C ATOM 420 O4' DT B 6 6.470 -4.245 0.456 1.00 0.00 O ATOM 421 C3' DT B 6 8.069 -5.948 0.990 1.00 0.00 C ATOM 422 O3' DT B 6 8.557 -6.000 2.328 1.00 0.00 O ATOM 423 C2' DT B 6 6.657 -6.506 0.867 1.00 0.00 C ATOM 424 C1' DT B 6 5.804 -5.271 1.150 1.00 0.00 C ATOM 425 N1 DT B 6 4.396 -5.353 0.684 1.00 0.00 N ATOM 426 C2 DT B 6 3.361 -5.087 1.583 1.00 0.00 C ATOM 427 O2 DT B 6 3.527 -4.961 2.794 1.00 0.00 O ATOM 428 N3 DT B 6 2.092 -4.970 1.037 1.00 0.00 N ATOM 429 C4 DT B 6 1.758 -5.119 -0.299 1.00 0.00 C ATOM 430 O4 DT B 6 0.589 -5.003 -0.659 1.00 0.00 O ATOM 431 C5 DT B 6 2.888 -5.400 -1.168 1.00 0.00 C ATOM 432 C7 DT B 6 2.659 -5.556 -2.658 1.00 0.00 C ATOM 433 C6 DT B 6 4.140 -5.503 -0.655 1.00 0.00 C ATOM 0 H5' DT B 6 8.458 -3.042 -0.903 1.00 0.00 H new ATOM 0 H5'' DT B 6 9.633 -4.313 -0.627 1.00 0.00 H new ATOM 0 H4' DT B 6 8.282 -3.863 1.393 1.00 0.00 H new ATOM 0 H3' DT B 6 8.790 -6.501 0.387 1.00 0.00 H new ATOM 0 H2' DT B 6 6.465 -6.916 -0.124 1.00 0.00 H new ATOM 0 H2'' DT B 6 6.470 -7.305 1.584 1.00 0.00 H new ATOM 0 H1' DT B 6 5.713 -5.125 2.226 1.00 0.00 H new ATOM 0 H3 DT B 6 1.331 -4.753 1.681 1.00 0.00 H new ATOM 0 H71 DT B 6 1.658 -5.951 -2.833 1.00 0.00 H new ATOM 0 H72 DT B 6 2.756 -4.585 -3.145 1.00 0.00 H new ATOM 0 H73 DT B 6 3.398 -6.243 -3.070 1.00 0.00 H new ATOM 0 H6 DT B 6 4.963 -5.710 -1.324 1.00 0.00 H new ATOM 446 P DG B 7 8.813 -7.384 3.132 1.00 0.00 P ATOM 447 OP1 DG B 7 9.780 -7.105 4.217 1.00 0.00 O ATOM 448 OP2 DG B 7 9.110 -8.443 2.143 1.00 0.00 O ATOM 449 O5' DG B 7 7.379 -7.720 3.810 1.00 0.00 O ATOM 450 C5' DG B 7 6.899 -7.014 4.941 1.00 0.00 C ATOM 451 C4' DG B 7 5.552 -7.566 5.436 1.00 0.00 C ATOM 452 O4' DG B 7 4.497 -7.247 4.545 1.00 0.00 O ATOM 453 C3' DG B 7 5.548 -9.097 5.594 1.00 0.00 C ATOM 454 O3' DG B 7 5.248 -9.406 6.951 1.00 0.00 O ATOM 455 C2' DG B 7 4.475 -9.545 4.611 1.00 0.00 C ATOM 456 C1' DG B 7 3.574 -8.319 4.582 1.00 0.00 C ATOM 457 N9 DG B 7 2.669 -8.269 3.424 1.00 0.00 N ATOM 458 C8 DG B 7 3.031 -8.353 2.122 1.00 0.00 C ATOM 459 N7 DG B 7 2.062 -8.185 1.268 1.00 0.00 N ATOM 460 C5 DG B 7 0.952 -7.982 2.084 1.00 0.00 C ATOM 461 C6 DG B 7 -0.414 -7.752 1.738 1.00 0.00 C ATOM 462 O6 DG B 7 -0.896 -7.611 0.618 1.00 0.00 O ATOM 463 N1 DG B 7 -1.244 -7.702 2.857 1.00 0.00 N ATOM 464 C2 DG B 7 -0.803 -7.815 4.163 1.00 0.00 C ATOM 465 N2 DG B 7 -1.722 -7.765 5.132 1.00 0.00 N ATOM 466 N3 DG B 7 0.488 -7.980 4.492 1.00 0.00 N ATOM 467 C4 DG B 7 1.311 -8.061 3.411 1.00 0.00 C ATOM 0 H5' DG B 7 6.788 -5.959 4.690 1.00 0.00 H new ATOM 0 H5'' DG B 7 7.633 -7.075 5.745 1.00 0.00 H new ATOM 0 H4' DG B 7 5.404 -7.095 6.408 1.00 0.00 H new ATOM 0 H3' DG B 7 6.493 -9.597 5.382 1.00 0.00 H new ATOM 0 H2' DG B 7 4.887 -9.777 3.629 1.00 0.00 H new ATOM 0 H2'' DG B 7 3.948 -10.435 4.954 1.00 0.00 H new ATOM 0 H1' DG B 7 2.898 -8.304 5.437 1.00 0.00 H new ATOM 0 H8 DG B 7 4.048 -8.545 1.814 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.244 -7.573 2.702 1.00 0.00 H new ATOM 0 H21 DG B 7 -1.438 -7.845 6.109 1.00 0.00 H new ATOM 0 H22 DG B 7 -2.707 -7.647 4.895 1.00 0.00 H new ATOM 479 P DC B 8 5.012 -10.911 7.500 1.00 0.00 P ATOM 480 OP1 DC B 8 5.430 -10.955 8.919 1.00 0.00 O ATOM 481 OP2 DC B 8 5.601 -11.864 6.533 1.00 0.00 O ATOM 482 O5' DC B 8 3.402 -11.069 7.447 1.00 0.00 O ATOM 483 C5' DC B 8 2.567 -10.459 8.417 1.00 0.00 C ATOM 484 C4' DC B 8 1.086 -10.699 8.098 1.00 0.00 C ATOM 485 O4' DC B 8 0.767 -10.256 6.789 1.00 0.00 O ATOM 486 C3' DC B 8 0.697 -12.178 8.161 1.00 0.00 C ATOM 487 O3' DC B 8 0.033 -12.470 9.373 1.00 0.00 O ATOM 488 C2' DC B 8 -0.237 -12.363 6.965 1.00 0.00 C ATOM 489 C1' DC B 8 -0.376 -10.970 6.348 1.00 0.00 C ATOM 490 N1 DC B 8 -0.435 -11.045 4.860 1.00 0.00 N ATOM 491 C2 DC B 8 -1.665 -10.925 4.208 1.00 0.00 C ATOM 492 O2 DC B 8 -2.713 -10.811 4.839 1.00 0.00 O ATOM 493 N3 DC B 8 -1.681 -10.926 2.842 1.00 0.00 N ATOM 494 C4 DC B 8 -0.550 -11.074 2.134 1.00 0.00 C ATOM 495 N4 DC B 8 -0.608 -11.019 0.800 1.00 0.00 N ATOM 496 C5 DC B 8 0.716 -11.255 2.784 1.00 0.00 C ATOM 497 C6 DC B 8 0.715 -11.229 4.136 1.00 0.00 C ATOM 0 H5' DC B 8 2.766 -9.388 8.451 1.00 0.00 H new ATOM 0 H5'' DC B 8 2.799 -10.858 9.404 1.00 0.00 H new ATOM 0 H4' DC B 8 0.539 -10.139 8.856 1.00 0.00 H new ATOM 0 H3' DC B 8 1.559 -12.844 8.125 1.00 0.00 H new ATOM 0 H2' DC B 8 0.177 -13.072 6.248 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.205 -12.754 7.278 1.00 0.00 H new ATOM 0 HO3' DC B 8 -0.209 -13.420 9.393 1.00 0.00 H new ATOM 0 H1' DC B 8 -1.299 -10.478 6.653 1.00 0.00 H new ATOM 0 H41 DC B 8 0.242 -11.130 0.248 1.00 0.00 H new ATOM 0 H42 DC B 8 -1.503 -10.866 0.334 1.00 0.00 H new ATOM 0 H5 DC B 8 1.625 -11.405 2.221 1.00 0.00 H new ATOM 0 H6 DC B 8 1.649 -11.357 4.662 1.00 0.00 H new TER 510 DC B 8