USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 205 hydrogens (34 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 2 DT C7 :methyl 150:sc= -1.7 (180deg=-1.7) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.077 (180deg=-0.93) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.719 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 34.231 3.244 -13.204 1.00 0.00 O ATOM 2 C5' DG A 1 33.080 3.729 -13.899 1.00 0.00 C ATOM 3 C4' DG A 1 31.932 2.720 -13.857 1.00 0.00 C ATOM 4 O4' DG A 1 32.345 1.493 -14.481 1.00 0.00 O ATOM 5 C3' DG A 1 31.454 2.375 -12.445 1.00 0.00 C ATOM 6 O3' DG A 1 30.024 2.237 -12.452 1.00 0.00 O ATOM 7 C2' DG A 1 32.122 1.037 -12.164 1.00 0.00 C ATOM 8 C1' DG A 1 32.211 0.417 -13.547 1.00 0.00 C ATOM 9 N9 DG A 1 33.361 -0.490 -13.728 1.00 0.00 N ATOM 10 C8 DG A 1 34.675 -0.290 -13.393 1.00 0.00 C ATOM 11 N7 DG A 1 35.453 -1.296 -13.681 1.00 0.00 N ATOM 12 C5 DG A 1 34.593 -2.231 -14.249 1.00 0.00 C ATOM 13 C6 DG A 1 34.866 -3.530 -14.760 1.00 0.00 C ATOM 14 O6 DG A 1 35.942 -4.122 -14.809 1.00 0.00 O ATOM 15 N1 DG A 1 33.716 -4.136 -15.243 1.00 0.00 N ATOM 16 C2 DG A 1 32.460 -3.569 -15.234 1.00 0.00 C ATOM 17 N2 DG A 1 31.476 -4.302 -15.739 1.00 0.00 N ATOM 18 N3 DG A 1 32.201 -2.353 -14.755 1.00 0.00 N ATOM 19 C4 DG A 1 33.311 -1.744 -14.282 1.00 0.00 C ATOM 0 H5' DG A 1 33.342 3.940 -14.936 1.00 0.00 H new ATOM 0 H5'' DG A 1 32.755 4.670 -13.454 1.00 0.00 H new ATOM 0 H4' DG A 1 31.105 3.198 -14.382 1.00 0.00 H new ATOM 0 H3' DG A 1 31.699 3.129 -11.698 1.00 0.00 H new ATOM 0 H2' DG A 1 33.106 1.162 -11.711 1.00 0.00 H new ATOM 0 H2'' DG A 1 31.532 0.424 -11.482 1.00 0.00 H new ATOM 0 HO5' DG A 1 34.947 3.912 -13.251 1.00 0.00 H new ATOM 0 H1' DG A 1 31.314 -0.184 -13.696 1.00 0.00 H new ATOM 0 H8 DG A 1 35.034 0.619 -12.932 1.00 0.00 H new ATOM 0 H1 DG A 1 33.807 -5.073 -15.635 1.00 0.00 H new ATOM 0 H21 DG A 1 30.525 -3.934 -15.759 1.00 0.00 H new ATOM 0 H22 DG A 1 31.671 -5.233 -16.107 1.00 0.00 H new ATOM 32 P DT A 2 29.221 1.595 -11.206 1.00 0.00 P ATOM 33 OP1 DT A 2 27.919 2.290 -11.086 1.00 0.00 O ATOM 34 OP2 DT A 2 30.129 1.528 -10.038 1.00 0.00 O ATOM 35 O5' DT A 2 28.940 0.092 -11.717 1.00 0.00 O ATOM 36 C5' DT A 2 28.128 -0.134 -12.877 1.00 0.00 C ATOM 37 C4' DT A 2 27.671 -1.586 -12.981 1.00 0.00 C ATOM 38 O4' DT A 2 28.780 -2.432 -13.323 1.00 0.00 O ATOM 39 C3' DT A 2 27.052 -2.136 -11.697 1.00 0.00 C ATOM 40 O3' DT A 2 25.915 -2.947 -12.032 1.00 0.00 O ATOM 41 C2' DT A 2 28.166 -2.988 -11.101 1.00 0.00 C ATOM 42 C1' DT A 2 28.920 -3.456 -12.335 1.00 0.00 C ATOM 43 N1 DT A 2 30.366 -3.689 -12.124 1.00 0.00 N ATOM 44 C2 DT A 2 30.890 -4.886 -12.580 1.00 0.00 C ATOM 45 O2 DT A 2 30.195 -5.734 -13.135 1.00 0.00 O ATOM 46 N3 DT A 2 32.244 -5.077 -12.368 1.00 0.00 N ATOM 47 C4 DT A 2 33.104 -4.188 -11.745 1.00 0.00 C ATOM 48 O4 DT A 2 34.293 -4.459 -11.599 1.00 0.00 O ATOM 49 C5 DT A 2 32.470 -2.967 -11.303 1.00 0.00 C ATOM 50 C7 DT A 2 33.305 -1.904 -10.593 1.00 0.00 C ATOM 51 C6 DT A 2 31.152 -2.756 -11.501 1.00 0.00 C ATOM 0 H5' DT A 2 28.691 0.134 -13.771 1.00 0.00 H new ATOM 0 H5'' DT A 2 27.256 0.519 -12.842 1.00 0.00 H new ATOM 0 H4' DT A 2 26.902 -1.589 -13.754 1.00 0.00 H new ATOM 0 H3' DT A 2 26.705 -1.366 -11.009 1.00 0.00 H new ATOM 0 H2' DT A 2 28.803 -2.411 -10.431 1.00 0.00 H new ATOM 0 H2'' DT A 2 27.772 -3.825 -10.525 1.00 0.00 H new ATOM 0 H1' DT A 2 28.495 -4.416 -12.627 1.00 0.00 H new ATOM 0 H3 DT A 2 32.646 -5.953 -12.701 1.00 0.00 H new ATOM 0 H71 DT A 2 32.888 -0.918 -10.797 1.00 0.00 H new ATOM 0 H72 DT A 2 33.292 -2.089 -9.519 1.00 0.00 H new ATOM 0 H73 DT A 2 34.332 -1.946 -10.956 1.00 0.00 H new ATOM 0 H6 DT A 2 30.708 -1.832 -11.161 1.00 0.00 H new ATOM 64 P DC A 3 25.201 -3.886 -10.936 1.00 0.00 P ATOM 65 OP1 DC A 3 23.767 -3.995 -11.277 1.00 0.00 O ATOM 66 OP2 DC A 3 25.602 -3.422 -9.584 1.00 0.00 O ATOM 67 O5' DC A 3 25.889 -5.314 -11.201 1.00 0.00 O ATOM 68 C5' DC A 3 25.511 -6.098 -12.337 1.00 0.00 C ATOM 69 C4' DC A 3 25.686 -7.588 -12.066 1.00 0.00 C ATOM 70 O4' DC A 3 27.081 -7.895 -11.968 1.00 0.00 O ATOM 71 C3' DC A 3 25.013 -8.057 -10.780 1.00 0.00 C ATOM 72 O3' DC A 3 24.412 -9.340 -10.996 1.00 0.00 O ATOM 73 C2' DC A 3 26.157 -8.172 -9.781 1.00 0.00 C ATOM 74 C1' DC A 3 27.384 -8.394 -10.660 1.00 0.00 C ATOM 75 N1 DC A 3 28.600 -7.689 -10.195 1.00 0.00 N ATOM 76 C2 DC A 3 29.735 -8.449 -9.950 1.00 0.00 C ATOM 77 O2 DC A 3 29.714 -9.669 -10.100 1.00 0.00 O ATOM 78 N3 DC A 3 30.863 -7.808 -9.547 1.00 0.00 N ATOM 79 C4 DC A 3 30.889 -6.484 -9.388 1.00 0.00 C ATOM 80 N4 DC A 3 32.021 -5.901 -8.996 1.00 0.00 N ATOM 81 C5 DC A 3 29.726 -5.692 -9.636 1.00 0.00 C ATOM 82 C6 DC A 3 28.608 -6.331 -10.035 1.00 0.00 C ATOM 0 H5' DC A 3 26.115 -5.810 -13.198 1.00 0.00 H new ATOM 0 H5'' DC A 3 24.472 -5.893 -12.593 1.00 0.00 H new ATOM 0 H4' DC A 3 25.211 -8.105 -12.899 1.00 0.00 H new ATOM 0 H3' DC A 3 24.228 -7.383 -10.437 1.00 0.00 H new ATOM 0 H2' DC A 3 26.254 -7.269 -9.178 1.00 0.00 H new ATOM 0 H2'' DC A 3 26.004 -9.001 -9.090 1.00 0.00 H new ATOM 0 H1' DC A 3 27.598 -9.462 -10.635 1.00 0.00 H new ATOM 0 H41 DC A 3 32.057 -4.889 -8.870 1.00 0.00 H new ATOM 0 H42 DC A 3 32.852 -6.466 -8.822 1.00 0.00 H new ATOM 0 H5 DC A 3 29.742 -4.620 -9.508 1.00 0.00 H new ATOM 0 H6 DC A 3 27.709 -5.765 -10.230 1.00 0.00 H new ATOM 94 P DG A 4 23.377 -9.964 -9.928 1.00 0.00 P ATOM 95 OP1 DG A 4 22.104 -10.252 -10.627 1.00 0.00 O ATOM 96 OP2 DG A 4 23.378 -9.104 -8.722 1.00 0.00 O ATOM 97 O5' DG A 4 24.077 -11.365 -9.547 1.00 0.00 O ATOM 98 C5' DG A 4 24.256 -12.376 -10.546 1.00 0.00 C ATOM 99 C4' DG A 4 25.325 -13.396 -10.152 1.00 0.00 C ATOM 100 O4' DG A 4 26.557 -12.719 -9.864 1.00 0.00 O ATOM 101 C3' DG A 4 24.979 -14.249 -8.929 1.00 0.00 C ATOM 102 O3' DG A 4 25.445 -15.590 -9.160 1.00 0.00 O ATOM 103 C2' DG A 4 25.765 -13.590 -7.804 1.00 0.00 C ATOM 104 C1' DG A 4 26.976 -13.037 -8.532 1.00 0.00 C ATOM 105 N9 DG A 4 27.536 -11.813 -7.934 1.00 0.00 N ATOM 106 C8 DG A 4 26.879 -10.696 -7.490 1.00 0.00 C ATOM 107 N7 DG A 4 27.670 -9.769 -7.023 1.00 0.00 N ATOM 108 C5 DG A 4 28.944 -10.316 -7.167 1.00 0.00 C ATOM 109 C6 DG A 4 30.215 -9.773 -6.831 1.00 0.00 C ATOM 110 O6 DG A 4 30.469 -8.679 -6.330 1.00 0.00 O ATOM 111 N1 DG A 4 31.241 -10.653 -7.140 1.00 0.00 N ATOM 112 C2 DG A 4 31.070 -11.898 -7.700 1.00 0.00 C ATOM 113 N2 DG A 4 32.174 -12.602 -7.924 1.00 0.00 N ATOM 114 N3 DG A 4 29.881 -12.409 -8.016 1.00 0.00 N ATOM 115 C4 DG A 4 28.867 -11.566 -7.723 1.00 0.00 C ATOM 0 H5' DG A 4 24.535 -11.907 -11.489 1.00 0.00 H new ATOM 0 H5'' DG A 4 23.310 -12.890 -10.713 1.00 0.00 H new ATOM 0 H4' DG A 4 25.402 -14.067 -11.008 1.00 0.00 H new ATOM 0 H3' DG A 4 23.913 -14.307 -8.708 1.00 0.00 H new ATOM 0 H2' DG A 4 25.191 -12.803 -7.314 1.00 0.00 H new ATOM 0 H2'' DG A 4 26.047 -14.306 -7.032 1.00 0.00 H new ATOM 0 H1' DG A 4 27.758 -13.795 -8.483 1.00 0.00 H new ATOM 0 H8 DG A 4 25.805 -10.592 -7.523 1.00 0.00 H new ATOM 0 H1 DG A 4 32.195 -10.355 -6.937 1.00 0.00 H new ATOM 0 H21 DG A 4 32.111 -13.532 -8.337 1.00 0.00 H new ATOM 0 H22 DG A 4 33.085 -12.212 -7.683 1.00 0.00 H new ATOM 127 P DG A 5 25.466 -16.710 -7.996 1.00 0.00 P ATOM 128 OP1 DG A 5 25.026 -17.995 -8.585 1.00 0.00 O ATOM 129 OP2 DG A 5 24.767 -16.168 -6.807 1.00 0.00 O ATOM 130 O5' DG A 5 27.041 -16.826 -7.650 1.00 0.00 O ATOM 131 C5' DG A 5 27.971 -17.301 -8.637 1.00 0.00 C ATOM 132 C4' DG A 5 29.373 -17.518 -8.058 1.00 0.00 C ATOM 133 O4' DG A 5 29.903 -16.273 -7.579 1.00 0.00 O ATOM 134 C3' DG A 5 29.422 -18.512 -6.900 1.00 0.00 C ATOM 135 O3' DG A 5 30.609 -19.314 -7.005 1.00 0.00 O ATOM 136 C2' DG A 5 29.496 -17.625 -5.670 1.00 0.00 C ATOM 137 C1' DG A 5 30.216 -16.388 -6.186 1.00 0.00 C ATOM 138 N9 DG A 5 29.794 -15.135 -5.533 1.00 0.00 N ATOM 139 C8 DG A 5 28.523 -14.667 -5.340 1.00 0.00 C ATOM 140 N7 DG A 5 28.468 -13.510 -4.746 1.00 0.00 N ATOM 141 C5 DG A 5 29.803 -13.184 -4.525 1.00 0.00 C ATOM 142 C6 DG A 5 30.368 -12.036 -3.908 1.00 0.00 C ATOM 143 O6 DG A 5 29.787 -11.055 -3.444 1.00 0.00 O ATOM 144 N1 DG A 5 31.754 -12.103 -3.883 1.00 0.00 N ATOM 145 C2 DG A 5 32.506 -13.141 -4.388 1.00 0.00 C ATOM 146 N2 DG A 5 33.824 -13.027 -4.271 1.00 0.00 N ATOM 147 N3 DG A 5 31.979 -14.220 -4.971 1.00 0.00 N ATOM 148 C4 DG A 5 30.624 -14.174 -5.003 1.00 0.00 C ATOM 0 H5' DG A 5 28.026 -16.584 -9.456 1.00 0.00 H new ATOM 0 H5'' DG A 5 27.605 -18.238 -9.057 1.00 0.00 H new ATOM 0 H4' DG A 5 29.962 -17.929 -8.878 1.00 0.00 H new ATOM 0 H3' DG A 5 28.572 -19.194 -6.878 1.00 0.00 H new ATOM 0 H2' DG A 5 28.505 -17.385 -5.285 1.00 0.00 H new ATOM 0 H2'' DG A 5 30.045 -18.104 -4.859 1.00 0.00 H new ATOM 0 H1' DG A 5 31.279 -16.515 -5.979 1.00 0.00 H new ATOM 0 H8 DG A 5 27.643 -15.210 -5.653 1.00 0.00 H new ATOM 0 H1 DG A 5 32.255 -11.323 -3.458 1.00 0.00 H new ATOM 0 H21 DG A 5 34.433 -13.764 -4.626 1.00 0.00 H new ATOM 0 H22 DG A 5 34.227 -12.202 -3.826 1.00 0.00 H new ATOM 160 P DC A 6 30.980 -20.409 -5.878 1.00 0.00 P ATOM 161 OP1 DC A 6 31.686 -21.528 -6.540 1.00 0.00 O ATOM 162 OP2 DC A 6 29.769 -20.681 -5.070 1.00 0.00 O ATOM 163 O5' DC A 6 32.042 -19.624 -4.951 1.00 0.00 O ATOM 164 C5' DC A 6 33.383 -19.413 -5.408 1.00 0.00 C ATOM 165 C4' DC A 6 34.310 -18.929 -4.290 1.00 0.00 C ATOM 166 O4' DC A 6 33.886 -17.636 -3.833 1.00 0.00 O ATOM 167 C3' DC A 6 34.368 -19.853 -3.073 1.00 0.00 C ATOM 168 O3' DC A 6 35.721 -19.947 -2.606 1.00 0.00 O ATOM 169 C2' DC A 6 33.499 -19.150 -2.041 1.00 0.00 C ATOM 170 C1' DC A 6 33.621 -17.686 -2.426 1.00 0.00 C ATOM 171 N1 DC A 6 32.399 -16.899 -2.171 1.00 0.00 N ATOM 172 C2 DC A 6 32.518 -15.752 -1.400 1.00 0.00 C ATOM 173 O2 DC A 6 33.608 -15.422 -0.937 1.00 0.00 O ATOM 174 N3 DC A 6 31.399 -15.016 -1.168 1.00 0.00 N ATOM 175 C4 DC A 6 30.215 -15.386 -1.667 1.00 0.00 C ATOM 176 N4 DC A 6 29.142 -14.638 -1.424 1.00 0.00 N ATOM 177 C5 DC A 6 30.087 -16.568 -2.457 1.00 0.00 C ATOM 178 C6 DC A 6 31.197 -17.289 -2.684 1.00 0.00 C ATOM 0 H5' DC A 6 33.378 -18.680 -6.215 1.00 0.00 H new ATOM 0 H5'' DC A 6 33.773 -20.342 -5.823 1.00 0.00 H new ATOM 0 H4' DC A 6 35.306 -18.906 -4.733 1.00 0.00 H new ATOM 0 H3' DC A 6 34.029 -20.867 -3.284 1.00 0.00 H new ATOM 0 H2' DC A 6 32.465 -19.493 -2.084 1.00 0.00 H new ATOM 0 H2'' DC A 6 33.853 -19.331 -1.026 1.00 0.00 H new ATOM 0 H1' DC A 6 34.414 -17.252 -1.817 1.00 0.00 H new ATOM 0 H41 DC A 6 28.234 -14.911 -1.800 1.00 0.00 H new ATOM 0 H42 DC A 6 29.227 -13.791 -0.862 1.00 0.00 H new ATOM 0 H5 DC A 6 29.131 -16.872 -2.858 1.00 0.00 H new ATOM 0 H6 DC A 6 31.137 -18.188 -3.280 1.00 0.00 H new ATOM 190 P DT A 7 36.066 -20.549 -1.148 1.00 0.00 P ATOM 191 OP1 DT A 7 37.464 -21.034 -1.169 1.00 0.00 O ATOM 192 OP2 DT A 7 34.973 -21.464 -0.747 1.00 0.00 O ATOM 193 O5' DT A 7 36.007 -19.241 -0.210 1.00 0.00 O ATOM 194 C5' DT A 7 36.851 -18.121 -0.494 1.00 0.00 C ATOM 195 C4' DT A 7 37.135 -17.283 0.752 1.00 0.00 C ATOM 196 O4' DT A 7 36.004 -16.455 1.038 1.00 0.00 O ATOM 197 C3' DT A 7 37.429 -18.108 2.004 1.00 0.00 C ATOM 198 O3' DT A 7 38.439 -17.455 2.782 1.00 0.00 O ATOM 199 C2' DT A 7 36.109 -18.101 2.757 1.00 0.00 C ATOM 200 C1' DT A 7 35.483 -16.779 2.330 1.00 0.00 C ATOM 201 N1 DT A 7 34.012 -16.805 2.208 1.00 0.00 N ATOM 202 C2 DT A 7 33.314 -15.711 2.685 1.00 0.00 C ATOM 203 O2 DT A 7 33.877 -14.758 3.222 1.00 0.00 O ATOM 204 N3 DT A 7 31.941 -15.755 2.528 1.00 0.00 N ATOM 205 C4 DT A 7 31.219 -16.786 1.946 1.00 0.00 C ATOM 206 O4 DT A 7 29.994 -16.728 1.860 1.00 0.00 O ATOM 207 C5 DT A 7 32.034 -17.884 1.480 1.00 0.00 C ATOM 208 C7 DT A 7 31.365 -19.088 0.819 1.00 0.00 C ATOM 209 C6 DT A 7 33.374 -17.862 1.621 1.00 0.00 C ATOM 0 H5' DT A 7 36.379 -17.495 -1.251 1.00 0.00 H new ATOM 0 H5'' DT A 7 37.792 -18.475 -0.914 1.00 0.00 H new ATOM 0 H4' DT A 7 38.028 -16.703 0.520 1.00 0.00 H new ATOM 0 H3' DT A 7 37.787 -19.114 1.784 1.00 0.00 H new ATOM 0 H2' DT A 7 35.484 -18.951 2.485 1.00 0.00 H new ATOM 0 H2'' DT A 7 36.259 -18.148 3.836 1.00 0.00 H new ATOM 0 H1' DT A 7 35.727 -16.054 3.107 1.00 0.00 H new ATOM 0 H3 DT A 7 31.410 -14.955 2.872 1.00 0.00 H new ATOM 0 H71 DT A 7 30.365 -19.221 1.232 1.00 0.00 H new ATOM 0 H72 DT A 7 31.294 -18.920 -0.256 1.00 0.00 H new ATOM 0 H73 DT A 7 31.958 -19.983 1.008 1.00 0.00 H new ATOM 0 H6 DT A 7 33.957 -18.698 1.262 1.00 0.00 H new ATOM 222 P DG A 8 39.097 -18.185 4.060 1.00 0.00 P ATOM 223 OP1 DG A 8 40.557 -17.941 4.030 1.00 0.00 O ATOM 224 OP2 DG A 8 38.584 -19.573 4.119 1.00 0.00 O ATOM 225 O5' DG A 8 38.474 -17.365 5.300 1.00 0.00 O ATOM 226 C5' DG A 8 38.923 -16.038 5.591 1.00 0.00 C ATOM 227 C4' DG A 8 38.213 -15.450 6.810 1.00 0.00 C ATOM 228 O4' DG A 8 36.815 -15.315 6.529 1.00 0.00 O ATOM 229 C3' DG A 8 38.346 -16.294 8.076 1.00 0.00 C ATOM 230 O3' DG A 8 38.519 -15.469 9.234 1.00 0.00 O ATOM 231 C2' DG A 8 37.034 -17.054 8.133 1.00 0.00 C ATOM 232 C1' DG A 8 36.062 -16.101 7.457 1.00 0.00 C ATOM 233 N9 DG A 8 34.993 -16.775 6.700 1.00 0.00 N ATOM 234 C8 DG A 8 35.050 -17.949 6.001 1.00 0.00 C ATOM 235 N7 DG A 8 33.926 -18.278 5.425 1.00 0.00 N ATOM 236 C5 DG A 8 33.061 -17.241 5.770 1.00 0.00 C ATOM 237 C6 DG A 8 31.692 -17.040 5.435 1.00 0.00 C ATOM 238 O6 DG A 8 30.957 -17.752 4.754 1.00 0.00 O ATOM 239 N1 DG A 8 31.202 -15.867 5.989 1.00 0.00 N ATOM 240 C2 DG A 8 31.932 -14.995 6.765 1.00 0.00 C ATOM 241 N2 DG A 8 31.290 -13.918 7.209 1.00 0.00 N ATOM 242 N3 DG A 8 33.212 -15.181 7.081 1.00 0.00 N ATOM 243 C4 DG A 8 33.710 -16.319 6.550 1.00 0.00 C ATOM 0 H5' DG A 8 38.749 -15.398 4.726 1.00 0.00 H new ATOM 0 H5'' DG A 8 39.998 -16.049 5.768 1.00 0.00 H new ATOM 0 H4' DG A 8 38.696 -14.491 6.998 1.00 0.00 H new ATOM 0 H3' DG A 8 39.216 -16.951 8.058 1.00 0.00 H new ATOM 0 H2' DG A 8 37.096 -18.008 7.609 1.00 0.00 H new ATOM 0 H2'' DG A 8 36.738 -17.273 9.159 1.00 0.00 H new ATOM 0 HO3' DG A 8 38.600 -16.035 10.030 1.00 0.00 H new ATOM 0 H1' DG A 8 35.581 -15.516 8.241 1.00 0.00 H new ATOM 0 H8 DG A 8 35.945 -18.550 5.932 1.00 0.00 H new ATOM 0 H1 DG A 8 30.226 -15.632 5.808 1.00 0.00 H new ATOM 0 H21 DG A 8 31.779 -13.236 7.789 1.00 0.00 H new ATOM 0 H22 DG A 8 30.309 -13.774 6.970 1.00 0.00 H new TER 256 DG A 8 ATOM 257 O5' DC B 1 22.798 -14.213 6.158 1.00 0.00 O ATOM 258 C5' DC B 1 22.673 -13.619 7.454 1.00 0.00 C ATOM 259 C4' DC B 1 23.812 -12.637 7.733 1.00 0.00 C ATOM 260 O4' DC B 1 25.059 -13.343 7.750 1.00 0.00 O ATOM 261 C3' DC B 1 23.925 -11.515 6.703 1.00 0.00 C ATOM 262 O3' DC B 1 24.225 -10.279 7.367 1.00 0.00 O ATOM 263 C2' DC B 1 25.092 -11.933 5.821 1.00 0.00 C ATOM 264 C1' DC B 1 25.923 -12.835 6.727 1.00 0.00 C ATOM 265 N1 DC B 1 26.520 -13.998 6.035 1.00 0.00 N ATOM 266 C2 DC B 1 27.899 -14.154 6.093 1.00 0.00 C ATOM 267 O2 DC B 1 28.592 -13.337 6.696 1.00 0.00 O ATOM 268 N3 DC B 1 28.454 -15.228 5.467 1.00 0.00 N ATOM 269 C4 DC B 1 27.691 -16.111 4.812 1.00 0.00 C ATOM 270 N4 DC B 1 28.266 -17.151 4.211 1.00 0.00 N ATOM 271 C5 DC B 1 26.271 -15.954 4.750 1.00 0.00 C ATOM 272 C6 DC B 1 25.731 -14.890 5.373 1.00 0.00 C ATOM 0 H5' DC B 1 22.670 -14.400 8.214 1.00 0.00 H new ATOM 0 H5'' DC B 1 21.717 -13.100 7.527 1.00 0.00 H new ATOM 0 H4' DC B 1 23.585 -12.181 8.696 1.00 0.00 H new ATOM 0 H3' DC B 1 23.007 -11.364 6.136 1.00 0.00 H new ATOM 0 H2' DC B 1 24.752 -12.463 4.931 1.00 0.00 H new ATOM 0 H2'' DC B 1 25.665 -11.071 5.479 1.00 0.00 H new ATOM 0 HO5' DC B 1 22.056 -14.836 6.011 1.00 0.00 H new ATOM 0 H1' DC B 1 26.744 -12.229 7.110 1.00 0.00 H new ATOM 0 H41 DC B 1 27.694 -17.830 3.709 1.00 0.00 H new ATOM 0 H42 DC B 1 29.278 -17.268 4.253 1.00 0.00 H new ATOM 0 H5 DC B 1 25.653 -16.665 4.221 1.00 0.00 H new ATOM 0 H6 DC B 1 24.662 -14.742 5.348 1.00 0.00 H new ATOM 285 P DA B 2 24.077 -8.868 6.596 1.00 0.00 P ATOM 286 OP1 DA B 2 23.543 -7.872 7.552 1.00 0.00 O ATOM 287 OP2 DA B 2 23.375 -9.110 5.315 1.00 0.00 O ATOM 288 O5' DA B 2 25.609 -8.483 6.264 1.00 0.00 O ATOM 289 C5' DA B 2 26.468 -7.975 7.292 1.00 0.00 C ATOM 290 C4' DA B 2 27.896 -7.749 6.795 1.00 0.00 C ATOM 291 O4' DA B 2 28.456 -8.986 6.336 1.00 0.00 O ATOM 292 C3' DA B 2 28.014 -6.737 5.656 1.00 0.00 C ATOM 293 O3' DA B 2 29.161 -5.903 5.890 1.00 0.00 O ATOM 294 C2' DA B 2 28.217 -7.597 4.422 1.00 0.00 C ATOM 295 C1' DA B 2 28.880 -8.844 4.977 1.00 0.00 C ATOM 296 N9 DA B 2 28.508 -10.072 4.263 1.00 0.00 N ATOM 297 C8 DA B 2 27.307 -10.394 3.696 1.00 0.00 C ATOM 298 N7 DA B 2 27.286 -11.572 3.135 1.00 0.00 N ATOM 299 C5 DA B 2 28.574 -12.060 3.349 1.00 0.00 C ATOM 300 C6 DA B 2 29.206 -13.263 2.998 1.00 0.00 C ATOM 301 N6 DA B 2 28.602 -14.240 2.326 1.00 0.00 N ATOM 302 N1 DA B 2 30.486 -13.415 3.366 1.00 0.00 N ATOM 303 C2 DA B 2 31.093 -12.443 4.032 1.00 0.00 C ATOM 304 N3 DA B 2 30.612 -11.274 4.419 1.00 0.00 N ATOM 305 C4 DA B 2 29.323 -11.149 4.036 1.00 0.00 C ATOM 0 H5' DA B 2 26.483 -8.674 8.128 1.00 0.00 H new ATOM 0 H5'' DA B 2 26.064 -7.036 7.669 1.00 0.00 H new ATOM 0 H4' DA B 2 28.435 -7.346 7.652 1.00 0.00 H new ATOM 0 H3' DA B 2 27.149 -6.081 5.560 1.00 0.00 H new ATOM 0 H2' DA B 2 27.271 -7.828 3.931 1.00 0.00 H new ATOM 0 H2'' DA B 2 28.846 -7.100 3.684 1.00 0.00 H new ATOM 0 H1' DA B 2 29.958 -8.720 4.870 1.00 0.00 H new ATOM 0 H8 DA B 2 26.453 -9.733 3.711 1.00 0.00 H new ATOM 0 H61 DA B 2 29.112 -15.093 2.098 1.00 0.00 H new ATOM 0 H62 DA B 2 27.629 -14.135 2.039 1.00 0.00 H new ATOM 0 H2 DA B 2 32.123 -12.632 4.295 1.00 0.00 H new ATOM 317 P DG B 3 29.766 -4.942 4.742 1.00 0.00 P ATOM 318 OP1 DG B 3 30.330 -3.740 5.397 1.00 0.00 O ATOM 319 OP2 DG B 3 28.753 -4.790 3.672 1.00 0.00 O ATOM 320 O5' DG B 3 30.991 -5.818 4.159 1.00 0.00 O ATOM 321 C5' DG B 3 32.120 -6.121 4.990 1.00 0.00 C ATOM 322 C4' DG B 3 33.280 -6.739 4.204 1.00 0.00 C ATOM 323 O4' DG B 3 32.925 -8.048 3.732 1.00 0.00 O ATOM 324 C3' DG B 3 33.735 -5.926 3.002 1.00 0.00 C ATOM 325 O3' DG B 3 35.169 -5.956 2.926 1.00 0.00 O ATOM 326 C2' DG B 3 33.123 -6.660 1.824 1.00 0.00 C ATOM 327 C1' DG B 3 33.082 -8.097 2.312 1.00 0.00 C ATOM 328 N9 DG B 3 31.959 -8.874 1.768 1.00 0.00 N ATOM 329 C8 DG B 3 30.644 -8.510 1.689 1.00 0.00 C ATOM 330 N7 DG B 3 29.877 -9.413 1.149 1.00 0.00 N ATOM 331 C5 DG B 3 30.750 -10.455 0.847 1.00 0.00 C ATOM 332 C6 DG B 3 30.490 -11.713 0.242 1.00 0.00 C ATOM 333 O6 DG B 3 29.417 -12.158 -0.154 1.00 0.00 O ATOM 334 N1 DG B 3 31.647 -12.469 0.120 1.00 0.00 N ATOM 335 C2 DG B 3 32.900 -12.068 0.527 1.00 0.00 C ATOM 336 N2 DG B 3 33.892 -12.931 0.327 1.00 0.00 N ATOM 337 N3 DG B 3 33.150 -10.887 1.096 1.00 0.00 N ATOM 338 C4 DG B 3 32.030 -10.134 1.224 1.00 0.00 C ATOM 0 H5' DG B 3 31.813 -6.809 5.778 1.00 0.00 H new ATOM 0 H5'' DG B 3 32.462 -5.209 5.479 1.00 0.00 H new ATOM 0 H4' DG B 3 34.107 -6.770 4.914 1.00 0.00 H new ATOM 0 H3' DG B 3 33.437 -4.878 3.041 1.00 0.00 H new ATOM 0 H2' DG B 3 32.128 -6.285 1.586 1.00 0.00 H new ATOM 0 H2'' DG B 3 33.728 -6.555 0.923 1.00 0.00 H new ATOM 0 H1' DG B 3 33.999 -8.587 1.985 1.00 0.00 H new ATOM 0 H8 DG B 3 30.274 -7.559 2.043 1.00 0.00 H new ATOM 0 H1 DG B 3 31.563 -13.393 -0.304 1.00 0.00 H new ATOM 0 H21 DG B 3 34.842 -12.690 0.608 1.00 0.00 H new ATOM 0 H22 DG B 3 33.702 -13.834 -0.107 1.00 0.00 H new HETATM 350 P N4S B 4 35.962 -5.359 1.654 1.00 0.00 P HETATM 351 OP1 N4S B 4 37.182 -4.682 2.148 1.00 0.00 O HETATM 352 OP2 N4S B 4 35.000 -4.618 0.806 1.00 0.00 O HETATM 353 C5' N4S B 4 37.446 -7.533 1.383 1.00 0.00 C HETATM 354 O5' N4S B 4 36.412 -6.689 0.861 1.00 0.00 O HETATM 355 C4' N4S B 4 37.892 -8.586 0.367 1.00 0.00 C HETATM 356 O4' N4S B 4 36.758 -9.362 -0.047 1.00 0.00 O HETATM 357 C3' N4S B 4 38.524 -8.010 -0.899 1.00 0.00 C HETATM 358 O3' N4S B 4 39.541 -8.912 -1.368 1.00 0.00 O HETATM 359 C2' N4S B 4 37.358 -7.966 -1.871 1.00 0.00 C HETATM 360 C1' N4S B 4 36.550 -9.182 -1.453 1.00 0.00 C HETATM 361 N1 N4S B 4 35.100 -9.047 -1.676 1.00 0.00 N HETATM 362 C2 N4S B 4 34.450 -10.090 -2.316 1.00 0.00 C HETATM 363 O2 N4S B 4 35.075 -11.082 -2.682 1.00 0.00 O HETATM 364 N3 N4S B 4 33.116 -9.980 -2.525 1.00 0.00 N HETATM 365 C4 N4S B 4 32.438 -8.898 -2.128 1.00 0.00 C HETATM 366 N4 N4S B 4 31.135 -8.847 -2.356 1.00 0.00 N HETATM 367 C5 N4S B 4 33.104 -7.816 -1.469 1.00 0.00 C HETATM 368 C6 N4S B 4 34.428 -7.933 -1.264 1.00 0.00 C HETATM 369 CA N4S B 4 30.328 -7.668 -1.936 1.00 0.00 C HETATM 370 CB N4S B 4 29.093 -7.531 -2.835 1.00 0.00 C HETATM 371 CC N4S B 4 29.515 -7.034 -4.226 1.00 0.00 C HETATM 372 CE N4S B 4 28.580 -6.367 -6.374 1.00 0.00 C HETATM 373 CF N4S B 4 27.943 -4.989 -6.094 1.00 0.00 C HETATM 374 CG N4S B 4 26.484 -4.964 -6.588 1.00 0.00 C HETATM 375 CH N4S B 4 25.741 -3.738 -6.014 1.00 0.00 C HETATM 376 CJ N4S B 4 25.154 -1.420 -6.490 1.00 0.00 C HETATM 377 CK N4S B 4 23.742 -1.429 -5.868 1.00 0.00 C HETATM 378 CL N4S B 4 23.309 0.004 -5.504 1.00 0.00 C HETATM 379 ND N4S B 4 28.422 -7.259 -5.201 1.00 0.00 N HETATM 380 NI N4S B 4 25.473 -2.743 -7.082 1.00 0.00 N HETATM 381 NM N4S B 4 22.132 -0.029 -4.612 1.00 0.00 N ATOM 416 P DC B 5 40.106 -8.844 -2.878 1.00 0.00 P ATOM 417 OP1 DC B 5 41.464 -9.431 -2.891 1.00 0.00 O ATOM 418 OP2 DC B 5 39.893 -7.474 -3.397 1.00 0.00 O ATOM 419 O5' DC B 5 39.118 -9.845 -3.666 1.00 0.00 O ATOM 420 C5' DC B 5 39.194 -11.261 -3.451 1.00 0.00 C ATOM 421 C4' DC B 5 38.853 -12.043 -4.718 1.00 0.00 C ATOM 422 O4' DC B 5 37.448 -11.958 -4.977 1.00 0.00 O ATOM 423 C3' DC B 5 39.594 -11.561 -5.957 1.00 0.00 C ATOM 424 O3' DC B 5 40.067 -12.689 -6.703 1.00 0.00 O ATOM 425 C2' DC B 5 38.544 -10.809 -6.757 1.00 0.00 C ATOM 426 C1' DC B 5 37.223 -11.390 -6.266 1.00 0.00 C ATOM 427 N1 DC B 5 36.140 -10.395 -6.119 1.00 0.00 N ATOM 428 C2 DC B 5 34.923 -10.673 -6.724 1.00 0.00 C ATOM 429 O2 DC B 5 34.773 -11.707 -7.371 1.00 0.00 O ATOM 430 N3 DC B 5 33.913 -9.773 -6.582 1.00 0.00 N ATOM 431 C4 DC B 5 34.086 -8.648 -5.878 1.00 0.00 C ATOM 432 N4 DC B 5 33.074 -7.790 -5.759 1.00 0.00 N ATOM 433 C5 DC B 5 35.338 -8.355 -5.254 1.00 0.00 C ATOM 434 C6 DC B 5 36.332 -9.250 -5.397 1.00 0.00 C ATOM 0 H5' DC B 5 38.509 -11.545 -2.652 1.00 0.00 H new ATOM 0 H5'' DC B 5 40.198 -11.525 -3.119 1.00 0.00 H new ATOM 0 H4' DC B 5 39.167 -13.069 -4.527 1.00 0.00 H new ATOM 0 H3' DC B 5 40.458 -10.940 -5.719 1.00 0.00 H new ATOM 0 H2' DC B 5 38.599 -9.735 -6.578 1.00 0.00 H new ATOM 0 H2'' DC B 5 38.674 -10.961 -7.829 1.00 0.00 H new ATOM 0 H1' DC B 5 36.902 -12.113 -7.016 1.00 0.00 H new ATOM 0 H41 DC B 5 33.195 -6.930 -5.225 1.00 0.00 H new ATOM 0 H42 DC B 5 32.178 -7.993 -6.202 1.00 0.00 H new ATOM 0 H5 DC B 5 35.481 -7.447 -4.687 1.00 0.00 H new ATOM 0 H6 DC B 5 37.291 -9.062 -4.937 1.00 0.00 H new ATOM 446 P DG B 6 41.065 -12.491 -7.955 1.00 0.00 P ATOM 447 OP1 DG B 6 42.091 -13.558 -7.905 1.00 0.00 O ATOM 448 OP2 DG B 6 41.481 -11.070 -7.999 1.00 0.00 O ATOM 449 O5' DG B 6 40.103 -12.772 -9.217 1.00 0.00 O ATOM 450 C5' DG B 6 39.555 -14.078 -9.430 1.00 0.00 C ATOM 451 C4' DG B 6 38.474 -14.081 -10.511 1.00 0.00 C ATOM 452 O4' DG B 6 37.397 -13.208 -10.137 1.00 0.00 O ATOM 453 C3' DG B 6 38.956 -13.646 -11.890 1.00 0.00 C ATOM 454 O3' DG B 6 38.333 -14.467 -12.888 1.00 0.00 O ATOM 455 C2' DG B 6 38.462 -12.212 -12.006 1.00 0.00 C ATOM 456 C1' DG B 6 37.192 -12.242 -11.173 1.00 0.00 C ATOM 457 N9 DG B 6 36.837 -10.954 -10.541 1.00 0.00 N ATOM 458 C8 DG B 6 37.655 -9.999 -9.996 1.00 0.00 C ATOM 459 N7 DG B 6 37.016 -8.961 -9.526 1.00 0.00 N ATOM 460 C5 DG B 6 35.678 -9.251 -9.777 1.00 0.00 C ATOM 461 C6 DG B 6 34.504 -8.496 -9.492 1.00 0.00 C ATOM 462 O6 DG B 6 34.412 -7.392 -8.955 1.00 0.00 O ATOM 463 N1 DG B 6 33.361 -9.158 -9.913 1.00 0.00 N ATOM 464 C2 DG B 6 33.342 -10.387 -10.531 1.00 0.00 C ATOM 465 N2 DG B 6 32.145 -10.865 -10.864 1.00 0.00 N ATOM 466 N3 DG B 6 34.436 -11.095 -10.800 1.00 0.00 N ATOM 467 C4 DG B 6 35.563 -10.469 -10.397 1.00 0.00 C ATOM 0 H5' DG B 6 39.134 -14.450 -8.496 1.00 0.00 H new ATOM 0 H5'' DG B 6 40.353 -14.763 -9.715 1.00 0.00 H new ATOM 0 H4' DG B 6 38.156 -15.121 -10.584 1.00 0.00 H new ATOM 0 H3' DG B 6 40.034 -13.731 -12.023 1.00 0.00 H new ATOM 0 H2' DG B 6 39.188 -11.498 -11.616 1.00 0.00 H new ATOM 0 H2'' DG B 6 38.264 -11.932 -13.041 1.00 0.00 H new ATOM 0 H1' DG B 6 36.368 -12.483 -11.845 1.00 0.00 H new ATOM 0 H8 DG B 6 38.730 -10.096 -9.958 1.00 0.00 H new ATOM 0 H1 DG B 6 32.465 -8.698 -9.752 1.00 0.00 H new ATOM 0 H21 DG B 6 32.068 -11.772 -11.325 1.00 0.00 H new ATOM 0 H22 DG B 6 31.305 -10.325 -10.658 1.00 0.00 H new ATOM 479 P DA B 7 38.703 -14.315 -14.450 1.00 0.00 P ATOM 480 OP1 DA B 7 39.044 -15.657 -14.976 1.00 0.00 O ATOM 481 OP2 DA B 7 39.665 -13.200 -14.597 1.00 0.00 O ATOM 482 O5' DA B 7 37.300 -13.857 -15.100 1.00 0.00 O ATOM 483 C5' DA B 7 36.193 -14.765 -15.175 1.00 0.00 C ATOM 484 C4' DA B 7 34.996 -14.144 -15.895 1.00 0.00 C ATOM 485 O4' DA B 7 34.471 -13.059 -15.119 1.00 0.00 O ATOM 486 C3' DA B 7 35.321 -13.608 -17.287 1.00 0.00 C ATOM 487 O3' DA B 7 34.271 -13.977 -18.194 1.00 0.00 O ATOM 488 C2' DA B 7 35.369 -12.098 -17.111 1.00 0.00 C ATOM 489 C1' DA B 7 34.500 -11.852 -15.887 1.00 0.00 C ATOM 490 N9 DA B 7 35.013 -10.789 -15.011 1.00 0.00 N ATOM 491 C8 DA B 7 36.269 -10.656 -14.484 1.00 0.00 C ATOM 492 N7 DA B 7 36.420 -9.594 -13.739 1.00 0.00 N ATOM 493 C5 DA B 7 35.169 -8.982 -13.779 1.00 0.00 C ATOM 494 C6 DA B 7 34.664 -7.809 -13.194 1.00 0.00 C ATOM 495 N6 DA B 7 35.390 -7.006 -12.419 1.00 0.00 N ATOM 496 N1 DA B 7 33.381 -7.500 -13.442 1.00 0.00 N ATOM 497 C2 DA B 7 32.658 -8.300 -14.216 1.00 0.00 C ATOM 498 N3 DA B 7 33.015 -9.421 -14.819 1.00 0.00 N ATOM 499 C4 DA B 7 34.306 -9.706 -14.552 1.00 0.00 C ATOM 0 H5' DA B 7 35.898 -15.062 -14.169 1.00 0.00 H new ATOM 0 H5'' DA B 7 36.501 -15.671 -15.697 1.00 0.00 H new ATOM 0 H4' DA B 7 34.272 -14.951 -16.011 1.00 0.00 H new ATOM 0 H3' DA B 7 36.254 -14.001 -17.691 1.00 0.00 H new ATOM 0 H2' DA B 7 36.388 -11.745 -16.956 1.00 0.00 H new ATOM 0 H2'' DA B 7 34.982 -11.580 -17.988 1.00 0.00 H new ATOM 0 H1' DA B 7 33.518 -11.544 -16.245 1.00 0.00 H new ATOM 0 H8 DA B 7 37.063 -11.365 -14.667 1.00 0.00 H new ATOM 0 H61 DA B 7 34.971 -6.166 -12.020 1.00 0.00 H new ATOM 0 H62 DA B 7 36.366 -7.231 -12.224 1.00 0.00 H new ATOM 0 H2 DA B 7 31.635 -7.992 -14.375 1.00 0.00 H new ATOM 511 P DC B 8 34.266 -13.473 -19.728 1.00 0.00 P ATOM 512 OP1 DC B 8 33.630 -14.522 -20.557 1.00 0.00 O ATOM 513 OP2 DC B 8 35.623 -12.987 -20.066 1.00 0.00 O ATOM 514 O5' DC B 8 33.274 -12.202 -19.673 1.00 0.00 O ATOM 515 C5' DC B 8 31.902 -12.363 -19.289 1.00 0.00 C ATOM 516 C4' DC B 8 31.183 -11.018 -19.188 1.00 0.00 C ATOM 517 O4' DC B 8 31.804 -10.222 -18.168 1.00 0.00 O ATOM 518 C3' DC B 8 31.199 -10.204 -20.489 1.00 0.00 C ATOM 519 O3' DC B 8 29.887 -9.736 -20.824 1.00 0.00 O ATOM 520 C2' DC B 8 32.133 -9.042 -20.176 1.00 0.00 C ATOM 521 C1' DC B 8 31.993 -8.903 -18.672 1.00 0.00 C ATOM 522 N1 DC B 8 33.174 -8.323 -17.999 1.00 0.00 N ATOM 523 C2 DC B 8 32.976 -7.184 -17.236 1.00 0.00 C ATOM 524 O2 DC B 8 31.855 -6.694 -17.140 1.00 0.00 O ATOM 525 N3 DC B 8 34.047 -6.633 -16.607 1.00 0.00 N ATOM 526 C4 DC B 8 35.264 -7.175 -16.719 1.00 0.00 C ATOM 527 N4 DC B 8 36.289 -6.606 -16.086 1.00 0.00 N ATOM 528 C5 DC B 8 35.476 -8.351 -17.505 1.00 0.00 C ATOM 529 C6 DC B 8 34.409 -8.890 -18.125 1.00 0.00 C ATOM 0 H5' DC B 8 31.850 -12.876 -18.329 1.00 0.00 H new ATOM 0 H5'' DC B 8 31.392 -12.995 -20.016 1.00 0.00 H new ATOM 0 H4' DC B 8 30.144 -11.251 -18.957 1.00 0.00 H new ATOM 0 H3' DC B 8 31.527 -10.790 -21.348 1.00 0.00 H new ATOM 0 H2' DC B 8 33.160 -9.257 -20.470 1.00 0.00 H new ATOM 0 H2'' DC B 8 31.837 -8.132 -20.697 1.00 0.00 H new ATOM 0 HO3' DC B 8 29.926 -9.219 -21.656 1.00 0.00 H new ATOM 0 H1' DC B 8 31.166 -8.222 -18.473 1.00 0.00 H new ATOM 0 H41 DC B 8 37.223 -7.009 -16.163 1.00 0.00 H new ATOM 0 H42 DC B 8 36.140 -5.767 -15.525 1.00 0.00 H new ATOM 0 H5 DC B 8 36.458 -8.791 -17.598 1.00 0.00 H new ATOM 0 H6 DC B 8 34.532 -9.778 -18.727 1.00 0.00 H new TER 542 DC B 8