USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 170 hydrogens (30 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 DA O5' : rot 28:sc= 0.0147 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.109 (180deg=-0.549) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 25:sc= 0.00407 USER MOD Single : B 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -7.667 10.885 -9.288 1.00 10.00 O ATOM 2 C5' DA A 1 -9.037 10.595 -9.110 1.00 10.00 C ATOM 3 C4' DA A 1 -9.221 9.199 -8.507 1.00 10.00 C ATOM 4 O4' DA A 1 -8.598 8.216 -9.316 1.00 10.00 O ATOM 5 C3' DA A 1 -8.582 9.048 -7.128 1.00 10.00 C ATOM 6 O3' DA A 1 -9.439 9.532 -6.109 1.00 10.00 O ATOM 7 C2' DA A 1 -8.365 7.540 -7.058 1.00 10.00 C ATOM 8 C1' DA A 1 -8.328 7.077 -8.513 1.00 10.00 C ATOM 9 N9 DA A 1 -7.019 6.491 -8.850 1.00 10.00 N ATOM 10 C8 DA A 1 -5.879 7.160 -9.168 1.00 10.00 C ATOM 11 N7 DA A 1 -4.872 6.399 -9.496 1.00 10.00 N ATOM 12 C5 DA A 1 -5.389 5.114 -9.367 1.00 10.00 C ATOM 13 C6 DA A 1 -4.842 3.829 -9.574 1.00 10.00 C ATOM 14 N6 DA A 1 -3.593 3.629 -10.009 1.00 10.00 N ATOM 15 N1 DA A 1 -5.618 2.758 -9.319 1.00 10.00 N ATOM 16 C2 DA A 1 -6.864 2.944 -8.889 1.00 10.00 C ATOM 17 N3 DA A 1 -7.498 4.093 -8.671 1.00 10.00 N ATOM 18 C4 DA A 1 -6.694 5.158 -8.936 1.00 10.00 C ATOM 0 H5' DA A 1 -9.554 10.654 -10.068 1.00 10.00 H new ATOM 0 H5'' DA A 1 -9.490 11.341 -8.457 1.00 10.00 H new ATOM 0 H4' DA A 1 -10.301 9.068 -8.439 1.00 10.00 H new ATOM 0 H3' DA A 1 -7.665 9.619 -6.985 1.00 10.00 H new ATOM 0 H2' DA A 1 -7.435 7.299 -6.543 1.00 10.00 H new ATOM 0 H2'' DA A 1 -9.169 7.051 -6.509 1.00 10.00 H new ATOM 0 HO5' DA A 1 -7.171 10.051 -9.424 1.00 10.00 H new ATOM 0 H1' DA A 1 -9.070 6.298 -8.687 1.00 10.00 H new ATOM 0 H8 DA A 1 -5.812 8.238 -9.150 1.00 10.00 H new ATOM 0 H61 DA A 1 -3.245 2.679 -10.142 1.00 10.00 H new ATOM 0 H62 DA A 1 -2.988 4.426 -10.207 1.00 10.00 H new ATOM 0 H2 DA A 1 -7.433 2.047 -8.692 1.00 10.00 H new ATOM 31 P DT A 2 -8.930 9.728 -4.586 1.00 10.00 P ATOM 32 OP1 DT A 2 -10.024 10.362 -3.817 1.00 10.00 O ATOM 33 OP2 DT A 2 -7.597 10.369 -4.626 1.00 10.00 O ATOM 34 O5' DT A 2 -8.740 8.221 -4.045 1.00 10.00 O ATOM 35 C5' DT A 2 -9.837 7.427 -3.629 1.00 10.00 C ATOM 36 C4' DT A 2 -9.351 6.002 -3.346 1.00 10.00 C ATOM 37 O4' DT A 2 -8.665 5.500 -4.477 1.00 10.00 O ATOM 38 C3' DT A 2 -8.369 5.936 -2.173 1.00 10.00 C ATOM 39 O3' DT A 2 -9.060 5.614 -0.974 1.00 10.00 O ATOM 40 C2' DT A 2 -7.378 4.860 -2.599 1.00 10.00 C ATOM 41 C1' DT A 2 -7.724 4.533 -4.054 1.00 10.00 C ATOM 42 N1 DT A 2 -6.514 4.612 -4.906 1.00 10.00 N ATOM 43 C2 DT A 2 -6.044 3.472 -5.555 1.00 10.00 C ATOM 44 O2 DT A 2 -6.616 2.385 -5.515 1.00 10.00 O ATOM 45 N3 DT A 2 -4.863 3.622 -6.267 1.00 10.00 N ATOM 46 C4 DT A 2 -4.130 4.793 -6.397 1.00 10.00 C ATOM 47 O4 DT A 2 -3.068 4.781 -7.016 1.00 10.00 O ATOM 48 C5 DT A 2 -4.726 5.948 -5.744 1.00 10.00 C ATOM 49 C7 DT A 2 -4.086 7.318 -5.864 1.00 10.00 C ATOM 50 C6 DT A 2 -5.867 5.813 -5.022 1.00 10.00 C ATOM 0 H5' DT A 2 -10.606 7.415 -4.402 1.00 10.00 H new ATOM 0 H5'' DT A 2 -10.291 7.853 -2.734 1.00 10.00 H new ATOM 0 H4' DT A 2 -10.239 5.418 -3.107 1.00 10.00 H new ATOM 0 H3' DT A 2 -7.864 6.878 -1.959 1.00 10.00 H new ATOM 0 H2' DT A 2 -6.351 5.216 -2.511 1.00 10.00 H new ATOM 0 H2'' DT A 2 -7.464 3.976 -1.968 1.00 10.00 H new ATOM 0 H1' DT A 2 -8.125 3.523 -4.135 1.00 10.00 H new ATOM 0 H3 DT A 2 -4.499 2.794 -6.739 1.00 10.00 H new ATOM 0 H71 DT A 2 -3.008 7.207 -5.978 1.00 10.00 H new ATOM 0 H72 DT A 2 -4.491 7.834 -6.734 1.00 10.00 H new ATOM 0 H73 DT A 2 -4.298 7.899 -4.966 1.00 10.00 H new ATOM 0 H6 DT A 2 -6.277 6.679 -4.524 1.00 10.00 H new ATOM 63 P DG A 3 -8.310 5.402 0.448 1.00 10.00 P ATOM 64 OP1 DG A 3 -9.272 5.732 1.522 1.00 10.00 O ATOM 65 OP2 DG A 3 -7.005 6.099 0.397 1.00 10.00 O ATOM 66 O5' DG A 3 -8.017 3.811 0.518 1.00 10.00 O ATOM 67 C5' DG A 3 -9.064 2.855 0.549 1.00 10.00 C ATOM 68 C4' DG A 3 -8.503 1.436 0.743 1.00 10.00 C ATOM 69 O4' DG A 3 -7.293 1.236 0.016 1.00 10.00 O ATOM 70 C3' DG A 3 -8.216 1.129 2.214 1.00 10.00 C ATOM 71 O3' DG A 3 -8.645 -0.201 2.461 1.00 10.00 O ATOM 72 C2' DG A 3 -6.706 1.307 2.293 1.00 10.00 C ATOM 73 C1' DG A 3 -6.253 0.851 0.906 1.00 10.00 C ATOM 74 N9 DG A 3 -4.975 1.479 0.487 1.00 10.00 N ATOM 75 C8 DG A 3 -4.628 2.807 0.528 1.00 10.00 C ATOM 76 N7 DG A 3 -3.427 3.063 0.088 1.00 10.00 N ATOM 77 C5 DG A 3 -2.942 1.817 -0.291 1.00 10.00 C ATOM 78 C6 DG A 3 -1.679 1.464 -0.852 1.00 10.00 C ATOM 79 O6 DG A 3 -0.743 2.210 -1.120 1.00 10.00 O ATOM 80 N1 DG A 3 -1.569 0.103 -1.118 1.00 10.00 N ATOM 81 C2 DG A 3 -2.574 -0.816 -0.879 1.00 10.00 C ATOM 82 N2 DG A 3 -2.318 -2.089 -1.199 1.00 10.00 N ATOM 83 N3 DG A 3 -3.761 -0.488 -0.338 1.00 10.00 N ATOM 84 C4 DG A 3 -3.886 0.841 -0.068 1.00 10.00 C ATOM 0 H5' DG A 3 -9.633 2.902 -0.380 1.00 10.00 H new ATOM 0 H5'' DG A 3 -9.755 3.092 1.358 1.00 10.00 H new ATOM 0 H4' DG A 3 -9.277 0.766 0.368 1.00 10.00 H new ATOM 0 H3' DG A 3 -8.720 1.752 2.953 1.00 10.00 H new ATOM 0 H2' DG A 3 -6.428 2.342 2.492 1.00 10.00 H new ATOM 0 H2'' DG A 3 -6.266 0.701 3.085 1.00 10.00 H new ATOM 0 H1' DG A 3 -6.072 -0.224 0.907 1.00 10.00 H new ATOM 0 H8 DG A 3 -5.293 3.575 0.894 1.00 10.00 H new ATOM 0 H1 DG A 3 -0.693 -0.238 -1.514 1.00 10.00 H new ATOM 0 H21 DG A 3 -3.026 -2.806 -1.043 1.00 10.00 H new ATOM 0 H22 DG A 3 -1.415 -2.342 -1.599 1.00 10.00 H new ATOM 96 P DC A 4 -8.557 -0.899 3.913 1.00 10.00 P ATOM 97 OP1 DC A 4 -9.745 -1.763 4.087 1.00 10.00 O ATOM 98 OP2 DC A 4 -8.243 0.137 4.922 1.00 10.00 O ATOM 99 O5' DC A 4 -7.264 -1.840 3.737 1.00 10.00 O ATOM 100 C5' DC A 4 -7.318 -3.040 2.985 1.00 10.00 C ATOM 101 C4' DC A 4 -5.908 -3.622 2.858 1.00 10.00 C ATOM 102 O4' DC A 4 -5.084 -2.673 2.214 1.00 10.00 O ATOM 103 C3' DC A 4 -5.276 -3.931 4.221 1.00 10.00 C ATOM 104 O3' DC A 4 -5.247 -5.332 4.445 1.00 10.00 O ATOM 105 C2' DC A 4 -3.882 -3.323 4.125 1.00 10.00 C ATOM 106 C1' DC A 4 -3.764 -2.848 2.677 1.00 10.00 C ATOM 107 N1 DC A 4 -3.066 -1.542 2.647 1.00 10.00 N ATOM 108 C2 DC A 4 -1.778 -1.441 2.120 1.00 10.00 C ATOM 109 O2 DC A 4 -1.185 -2.423 1.679 1.00 10.00 O ATOM 110 N3 DC A 4 -1.183 -0.213 2.105 1.00 10.00 N ATOM 111 C4 DC A 4 -1.805 0.864 2.609 1.00 10.00 C ATOM 112 N4 DC A 4 -1.178 2.042 2.569 1.00 10.00 N ATOM 113 C5 DC A 4 -3.117 0.769 3.184 1.00 10.00 C ATOM 114 C6 DC A 4 -3.696 -0.449 3.179 1.00 10.00 C ATOM 0 H5' DC A 4 -7.733 -2.845 1.996 1.00 10.00 H new ATOM 0 H5'' DC A 4 -7.978 -3.758 3.472 1.00 10.00 H new ATOM 0 H4' DC A 4 -5.989 -4.552 2.295 1.00 10.00 H new ATOM 0 H3' DC A 4 -5.832 -3.520 5.064 1.00 10.00 H new ATOM 0 H2' DC A 4 -3.762 -2.495 4.824 1.00 10.00 H new ATOM 0 H2'' DC A 4 -3.113 -4.057 4.365 1.00 10.00 H new ATOM 0 H1' DC A 4 -3.209 -3.559 2.065 1.00 10.00 H new ATOM 0 H41 DC A 4 -1.631 2.874 2.946 1.00 10.00 H new ATOM 0 H42 DC A 4 -0.245 2.110 2.161 1.00 10.00 H new ATOM 0 H5 DC A 4 -3.616 1.631 3.600 1.00 10.00 H new ATOM 0 H6 DC A 4 -4.681 -0.565 3.605 1.00 10.00 H new ATOM 126 P DA A 5 -4.947 -5.977 5.901 1.00 10.00 P ATOM 127 OP1 DA A 5 -5.399 -7.386 5.868 1.00 10.00 O ATOM 128 OP2 DA A 5 -5.490 -5.066 6.933 1.00 10.00 O ATOM 129 O5' DA A 5 -3.337 -5.975 6.043 1.00 10.00 O ATOM 130 C5' DA A 5 -2.516 -6.838 5.275 1.00 10.00 C ATOM 131 C4' DA A 5 -1.079 -6.813 5.807 1.00 10.00 C ATOM 132 O4' DA A 5 -0.553 -5.495 5.851 1.00 10.00 O ATOM 133 C3' DA A 5 -0.979 -7.386 7.230 1.00 10.00 C ATOM 134 O3' DA A 5 -0.375 -8.668 7.185 1.00 10.00 O ATOM 135 C2' DA A 5 -0.154 -6.335 7.980 1.00 10.00 C ATOM 136 C1' DA A 5 0.427 -5.463 6.872 1.00 10.00 C ATOM 137 N9 DA A 5 0.677 -4.081 7.328 1.00 10.00 N ATOM 138 C8 DA A 5 -0.236 -3.220 7.862 1.00 10.00 C ATOM 139 N7 DA A 5 0.212 -2.015 8.079 1.00 10.00 N ATOM 140 C5 DA A 5 1.535 -2.086 7.657 1.00 10.00 C ATOM 141 C6 DA A 5 2.568 -1.128 7.580 1.00 10.00 C ATOM 142 N6 DA A 5 2.399 0.148 7.944 1.00 10.00 N ATOM 143 N1 DA A 5 3.768 -1.516 7.110 1.00 10.00 N ATOM 144 C2 DA A 5 3.936 -2.783 6.735 1.00 10.00 C ATOM 145 N3 DA A 5 3.047 -3.774 6.749 1.00 10.00 N ATOM 146 C4 DA A 5 1.842 -3.354 7.225 1.00 10.00 C ATOM 0 H5' DA A 5 -2.530 -6.530 4.229 1.00 10.00 H new ATOM 0 H5'' DA A 5 -2.908 -7.854 5.313 1.00 10.00 H new ATOM 0 H4' DA A 5 -0.507 -7.428 5.112 1.00 10.00 H new ATOM 0 H3' DA A 5 -1.935 -7.550 7.727 1.00 10.00 H new ATOM 0 H2' DA A 5 -0.774 -5.753 8.662 1.00 10.00 H new ATOM 0 H2'' DA A 5 0.632 -6.797 8.578 1.00 10.00 H new ATOM 0 H1' DA A 5 1.397 -5.829 6.535 1.00 10.00 H new ATOM 0 H8 DA A 5 -1.251 -3.513 8.087 1.00 10.00 H new ATOM 0 H61 DA A 5 3.175 0.806 7.871 1.00 10.00 H new ATOM 0 H62 DA A 5 1.494 0.463 8.294 1.00 10.00 H new ATOM 0 H2 DA A 5 4.921 -3.040 6.373 1.00 10.00 H new ATOM 158 P DT A 6 -0.193 -9.591 8.503 1.00 10.00 P ATOM 159 OP1 DT A 6 -0.042 -10.997 8.067 1.00 10.00 O ATOM 160 OP2 DT A 6 -1.238 -9.232 9.487 1.00 10.00 O ATOM 161 O5' DT A 6 1.227 -9.090 9.073 1.00 10.00 O ATOM 162 C5' DT A 6 2.425 -9.356 8.373 1.00 10.00 C ATOM 163 C4' DT A 6 3.589 -8.551 8.953 1.00 10.00 C ATOM 164 O4' DT A 6 3.393 -7.166 8.746 1.00 10.00 O ATOM 165 C3' DT A 6 3.774 -8.693 10.463 1.00 10.00 C ATOM 166 O3' DT A 6 4.584 -9.803 10.787 1.00 10.00 O ATOM 167 C2' DT A 6 4.444 -7.374 10.849 1.00 10.00 C ATOM 168 C1' DT A 6 4.282 -6.484 9.610 1.00 10.00 C ATOM 169 N1 DT A 6 3.739 -5.143 9.955 1.00 10.00 N ATOM 170 C2 DT A 6 4.541 -4.021 9.749 1.00 10.00 C ATOM 171 O2 DT A 6 5.677 -4.076 9.284 1.00 10.00 O ATOM 172 N3 DT A 6 3.987 -2.800 10.101 1.00 10.00 N ATOM 173 C4 DT A 6 2.725 -2.595 10.634 1.00 10.00 C ATOM 174 O4 DT A 6 2.349 -1.454 10.892 1.00 10.00 O ATOM 175 C5 DT A 6 1.955 -3.812 10.826 1.00 10.00 C ATOM 176 C7 DT A 6 0.566 -3.723 11.427 1.00 10.00 C ATOM 177 C6 DT A 6 2.477 -5.019 10.487 1.00 10.00 C ATOM 0 H5' DT A 6 2.297 -9.109 7.319 1.00 10.00 H new ATOM 0 H5'' DT A 6 2.652 -10.421 8.426 1.00 10.00 H new ATOM 0 H4' DT A 6 4.460 -8.954 8.436 1.00 10.00 H new ATOM 0 H3' DT A 6 2.839 -8.871 10.994 1.00 10.00 H new ATOM 0 H2' DT A 6 3.969 -6.928 11.723 1.00 10.00 H new ATOM 0 H2'' DT A 6 5.495 -7.521 11.098 1.00 10.00 H new ATOM 0 HO3' DT A 6 4.683 -9.863 11.760 1.00 10.00 H new ATOM 0 H1' DT A 6 5.251 -6.309 9.142 1.00 10.00 H new ATOM 0 H3 DT A 6 4.565 -1.972 9.953 1.00 10.00 H new ATOM 0 H71 DT A 6 -0.051 -4.533 11.038 1.00 10.00 H new ATOM 0 H72 DT A 6 0.633 -3.806 12.512 1.00 10.00 H new ATOM 0 H73 DT A 6 0.116 -2.766 11.164 1.00 10.00 H new ATOM 0 H6 DT A 6 1.883 -5.908 10.640 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 10.936 5.955 10.620 1.00 10.00 O ATOM 193 C5' DA B 1 12.089 5.183 10.361 1.00 10.00 C ATOM 194 C4' DA B 1 11.739 3.921 9.567 1.00 10.00 C ATOM 195 O4' DA B 1 10.780 3.136 10.254 1.00 10.00 O ATOM 196 C3' DA B 1 11.111 4.218 8.206 1.00 10.00 C ATOM 197 O3' DA B 1 12.101 4.492 7.230 1.00 10.00 O ATOM 198 C2' DA B 1 10.350 2.925 7.934 1.00 10.00 C ATOM 199 C1' DA B 1 10.119 2.306 9.312 1.00 10.00 C ATOM 200 N9 DA B 1 8.679 2.207 9.609 1.00 10.00 N ATOM 201 C8 DA B 1 7.864 3.199 10.060 1.00 10.00 C ATOM 202 N7 DA B 1 6.637 2.830 10.301 1.00 10.00 N ATOM 203 C5 DA B 1 6.637 1.480 9.961 1.00 10.00 C ATOM 204 C6 DA B 1 5.641 0.480 9.978 1.00 10.00 C ATOM 205 N6 DA B 1 4.391 0.700 10.405 1.00 10.00 N ATOM 206 N1 DA B 1 5.963 -0.747 9.529 1.00 10.00 N ATOM 207 C2 DA B 1 7.201 -0.980 9.098 1.00 10.00 C ATOM 208 N3 DA B 1 8.228 -0.135 9.046 1.00 10.00 N ATOM 209 C4 DA B 1 7.875 1.098 9.501 1.00 10.00 C ATOM 0 H5' DA B 1 12.563 4.905 11.302 1.00 10.00 H new ATOM 0 H5'' DA B 1 12.812 5.779 9.804 1.00 10.00 H new ATOM 0 H4' DA B 1 12.692 3.406 9.442 1.00 10.00 H new ATOM 0 H3' DA B 1 10.475 5.103 8.182 1.00 10.00 H new ATOM 0 H2' DA B 1 9.406 3.122 7.426 1.00 10.00 H new ATOM 0 H2'' DA B 1 10.924 2.257 7.292 1.00 10.00 H new ATOM 0 HO5' DA B 1 10.146 5.376 10.611 1.00 10.00 H new ATOM 0 H1' DA B 1 10.515 1.291 9.352 1.00 10.00 H new ATOM 0 H8 DA B 1 8.207 4.213 10.207 1.00 10.00 H new ATOM 0 H61 DA B 1 3.708 -0.058 10.397 1.00 10.00 H new ATOM 0 H62 DA B 1 4.122 1.625 10.739 1.00 10.00 H new ATOM 0 H2 DA B 1 7.397 -1.982 8.746 1.00 10.00 H new ATOM 222 P DT B 2 11.722 5.077 5.770 1.00 10.00 P ATOM 223 OP1 DT B 2 12.984 5.369 5.054 1.00 10.00 O ATOM 224 OP2 DT B 2 10.719 6.149 5.953 1.00 10.00 O ATOM 225 O5' DT B 2 10.997 3.839 5.034 1.00 10.00 O ATOM 226 C5' DT B 2 11.731 2.768 4.466 1.00 10.00 C ATOM 227 C4' DT B 2 10.759 1.684 3.990 1.00 10.00 C ATOM 228 O4' DT B 2 9.920 1.289 5.057 1.00 10.00 O ATOM 229 C3' DT B 2 9.841 2.167 2.863 1.00 10.00 C ATOM 230 O3' DT B 2 10.399 1.812 1.606 1.00 10.00 O ATOM 231 C2' DT B 2 8.519 1.465 3.156 1.00 10.00 C ATOM 232 C1' DT B 2 8.699 0.810 4.528 1.00 10.00 C ATOM 233 N1 DT B 2 7.589 1.198 5.429 1.00 10.00 N ATOM 234 C2 DT B 2 6.704 0.231 5.901 1.00 10.00 C ATOM 235 O2 DT B 2 6.817 -0.968 5.657 1.00 10.00 O ATOM 236 N3 DT B 2 5.653 0.698 6.678 1.00 10.00 N ATOM 237 C4 DT B 2 5.422 2.022 7.027 1.00 10.00 C ATOM 238 O4 DT B 2 4.423 2.318 7.678 1.00 10.00 O ATOM 239 C5 DT B 2 6.427 2.955 6.544 1.00 10.00 C ATOM 240 C7 DT B 2 6.349 4.425 6.909 1.00 10.00 C ATOM 241 C6 DT B 2 7.444 2.519 5.762 1.00 10.00 C ATOM 0 H5' DT B 2 12.422 2.356 5.201 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.332 3.127 3.630 1.00 10.00 H new ATOM 0 H4' DT B 2 11.376 0.862 3.626 1.00 10.00 H new ATOM 0 H3' DT B 2 9.709 3.248 2.818 1.00 10.00 H new ATOM 0 H2' DT B 2 7.692 2.174 3.165 1.00 10.00 H new ATOM 0 H2'' DT B 2 8.292 0.721 2.393 1.00 10.00 H new ATOM 0 H1' DT B 2 8.703 -0.276 4.437 1.00 10.00 H new ATOM 0 H3 DT B 2 4.989 0.005 7.024 1.00 10.00 H new ATOM 0 H71 DT B 2 7.354 4.844 6.947 1.00 10.00 H new ATOM 0 H72 DT B 2 5.762 4.956 6.159 1.00 10.00 H new ATOM 0 H73 DT B 2 5.874 4.533 7.884 1.00 10.00 H new ATOM 0 H6 DT B 2 8.162 3.235 5.390 1.00 10.00 H new ATOM 254 P DG B 3 9.664 2.121 0.197 1.00 10.00 P ATOM 255 OP1 DG B 3 10.711 2.287 -0.835 1.00 10.00 O ATOM 256 OP2 DG B 3 8.673 3.199 0.411 1.00 10.00 O ATOM 257 O5' DG B 3 8.851 0.763 -0.135 1.00 10.00 O ATOM 258 C5' DG B 3 9.508 -0.476 -0.348 1.00 10.00 C ATOM 259 C4' DG B 3 8.519 -1.533 -0.861 1.00 10.00 C ATOM 260 O4' DG B 3 7.281 -1.485 -0.156 1.00 10.00 O ATOM 261 C3' DG B 3 8.213 -1.346 -2.348 1.00 10.00 C ATOM 262 O3' DG B 3 8.147 -2.635 -2.938 1.00 10.00 O ATOM 263 C2' DG B 3 6.874 -0.623 -2.310 1.00 10.00 C ATOM 264 C1' DG B 3 6.219 -1.220 -1.065 1.00 10.00 C ATOM 265 N9 DG B 3 5.238 -0.301 -0.437 1.00 10.00 N ATOM 266 C8 DG B 3 5.380 1.035 -0.149 1.00 10.00 C ATOM 267 N7 DG B 3 4.326 1.585 0.386 1.00 10.00 N ATOM 268 C5 DG B 3 3.421 0.536 0.487 1.00 10.00 C ATOM 269 C6 DG B 3 2.088 0.526 0.995 1.00 10.00 C ATOM 270 O6 DG B 3 1.450 1.474 1.444 1.00 10.00 O ATOM 271 N1 DG B 3 1.509 -0.738 0.959 1.00 10.00 N ATOM 272 C2 DG B 3 2.144 -1.870 0.480 1.00 10.00 C ATOM 273 N2 DG B 3 1.453 -3.013 0.514 1.00 10.00 N ATOM 274 N3 DG B 3 3.390 -1.858 -0.023 1.00 10.00 N ATOM 275 C4 DG B 3 3.977 -0.629 0.010 1.00 10.00 C ATOM 0 H5' DG B 3 9.963 -0.817 0.582 1.00 10.00 H new ATOM 0 H5'' DG B 3 10.316 -0.346 -1.069 1.00 10.00 H new ATOM 0 H4' DG B 3 9.003 -2.496 -0.697 1.00 10.00 H new ATOM 0 H3' DG B 3 8.943 -0.787 -2.933 1.00 10.00 H new ATOM 0 H2' DG B 3 6.997 0.457 -2.227 1.00 10.00 H new ATOM 0 H2'' DG B 3 6.285 -0.809 -3.208 1.00 10.00 H new ATOM 0 H1' DG B 3 5.660 -2.116 -1.334 1.00 10.00 H new ATOM 0 H8 DG B 3 6.289 1.583 -0.349 1.00 10.00 H new ATOM 0 H1 DG B 3 0.556 -0.837 1.308 1.00 10.00 H new ATOM 0 H21 DG B 3 1.877 -3.876 0.172 1.00 10.00 H new ATOM 0 H22 DG B 3 0.502 -3.023 0.882 1.00 10.00 H new ATOM 287 P DC B 4 7.870 -2.867 -4.511 1.00 10.00 P ATOM 288 OP1 DC B 4 8.682 -4.019 -4.962 1.00 10.00 O ATOM 289 OP2 DC B 4 7.977 -1.569 -5.213 1.00 10.00 O ATOM 290 O5' DC B 4 6.322 -3.309 -4.503 1.00 10.00 O ATOM 291 C5' DC B 4 5.924 -4.604 -4.086 1.00 10.00 C ATOM 292 C4' DC B 4 4.395 -4.696 -4.057 1.00 10.00 C ATOM 293 O4' DC B 4 3.938 -3.718 -3.144 1.00 10.00 O ATOM 294 C3' DC B 4 3.807 -4.385 -5.453 1.00 10.00 C ATOM 295 O3' DC B 4 3.048 -5.336 -6.196 1.00 10.00 O ATOM 296 C2' DC B 4 2.767 -3.315 -5.125 1.00 10.00 C ATOM 297 C1' DC B 4 2.697 -3.241 -3.600 1.00 10.00 C ATOM 298 N1 DC B 4 2.512 -1.832 -3.181 1.00 10.00 N ATOM 299 C2 DC B 4 1.325 -1.427 -2.566 1.00 10.00 C ATOM 300 O2 DC B 4 0.415 -2.220 -2.333 1.00 10.00 O ATOM 301 N3 DC B 4 1.190 -0.111 -2.228 1.00 10.00 N ATOM 302 C4 DC B 4 2.163 0.775 -2.493 1.00 10.00 C ATOM 303 N4 DC B 4 1.977 2.051 -2.148 1.00 10.00 N ATOM 304 C5 DC B 4 3.384 0.377 -3.135 1.00 10.00 C ATOM 305 C6 DC B 4 3.504 -0.929 -3.458 1.00 10.00 C ATOM 0 H5' DC B 4 6.329 -4.817 -3.097 1.00 10.00 H new ATOM 0 H5'' DC B 4 6.329 -5.355 -4.765 1.00 10.00 H new ATOM 0 H4' DC B 4 4.085 -5.700 -3.766 1.00 10.00 H new ATOM 0 H3' DC B 4 4.682 -4.209 -6.079 1.00 10.00 H new ATOM 0 H2' DC B 4 3.052 -2.352 -5.549 1.00 10.00 H new ATOM 0 H2'' DC B 4 1.796 -3.574 -5.547 1.00 10.00 H new ATOM 0 H1' DC B 4 1.868 -3.822 -3.197 1.00 10.00 H new ATOM 0 H41 DC B 4 2.702 2.742 -2.339 1.00 10.00 H new ATOM 0 H42 DC B 4 1.109 2.335 -1.693 1.00 10.00 H new ATOM 0 H5 DC B 4 4.169 1.088 -3.349 1.00 10.00 H new ATOM 0 H6 DC B 4 4.405 -1.270 -3.947 1.00 10.00 H new ATOM 317 P DA B 5 2.189 -6.579 -5.612 1.00 10.00 P ATOM 318 OP1 DA B 5 2.012 -6.458 -4.148 1.00 10.00 O ATOM 319 OP2 DA B 5 2.689 -7.838 -6.207 1.00 10.00 O ATOM 320 O5' DA B 5 0.780 -6.191 -6.306 1.00 10.00 O ATOM 321 C5' DA B 5 -0.459 -6.435 -5.667 1.00 10.00 C ATOM 322 C4' DA B 5 -1.624 -5.772 -6.414 1.00 10.00 C ATOM 323 O4' DA B 5 -1.529 -4.354 -6.405 1.00 10.00 O ATOM 324 C3' DA B 5 -1.755 -6.184 -7.889 1.00 10.00 C ATOM 325 O3' DA B 5 -2.789 -7.146 -8.024 1.00 10.00 O ATOM 326 C2' DA B 5 -2.040 -4.856 -8.608 1.00 10.00 C ATOM 327 C1' DA B 5 -2.318 -3.870 -7.478 1.00 10.00 C ATOM 328 N9 DA B 5 -1.987 -2.472 -7.824 1.00 10.00 N ATOM 329 C8 DA B 5 -0.794 -1.988 -8.272 1.00 10.00 C ATOM 330 N7 DA B 5 -0.725 -0.687 -8.343 1.00 10.00 N ATOM 331 C5 DA B 5 -1.981 -0.274 -7.911 1.00 10.00 C ATOM 332 C6 DA B 5 -2.552 0.996 -7.679 1.00 10.00 C ATOM 333 N6 DA B 5 -1.880 2.141 -7.847 1.00 10.00 N ATOM 334 N1 DA B 5 -3.825 1.056 -7.245 1.00 10.00 N ATOM 335 C2 DA B 5 -4.496 -0.076 -7.044 1.00 10.00 C ATOM 336 N3 DA B 5 -4.068 -1.327 -7.201 1.00 10.00 N ATOM 337 C4 DA B 5 -2.778 -1.360 -7.638 1.00 10.00 C ATOM 0 H5' DA B 5 -0.421 -6.059 -4.645 1.00 10.00 H new ATOM 0 H5'' DA B 5 -0.631 -7.510 -5.605 1.00 10.00 H new ATOM 0 H4' DA B 5 -2.497 -6.123 -5.864 1.00 10.00 H new ATOM 0 H3' DA B 5 -0.873 -6.667 -8.311 1.00 10.00 H new ATOM 0 H2' DA B 5 -1.190 -4.540 -9.212 1.00 10.00 H new ATOM 0 H2'' DA B 5 -2.894 -4.942 -9.280 1.00 10.00 H new ATOM 0 H1' DA B 5 -3.380 -3.824 -7.238 1.00 10.00 H new ATOM 0 H8 DA B 5 0.029 -2.631 -8.547 1.00 10.00 H new ATOM 0 H61 DA B 5 -2.339 3.033 -7.665 1.00 10.00 H new ATOM 0 H62 DA B 5 -0.908 2.121 -8.157 1.00 10.00 H new ATOM 0 H2 DA B 5 -5.518 0.034 -6.711 1.00 10.00 H new ATOM 349 P DT B 6 -3.191 -7.799 -9.449 1.00 10.00 P ATOM 350 OP1 DT B 6 -3.867 -9.091 -9.193 1.00 10.00 O ATOM 351 OP2 DT B 6 -2.017 -7.747 -10.348 1.00 10.00 O ATOM 352 O5' DT B 6 -4.291 -6.758 -9.996 1.00 10.00 O ATOM 353 C5' DT B 6 -5.539 -6.615 -9.348 1.00 10.00 C ATOM 354 C4' DT B 6 -6.294 -5.385 -9.856 1.00 10.00 C ATOM 355 O4' DT B 6 -5.630 -4.191 -9.490 1.00 10.00 O ATOM 356 C3' DT B 6 -6.431 -5.296 -11.376 1.00 10.00 C ATOM 357 O3' DT B 6 -7.557 -6.009 -11.843 1.00 10.00 O ATOM 358 C2' DT B 6 -6.573 -3.792 -11.616 1.00 10.00 C ATOM 359 C1' DT B 6 -6.176 -3.150 -10.279 1.00 10.00 C ATOM 360 N1 DT B 6 -5.183 -2.057 -10.460 1.00 10.00 N ATOM 361 C2 DT B 6 -5.551 -0.751 -10.135 1.00 10.00 C ATOM 362 O2 DT B 6 -6.655 -0.450 -9.687 1.00 10.00 O ATOM 363 N3 DT B 6 -4.590 0.226 -10.345 1.00 10.00 N ATOM 364 C4 DT B 6 -3.312 0.025 -10.842 1.00 10.00 C ATOM 365 O4 DT B 6 -2.550 0.981 -10.968 1.00 10.00 O ATOM 366 C5 DT B 6 -3.006 -1.359 -11.158 1.00 10.00 C ATOM 367 C7 DT B 6 -1.647 -1.713 -11.729 1.00 10.00 C ATOM 368 C6 DT B 6 -3.932 -2.333 -10.961 1.00 10.00 C ATOM 0 H5' DT B 6 -5.385 -6.530 -8.272 1.00 10.00 H new ATOM 0 H5'' DT B 6 -6.141 -7.508 -9.514 1.00 10.00 H new ATOM 0 H4' DT B 6 -7.278 -5.496 -9.401 1.00 10.00 H new ATOM 0 H3' DT B 6 -5.589 -5.738 -11.909 1.00 10.00 H new ATOM 0 H2' DT B 6 -5.925 -3.456 -12.425 1.00 10.00 H new ATOM 0 H2'' DT B 6 -7.593 -3.529 -11.895 1.00 10.00 H new ATOM 0 HO3' DT B 6 -7.614 -5.929 -12.818 1.00 10.00 H new ATOM 0 H1' DT B 6 -7.044 -2.693 -9.804 1.00 10.00 H new ATOM 0 H3 DT B 6 -4.848 1.185 -10.111 1.00 10.00 H new ATOM 0 H71 DT B 6 -1.376 -2.723 -11.423 1.00 10.00 H new ATOM 0 H72 DT B 6 -1.685 -1.661 -12.817 1.00 10.00 H new ATOM 0 H73 DT B 6 -0.902 -1.009 -11.358 1.00 10.00 H new ATOM 0 H6 DT B 6 -3.679 -3.354 -11.205 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 0.204 3.387 -4.548 1.00 10.00 O HETATM 384 C11 NF A 7 -0.887 2.948 -4.303 1.00 10.00 C HETATM 385 N21 NF A 7 -1.909 3.782 -3.838 1.00 10.00 N HETATM 386 C12 NF A 7 -1.648 5.247 -3.787 1.00 10.00 C HETATM 387 C31 NF A 7 -3.173 3.324 -3.454 1.00 10.00 C HETATM 388 O31 NF A 7 -3.993 4.087 -3.023 1.00 10.00 O HETATM 389 CX3 NF A 7 -3.461 1.858 -3.591 1.00 10.00 C HETATM 390 CXD NF A 7 -2.463 0.984 -4.092 1.00 10.00 C HETATM 391 CXT NF A 7 -1.191 1.492 -4.461 1.00 10.00 C HETATM 392 C91 NF A 7 -0.228 0.650 -4.967 1.00 10.00 C HETATM 393 C81 NF A 7 -0.483 -0.720 -5.103 1.00 10.00 C HETATM 394 C71 NF A 7 -1.715 -1.263 -4.714 1.00 10.00 C HETATM 395 CXN NF A 7 -2.737 -0.407 -4.218 1.00 10.00 C HETATM 396 C61 NF A 7 -4.022 -0.893 -3.843 1.00 10.00 C HETATM 397 C51 NF A 7 -4.989 -0.006 -3.353 1.00 10.00 C HETATM 398 C41 NF A 7 -4.693 1.360 -3.228 1.00 10.00 C HETATM 399 C22 NF A 7 -1.343 5.782 -2.386 1.00 10.00 C HETATM 400 N32 NF A 7 -0.363 4.934 -1.684 1.00 10.00 N HETATM 401 C42 NF A 7 0.175 5.521 -0.441 1.00 10.00 C HETATM 402 C52 NF A 7 0.730 4.433 0.480 1.00 10.00 C HETATM 403 C62 NF A 7 1.594 5.011 1.602 1.00 10.00 C HETATM 404 N72 NF A 7 1.875 3.992 2.631 1.00 10.00 N HETATM 405 C82 NF A 7 3.088 4.256 3.423 1.00 10.00 C HETATM 406 O13 NF A 7 0.774 2.093 5.074 1.00 10.00 O HETATM 407 C13 NF A 7 1.669 1.383 4.702 1.00 10.00 C HETATM 408 N23 NF A 7 2.926 1.916 4.395 1.00 10.00 N HETATM 409 C92 NF A 7 3.164 3.362 4.663 1.00 10.00 C HETATM 410 C33 NF A 7 3.989 1.163 3.889 1.00 10.00 C HETATM 411 O33 NF A 7 5.031 1.689 3.610 1.00 10.00 O HETATM 412 CX5 NF A 7 3.779 -0.309 3.701 1.00 10.00 C HETATM 413 CXF NF A 7 2.528 -0.895 4.027 1.00 10.00 C HETATM 414 CXV NF A 7 1.473 -0.091 4.532 1.00 10.00 C HETATM 415 C93 NF A 7 0.265 -0.663 4.867 1.00 10.00 C HETATM 416 C83 NF A 7 0.054 -2.039 4.696 1.00 10.00 C HETATM 417 C73 NF A 7 1.066 -2.855 4.172 1.00 10.00 C HETATM 418 CXP NF A 7 2.331 -2.292 3.842 1.00 10.00 C HETATM 419 C63 NF A 7 3.406 -3.078 3.335 1.00 10.00 C HETATM 420 C53 NF A 7 4.630 -2.471 3.023 1.00 10.00 C HETATM 421 C43 NF A 7 4.800 -1.091 3.208 1.00 10.00 C HETATM 0 H922 NF A 7 4.147 3.477 5.119 1.00 10.00 H new HETATM 0 H912 NF A 7 2.432 3.709 5.392 1.00 10.00 H new HETATM 0 H822 NF A 7 3.969 4.093 2.803 1.00 10.00 H new HETATM 0 H812 NF A 7 3.102 5.302 3.728 1.00 10.00 H new HETATM 0 H722 NF A 7 1.076 3.931 3.262 1.00 10.00 H new HETATM 0 H712 NF A 7 1.968 3.083 2.178 1.00 10.00 H new HETATM 0 H622 NF A 7 2.531 5.384 1.189 1.00 10.00 H new HETATM 0 H612 NF A 7 1.085 5.861 2.056 1.00 10.00 H new HETATM 0 H522 NF A 7 -0.097 3.870 0.914 1.00 10.00 H new HETATM 0 H512 NF A 7 1.322 3.730 -0.106 1.00 10.00 H new HETATM 0 H422 NF A 7 0.962 6.235 -0.682 1.00 10.00 H new HETATM 0 H412 NF A 7 -0.610 6.074 0.075 1.00 10.00 H new HETATM 0 H322 NF A 7 -0.802 4.040 -1.462 1.00 10.00 H new HETATM 0 H312 NF A 7 0.413 4.736 -2.316 1.00 10.00 H new HETATM 0 H222 NF A 7 -0.958 6.799 -2.460 1.00 10.00 H new HETATM 0 H212 NF A 7 -2.264 5.831 -1.806 1.00 10.00 H new HETATM 0 H122 NF A 7 -0.808 5.478 -4.443 1.00 10.00 H new HETATM 0 H112 NF A 7 -2.516 5.773 -4.184 1.00 10.00 H new HETATM 0 H93 NF A 7 -0.534 -0.040 5.269 1.00 10.00 H new HETATM 0 H91 NF A 7 0.740 1.052 -5.264 1.00 10.00 H new HETATM 0 H83 NF A 7 -0.905 -2.477 4.973 1.00 10.00 H new HETATM 0 H81 NF A 7 0.286 -1.372 -5.517 1.00 10.00 H new HETATM 0 H73 NF A 7 0.885 -3.919 4.018 1.00 10.00 H new HETATM 0 H71 NF A 7 -1.889 -2.336 -4.791 1.00 10.00 H new HETATM 0 H63 NF A 7 3.276 -4.151 3.190 1.00 10.00 H new HETATM 0 H61 NF A 7 -4.253 -1.954 -3.937 1.00 10.00 H new HETATM 0 H53 NF A 7 5.452 -3.073 2.636 1.00 10.00 H new HETATM 0 H51 NF A 7 -5.973 -0.378 -3.068 1.00 10.00 H new HETATM 0 H43 NF A 7 5.755 -0.630 2.958 1.00 10.00 H new HETATM 0 H41 NF A 7 -5.451 2.039 -2.837 1.00 10.00 H new