USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 240 hydrogens (58 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 -30:sc= 0.00405 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot -32:sc= 0.00224 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.110 -17.767 -4.253 1.00 0.00 O ATOM 2 C5' DC A 1 -9.827 -16.430 -3.893 1.00 0.00 C ATOM 3 C4' DC A 1 -9.449 -16.350 -2.410 1.00 0.00 C ATOM 4 O4' DC A 1 -8.250 -17.088 -2.235 1.00 0.00 O ATOM 5 C3' DC A 1 -9.177 -14.900 -1.984 1.00 0.00 C ATOM 6 O3' DC A 1 -9.964 -14.616 -0.844 1.00 0.00 O ATOM 7 C2' DC A 1 -7.682 -14.909 -1.684 1.00 0.00 C ATOM 8 C1' DC A 1 -7.381 -16.365 -1.384 1.00 0.00 C ATOM 9 N1 DC A 1 -5.966 -16.627 -1.757 1.00 0.00 N ATOM 10 C2 DC A 1 -4.979 -16.368 -0.804 1.00 0.00 C ATOM 11 O2 DC A 1 -5.272 -16.094 0.358 1.00 0.00 O ATOM 12 N3 DC A 1 -3.673 -16.422 -1.191 1.00 0.00 N ATOM 13 C4 DC A 1 -3.331 -16.691 -2.459 1.00 0.00 C ATOM 14 N4 DC A 1 -2.036 -16.674 -2.790 1.00 0.00 N ATOM 15 C5 DC A 1 -4.328 -16.914 -3.467 1.00 0.00 C ATOM 16 C6 DC A 1 -5.622 -16.861 -3.069 1.00 0.00 C ATOM 0 H5' DC A 1 -10.696 -15.801 -4.089 1.00 0.00 H new ATOM 0 H5'' DC A 1 -9.011 -16.046 -4.505 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.270 -16.744 -1.810 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.428 -14.138 -2.722 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.102 -14.547 -2.533 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.440 -14.268 -0.836 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.583 -18.375 -3.694 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.520 -16.637 -0.338 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.752 -16.876 -3.749 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.332 -16.459 -2.084 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.060 -17.114 -4.494 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.404 -17.006 -3.800 1.00 0.00 H new ATOM 29 P DG A 2 -10.013 -13.150 -0.171 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.167 -13.109 0.755 1.00 0.00 O ATOM 31 OP2 DG A 2 -9.892 -12.133 -1.239 1.00 0.00 O ATOM 32 O5' DG A 2 -8.664 -13.118 0.709 1.00 0.00 O ATOM 33 C5' DG A 2 -8.338 -14.166 1.603 1.00 0.00 C ATOM 34 C4' DG A 2 -7.532 -13.642 2.801 1.00 0.00 C ATOM 35 O4' DG A 2 -6.193 -13.488 2.361 1.00 0.00 O ATOM 36 C3' DG A 2 -8.014 -12.281 3.312 1.00 0.00 C ATOM 37 O3' DG A 2 -7.770 -12.226 4.711 1.00 0.00 O ATOM 38 C2' DG A 2 -7.097 -11.345 2.534 1.00 0.00 C ATOM 39 C1' DG A 2 -5.789 -12.142 2.533 1.00 0.00 C ATOM 40 N9 DG A 2 -4.894 -11.863 1.378 1.00 0.00 N ATOM 41 C8 DG A 2 -5.212 -11.751 0.043 1.00 0.00 C ATOM 42 N7 DG A 2 -4.189 -11.549 -0.737 1.00 0.00 N ATOM 43 C5 DG A 2 -3.104 -11.536 0.129 1.00 0.00 C ATOM 44 C6 DG A 2 -1.717 -11.338 -0.146 1.00 0.00 C ATOM 45 O6 DG A 2 -1.180 -11.154 -1.235 1.00 0.00 O ATOM 46 N1 DG A 2 -0.937 -11.369 1.004 1.00 0.00 N ATOM 47 C2 DG A 2 -1.428 -11.599 2.276 1.00 0.00 C ATOM 48 N2 DG A 2 -0.547 -11.566 3.281 1.00 0.00 N ATOM 49 N3 DG A 2 -2.729 -11.811 2.532 1.00 0.00 N ATOM 50 C4 DG A 2 -3.518 -11.757 1.423 1.00 0.00 C ATOM 0 H5' DG A 2 -7.762 -14.929 1.079 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.252 -14.644 1.957 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.646 -14.352 3.620 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.071 -12.052 3.176 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.464 -11.155 1.525 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.988 -10.376 3.022 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.243 -11.896 3.444 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.224 -11.824 -0.326 1.00 0.00 H new ATOM 0 H1 DG A 2 0.066 -11.211 0.903 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.859 -11.729 4.238 1.00 0.00 H new ATOM 0 H22 DG A 2 0.437 -11.377 3.090 1.00 0.00 H new ATOM 62 P DC A 3 -8.034 -10.899 5.599 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.230 -11.320 7.005 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.072 -10.086 4.928 1.00 0.00 O ATOM 65 O5' DC A 3 -6.629 -10.105 5.499 1.00 0.00 O ATOM 66 C5' DC A 3 -5.464 -10.598 6.134 1.00 0.00 C ATOM 67 C4' DC A 3 -4.238 -9.703 5.894 1.00 0.00 C ATOM 68 O4' DC A 3 -3.846 -9.945 4.561 1.00 0.00 O ATOM 69 C3' DC A 3 -4.463 -8.179 5.989 1.00 0.00 C ATOM 70 O3' DC A 3 -3.975 -7.621 7.196 1.00 0.00 O ATOM 71 C2' DC A 3 -3.701 -7.651 4.772 1.00 0.00 C ATOM 72 C1' DC A 3 -2.997 -8.882 4.219 1.00 0.00 C ATOM 73 N1 DC A 3 -2.907 -8.750 2.756 1.00 0.00 N ATOM 74 C2 DC A 3 -1.719 -8.304 2.185 1.00 0.00 C ATOM 75 O2 DC A 3 -0.687 -8.214 2.844 1.00 0.00 O ATOM 76 N3 DC A 3 -1.727 -7.966 0.865 1.00 0.00 N ATOM 77 C4 DC A 3 -2.859 -7.980 0.149 1.00 0.00 C ATOM 78 N4 DC A 3 -2.774 -7.778 -1.168 1.00 0.00 N ATOM 79 C5 DC A 3 -4.110 -8.305 0.774 1.00 0.00 C ATOM 80 C6 DC A 3 -4.067 -8.722 2.043 1.00 0.00 C ATOM 0 H5' DC A 3 -5.253 -11.603 5.769 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.646 -10.680 7.206 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.522 -9.954 6.677 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.520 -7.913 5.994 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.376 -7.213 4.037 1.00 0.00 H new ATOM 0 H2'' DC A 3 -2.988 -6.875 5.052 1.00 0.00 H new ATOM 0 H1' DC A 3 -1.988 -9.023 4.607 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.618 -7.783 -1.740 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.865 -7.619 -1.602 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.045 -8.216 0.242 1.00 0.00 H new ATOM 0 H6 DC A 3 -4.981 -9.047 2.518 1.00 0.00 H new ATOM 92 P DT A 4 -4.399 -6.133 7.689 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.106 -6.056 9.138 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.773 -5.852 7.214 1.00 0.00 O ATOM 95 O5' DT A 4 -3.410 -5.098 6.933 1.00 0.00 O ATOM 96 C5' DT A 4 -3.302 -3.754 7.381 1.00 0.00 C ATOM 97 C4' DT A 4 -2.227 -2.955 6.631 1.00 0.00 C ATOM 98 O4' DT A 4 -2.546 -2.883 5.260 1.00 0.00 O ATOM 99 C3' DT A 4 -2.162 -1.499 7.118 1.00 0.00 C ATOM 100 O3' DT A 4 -0.968 -1.303 7.859 1.00 0.00 O ATOM 101 C2' DT A 4 -2.196 -0.677 5.825 1.00 0.00 C ATOM 102 C1' DT A 4 -1.900 -1.730 4.764 1.00 0.00 C ATOM 103 N1 DT A 4 -2.471 -1.440 3.421 1.00 0.00 N ATOM 104 C2 DT A 4 -1.595 -1.349 2.343 1.00 0.00 C ATOM 105 O2 DT A 4 -0.376 -1.264 2.469 1.00 0.00 O ATOM 106 N3 DT A 4 -2.171 -1.359 1.082 1.00 0.00 N ATOM 107 C4 DT A 4 -3.527 -1.396 0.802 1.00 0.00 C ATOM 108 O4 DT A 4 -3.911 -1.417 -0.366 1.00 0.00 O ATOM 109 C5 DT A 4 -4.378 -1.407 1.978 1.00 0.00 C ATOM 110 C7 DT A 4 -5.885 -1.411 1.814 1.00 0.00 C ATOM 111 C6 DT A 4 -3.834 -1.428 3.222 1.00 0.00 C ATOM 0 H5' DT A 4 -3.072 -3.750 8.447 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.265 -3.258 7.260 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.281 -3.466 6.810 1.00 0.00 H new ATOM 0 H3' DT A 4 -2.975 -1.213 7.786 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.165 -0.204 5.669 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.450 0.118 5.829 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.823 -1.802 4.613 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.536 -1.337 0.284 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.341 -1.932 2.656 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.250 -0.385 1.782 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.149 -1.919 0.887 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.489 -1.436 4.081 1.00 0.00 H new ATOM 124 P DA A 5 -0.667 0.069 8.662 1.00 0.00 P ATOM 125 OP1 DA A 5 0.180 -0.261 9.828 1.00 0.00 O ATOM 126 OP2 DA A 5 -1.950 0.777 8.868 1.00 0.00 O ATOM 127 O5' DA A 5 0.211 0.942 7.627 1.00 0.00 O ATOM 128 C5' DA A 5 1.594 0.714 7.447 1.00 0.00 C ATOM 129 C4' DA A 5 2.307 1.687 6.522 1.00 0.00 C ATOM 130 O4' DA A 5 1.716 1.545 5.235 1.00 0.00 O ATOM 131 C3' DA A 5 2.050 3.083 7.067 1.00 0.00 C ATOM 132 O3' DA A 5 3.068 3.997 6.737 1.00 0.00 O ATOM 133 C2' DA A 5 0.827 3.415 6.251 1.00 0.00 C ATOM 134 C1' DA A 5 1.075 2.755 4.894 1.00 0.00 C ATOM 135 N9 DA A 5 -0.176 2.421 4.156 1.00 0.00 N ATOM 136 C8 DA A 5 -1.500 2.516 4.530 1.00 0.00 C ATOM 137 N7 DA A 5 -2.354 2.301 3.568 1.00 0.00 N ATOM 138 C5 DA A 5 -1.547 2.004 2.481 1.00 0.00 C ATOM 139 C6 DA A 5 -1.822 1.715 1.130 1.00 0.00 C ATOM 140 N6 DA A 5 -3.053 1.734 0.607 1.00 0.00 N ATOM 141 N1 DA A 5 -0.790 1.389 0.332 1.00 0.00 N ATOM 142 C2 DA A 5 0.441 1.379 0.831 1.00 0.00 C ATOM 143 N3 DA A 5 0.833 1.681 2.063 1.00 0.00 N ATOM 144 C4 DA A 5 -0.225 1.997 2.852 1.00 0.00 C ATOM 0 H5' DA A 5 1.730 -0.295 7.057 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.079 0.747 8.423 1.00 0.00 H new ATOM 0 H4' DA A 5 3.380 1.505 6.458 1.00 0.00 H new ATOM 0 H3' DA A 5 1.972 3.129 8.153 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.078 3.029 6.719 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.699 4.493 6.150 1.00 0.00 H new ATOM 0 H1' DA A 5 1.638 3.423 4.242 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.805 2.750 5.539 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.191 1.516 -0.380 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.853 1.967 1.195 1.00 0.00 H new ATOM 0 H2 DA A 5 1.224 1.088 0.146 1.00 0.00 H new ATOM 156 P DG A 6 4.485 4.121 7.522 1.00 0.00 P ATOM 157 OP1 DG A 6 5.318 2.948 7.176 1.00 0.00 O ATOM 158 OP2 DG A 6 4.216 4.457 8.938 1.00 0.00 O ATOM 159 O5' DG A 6 5.102 5.427 6.780 1.00 0.00 O ATOM 160 C5' DG A 6 4.506 5.830 5.565 1.00 0.00 C ATOM 161 C4' DG A 6 5.220 6.824 4.653 1.00 0.00 C ATOM 162 O4' DG A 6 4.216 7.174 3.724 1.00 0.00 O ATOM 163 C3' DG A 6 5.592 8.092 5.419 1.00 0.00 C ATOM 164 O3' DG A 6 6.510 8.966 4.783 1.00 0.00 O ATOM 165 C2' DG A 6 4.272 8.840 5.386 1.00 0.00 C ATOM 166 C1' DG A 6 3.869 8.522 3.947 1.00 0.00 C ATOM 167 N9 DG A 6 2.443 8.716 3.617 1.00 0.00 N ATOM 168 C8 DG A 6 1.378 9.058 4.412 1.00 0.00 C ATOM 169 N7 DG A 6 0.237 9.102 3.780 1.00 0.00 N ATOM 170 C5 DG A 6 0.561 8.735 2.479 1.00 0.00 C ATOM 171 C6 DG A 6 -0.280 8.472 1.355 1.00 0.00 C ATOM 172 O6 DG A 6 -1.502 8.577 1.281 1.00 0.00 O ATOM 173 N1 DG A 6 0.445 8.043 0.246 1.00 0.00 N ATOM 174 C2 DG A 6 1.809 7.831 0.228 1.00 0.00 C ATOM 175 N2 DG A 6 2.355 7.389 -0.909 1.00 0.00 N ATOM 176 N3 DG A 6 2.592 8.039 1.291 1.00 0.00 N ATOM 177 C4 DG A 6 1.910 8.493 2.376 1.00 0.00 C ATOM 0 H5' DG A 6 3.532 6.256 5.808 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.323 4.929 4.980 1.00 0.00 H new ATOM 0 H4' DG A 6 6.131 6.408 4.223 1.00 0.00 H new ATOM 0 H3' DG A 6 6.048 7.819 6.370 1.00 0.00 H new ATOM 0 H2' DG A 6 3.556 8.467 6.118 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.386 9.909 5.567 1.00 0.00 H new ATOM 0 H1' DG A 6 4.392 9.230 3.304 1.00 0.00 H new ATOM 0 H8 DG A 6 1.475 9.272 5.466 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.070 7.873 -0.618 1.00 0.00 H new ATOM 0 H21 DG A 6 3.360 7.221 -0.961 1.00 0.00 H new ATOM 0 H22 DG A 6 1.767 7.220 -1.725 1.00 0.00 H new ATOM 189 P DC A 7 8.014 8.591 4.344 1.00 0.00 P ATOM 190 OP1 DC A 7 8.238 7.132 4.440 1.00 0.00 O ATOM 191 OP2 DC A 7 8.935 9.528 5.026 1.00 0.00 O ATOM 192 O5' DC A 7 7.916 9.017 2.790 1.00 0.00 O ATOM 193 C5' DC A 7 7.468 8.124 1.788 1.00 0.00 C ATOM 194 C4' DC A 7 6.810 8.871 0.619 1.00 0.00 C ATOM 195 O4' DC A 7 5.479 9.206 0.998 1.00 0.00 O ATOM 196 C3' DC A 7 7.512 10.189 0.231 1.00 0.00 C ATOM 197 O3' DC A 7 7.645 10.211 -1.186 1.00 0.00 O ATOM 198 C2' DC A 7 6.491 11.209 0.751 1.00 0.00 C ATOM 199 C1' DC A 7 5.204 10.464 0.425 1.00 0.00 C ATOM 200 N1 DC A 7 3.916 11.054 0.921 1.00 0.00 N ATOM 201 C2 DC A 7 2.788 10.937 0.092 1.00 0.00 C ATOM 202 O2 DC A 7 2.864 10.498 -1.055 1.00 0.00 O ATOM 203 N3 DC A 7 1.575 11.321 0.573 1.00 0.00 N ATOM 204 C4 DC A 7 1.447 11.864 1.788 1.00 0.00 C ATOM 205 N4 DC A 7 0.223 12.202 2.206 1.00 0.00 N ATOM 206 C5 DC A 7 2.597 12.099 2.616 1.00 0.00 C ATOM 207 C6 DC A 7 3.798 11.684 2.144 1.00 0.00 C ATOM 0 H5' DC A 7 6.755 7.421 2.219 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.310 7.538 1.419 1.00 0.00 H new ATOM 0 H4' DC A 7 6.867 8.203 -0.241 1.00 0.00 H new ATOM 0 H3' DC A 7 8.514 10.359 0.626 1.00 0.00 H new ATOM 0 H2' DC A 7 6.602 11.407 1.817 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.560 12.169 0.240 1.00 0.00 H new ATOM 0 H1' DC A 7 4.999 10.475 -0.645 1.00 0.00 H new ATOM 0 H41 DC A 7 0.096 12.618 3.129 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.584 12.044 1.602 1.00 0.00 H new ATOM 0 H5 DC A 7 2.508 12.587 3.576 1.00 0.00 H new ATOM 0 H6 DC A 7 4.684 11.850 2.739 1.00 0.00 H new ATOM 219 P DG A 8 8.439 11.375 -1.989 1.00 0.00 P ATOM 220 OP1 DG A 8 9.645 10.771 -2.598 1.00 0.00 O ATOM 221 OP2 DG A 8 8.577 12.555 -1.108 1.00 0.00 O ATOM 222 O5' DG A 8 7.409 11.756 -3.180 1.00 0.00 O ATOM 223 C5' DG A 8 6.029 11.920 -2.918 1.00 0.00 C ATOM 224 C4' DG A 8 5.412 13.141 -3.556 1.00 0.00 C ATOM 225 O4' DG A 8 4.111 13.042 -3.038 1.00 0.00 O ATOM 226 C3' DG A 8 5.923 14.484 -3.050 1.00 0.00 C ATOM 227 O3' DG A 8 6.920 15.019 -3.892 1.00 0.00 O ATOM 228 C2' DG A 8 4.643 15.321 -3.106 1.00 0.00 C ATOM 229 C1' DG A 8 3.517 14.283 -3.226 1.00 0.00 C ATOM 230 N9 DG A 8 2.533 14.395 -2.132 1.00 0.00 N ATOM 231 C8 DG A 8 2.777 14.328 -0.784 1.00 0.00 C ATOM 232 N7 DG A 8 1.711 14.418 -0.042 1.00 0.00 N ATOM 233 C5 DG A 8 0.678 14.542 -0.964 1.00 0.00 C ATOM 234 C6 DG A 8 -0.727 14.663 -0.751 1.00 0.00 C ATOM 235 O6 DG A 8 -1.334 14.638 0.316 1.00 0.00 O ATOM 236 N1 DG A 8 -1.431 14.826 -1.941 1.00 0.00 N ATOM 237 C2 DG A 8 -0.856 14.826 -3.199 1.00 0.00 C ATOM 238 N2 DG A 8 -1.676 14.975 -4.244 1.00 0.00 N ATOM 239 N3 DG A 8 0.465 14.685 -3.403 1.00 0.00 N ATOM 240 C4 DG A 8 1.174 14.553 -2.248 1.00 0.00 C ATOM 0 H5' DG A 8 5.881 11.975 -1.840 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.498 11.035 -3.268 1.00 0.00 H new ATOM 0 H4' DG A 8 5.587 13.139 -4.632 1.00 0.00 H new ATOM 0 H3' DG A 8 6.395 14.439 -2.069 1.00 0.00 H new ATOM 0 H2' DG A 8 4.527 15.932 -2.211 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.649 16.001 -3.957 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.221 15.881 -3.536 1.00 0.00 H new ATOM 0 H1' DG A 8 3.020 14.426 -4.186 1.00 0.00 H new ATOM 0 H8 DG A 8 3.769 14.211 -0.373 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.441 14.954 -1.881 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.299 14.981 -5.192 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.679 15.082 -4.094 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -10.749 18.013 -2.091 1.00 0.00 O ATOM 255 C5' DC B 1 -10.363 16.662 -2.241 1.00 0.00 C ATOM 256 C4' DC B 1 -9.254 16.538 -3.293 1.00 0.00 C ATOM 257 O4' DC B 1 -8.118 17.232 -2.802 1.00 0.00 O ATOM 258 C3' DC B 1 -8.852 15.071 -3.507 1.00 0.00 C ATOM 259 O3' DC B 1 -8.917 14.795 -4.893 1.00 0.00 O ATOM 260 C2' DC B 1 -7.430 15.024 -2.960 1.00 0.00 C ATOM 261 C1' DC B 1 -6.958 16.461 -3.053 1.00 0.00 C ATOM 262 N1 DC B 1 -5.956 16.693 -1.980 1.00 0.00 N ATOM 263 C2 DC B 1 -4.619 16.399 -2.256 1.00 0.00 C ATOM 264 O2 DC B 1 -4.255 16.094 -3.390 1.00 0.00 O ATOM 265 N3 DC B 1 -3.717 16.455 -1.235 1.00 0.00 N ATOM 266 C4 DC B 1 -4.097 16.757 0.015 1.00 0.00 C ATOM 267 N4 DC B 1 -3.176 16.756 0.983 1.00 0.00 N ATOM 268 C5 DC B 1 -5.475 17.005 0.335 1.00 0.00 C ATOM 269 C6 DC B 1 -6.359 16.953 -0.690 1.00 0.00 C ATOM 0 H5' DC B 1 -11.223 16.062 -2.537 1.00 0.00 H new ATOM 0 H5'' DC B 1 -10.014 16.269 -1.286 1.00 0.00 H new ATOM 0 H4' DC B 1 -9.613 16.946 -4.238 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.486 14.331 -3.018 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.409 14.662 -1.932 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.798 14.357 -3.546 1.00 0.00 H new ATOM 0 HO5' DC B 1 -9.976 18.594 -2.252 1.00 0.00 H new ATOM 0 H1' DC B 1 -6.502 16.708 -4.012 1.00 0.00 H new ATOM 0 H41 DC B 1 -3.443 16.983 1.941 1.00 0.00 H new ATOM 0 H42 DC B 1 -2.206 16.528 0.764 1.00 0.00 H new ATOM 0 H5 DC B 1 -5.791 17.223 1.344 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.407 17.120 -0.490 1.00 0.00 H new ATOM 282 P DG B 2 -8.658 13.320 -5.493 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.131 13.305 -6.895 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.177 12.320 -4.533 1.00 0.00 O ATOM 285 O5' DG B 2 -7.051 13.218 -5.506 1.00 0.00 O ATOM 286 C5' DG B 2 -6.249 14.231 -6.082 1.00 0.00 C ATOM 287 C4' DG B 2 -4.947 13.650 -6.652 1.00 0.00 C ATOM 288 O4' DG B 2 -4.069 13.456 -5.553 1.00 0.00 O ATOM 289 C3' DG B 2 -5.134 12.294 -7.339 1.00 0.00 C ATOM 290 O3' DG B 2 -4.170 12.188 -8.380 1.00 0.00 O ATOM 291 C2' DG B 2 -4.833 11.348 -6.183 1.00 0.00 C ATOM 292 C1' DG B 2 -3.696 12.092 -5.477 1.00 0.00 C ATOM 293 N9 DG B 2 -3.568 11.812 -4.021 1.00 0.00 N ATOM 294 C8 DG B 2 -4.555 11.759 -3.061 1.00 0.00 C ATOM 295 N7 DG B 2 -4.112 11.596 -1.846 1.00 0.00 N ATOM 296 C5 DG B 2 -2.732 11.543 -1.994 1.00 0.00 C ATOM 297 C6 DG B 2 -1.709 11.394 -1.006 1.00 0.00 C ATOM 298 O6 DG B 2 -1.836 11.304 0.212 1.00 0.00 O ATOM 299 N1 DG B 2 -0.435 11.352 -1.564 1.00 0.00 N ATOM 300 C2 DG B 2 -0.167 11.495 -2.911 1.00 0.00 C ATOM 301 N2 DG B 2 1.114 11.418 -3.287 1.00 0.00 N ATOM 302 N3 DG B 2 -1.126 11.685 -3.833 1.00 0.00 N ATOM 303 C4 DG B 2 -2.387 11.687 -3.318 1.00 0.00 C ATOM 0 H5' DG B 2 -6.016 14.985 -5.331 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.805 14.732 -6.875 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.568 14.344 -7.403 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.104 12.109 -7.801 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.696 11.204 -5.533 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.526 10.361 -6.529 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.759 11.797 -5.949 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.606 11.845 -3.295 1.00 0.00 H new ATOM 0 H1 DG B 2 0.355 11.206 -0.935 1.00 0.00 H new ATOM 0 H21 DG B 2 1.364 11.517 -4.271 1.00 0.00 H new ATOM 0 H22 DG B 2 1.842 11.260 -2.590 1.00 0.00 H new ATOM 315 P DC B 3 -3.961 10.843 -9.258 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.358 11.231 -10.552 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.222 10.070 -9.240 1.00 0.00 O ATOM 318 O5' DC B 3 -2.854 10.019 -8.413 1.00 0.00 O ATOM 319 C5' DC B 3 -1.521 10.485 -8.311 1.00 0.00 C ATOM 320 C4' DC B 3 -0.662 9.602 -7.397 1.00 0.00 C ATOM 321 O4' DC B 3 -1.159 9.810 -6.096 1.00 0.00 O ATOM 322 C3' DC B 3 -0.729 8.078 -7.633 1.00 0.00 C ATOM 323 O3' DC B 3 0.444 7.585 -8.256 1.00 0.00 O ATOM 324 C2' DC B 3 -0.903 7.524 -6.217 1.00 0.00 C ATOM 325 C1' DC B 3 -0.663 8.742 -5.337 1.00 0.00 C ATOM 326 N1 DC B 3 -1.429 8.611 -4.088 1.00 0.00 N ATOM 327 C2 DC B 3 -0.774 8.240 -2.918 1.00 0.00 C ATOM 328 O2 DC B 3 0.449 8.146 -2.870 1.00 0.00 O ATOM 329 N3 DC B 3 -1.530 7.982 -1.813 1.00 0.00 N ATOM 330 C4 DC B 3 -2.867 7.999 -1.863 1.00 0.00 C ATOM 331 N4 DC B 3 -3.548 7.869 -0.721 1.00 0.00 N ATOM 332 C5 DC B 3 -3.540 8.237 -3.107 1.00 0.00 C ATOM 333 C6 DC B 3 -2.788 8.573 -4.157 1.00 0.00 C ATOM 0 H5' DC B 3 -1.524 11.505 -7.928 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.074 10.519 -9.304 1.00 0.00 H new ATOM 0 H4' DC B 3 0.373 9.888 -7.587 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.532 7.784 -8.309 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.899 7.108 -6.067 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.190 6.727 -6.006 1.00 0.00 H new ATOM 0 H1' DC B 3 0.384 8.871 -5.062 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.568 7.879 -0.731 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.048 7.760 0.161 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.613 8.148 -3.191 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.272 8.822 -5.090 1.00 0.00 H new ATOM 345 P DT B 4 0.491 6.133 -8.978 1.00 0.00 P ATOM 346 OP1 DT B 4 1.432 6.237 -10.115 1.00 0.00 O ATOM 347 OP2 DT B 4 -0.898 5.684 -9.226 1.00 0.00 O ATOM 348 O5' DT B 4 1.138 5.110 -7.908 1.00 0.00 O ATOM 349 C5' DT B 4 1.391 3.767 -8.287 1.00 0.00 C ATOM 350 C4' DT B 4 1.975 2.942 -7.134 1.00 0.00 C ATOM 351 O4' DT B 4 1.014 2.879 -6.104 1.00 0.00 O ATOM 352 C3' DT B 4 2.208 1.485 -7.558 1.00 0.00 C ATOM 353 O3' DT B 4 3.576 1.279 -7.864 1.00 0.00 O ATOM 354 C2' DT B 4 1.721 0.673 -6.352 1.00 0.00 C ATOM 355 C1' DT B 4 1.307 1.734 -5.336 1.00 0.00 C ATOM 356 N1 DT B 4 0.073 1.393 -4.578 1.00 0.00 N ATOM 357 C2 DT B 4 0.140 1.370 -3.186 1.00 0.00 C ATOM 358 O2 DT B 4 1.194 1.427 -2.558 1.00 0.00 O ATOM 359 N3 DT B 4 -1.071 1.279 -2.520 1.00 0.00 N ATOM 360 C4 DT B 4 -2.327 1.200 -3.097 1.00 0.00 C ATOM 361 O4 DT B 4 -3.328 1.174 -2.383 1.00 0.00 O ATOM 362 C5 DT B 4 -2.309 1.156 -4.547 1.00 0.00 C ATOM 363 C7 DT B 4 -3.615 1.028 -5.305 1.00 0.00 C ATOM 364 C6 DT B 4 -1.135 1.251 -5.225 1.00 0.00 C ATOM 0 H5' DT B 4 2.083 3.753 -9.129 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.464 3.306 -8.628 1.00 0.00 H new ATOM 0 H4' DT B 4 2.911 3.410 -6.828 1.00 0.00 H new ATOM 0 H3' DT B 4 1.677 1.192 -8.464 1.00 0.00 H new ATOM 0 H2' DT B 4 0.885 0.027 -6.617 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.509 0.030 -5.959 1.00 0.00 H new ATOM 0 H1' DT B 4 2.106 1.851 -4.604 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.034 1.269 -1.501 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.524 1.521 -6.273 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.847 -0.026 -5.455 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.415 1.498 -4.733 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.149 1.214 -6.304 1.00 0.00 H new ATOM 377 P DA B 5 4.138 -0.137 -8.412 1.00 0.00 P ATOM 378 OP1 DA B 5 5.409 0.118 -9.126 1.00 0.00 O ATOM 379 OP2 DA B 5 3.036 -0.839 -9.106 1.00 0.00 O ATOM 380 O5' DA B 5 4.474 -0.952 -7.063 1.00 0.00 O ATOM 381 C5' DA B 5 5.537 -0.568 -6.214 1.00 0.00 C ATOM 382 C4' DA B 5 5.632 -1.320 -4.896 1.00 0.00 C ATOM 383 O4' DA B 5 4.390 -1.134 -4.228 1.00 0.00 O ATOM 384 C3' DA B 5 5.825 -2.796 -5.215 1.00 0.00 C ATOM 385 O3' DA B 5 6.484 -3.498 -4.179 1.00 0.00 O ATOM 386 C2' DA B 5 4.375 -3.209 -5.216 1.00 0.00 C ATOM 387 C1' DA B 5 3.796 -2.401 -4.058 1.00 0.00 C ATOM 388 N9 DA B 5 2.320 -2.257 -4.087 1.00 0.00 N ATOM 389 C8 DA B 5 1.429 -2.432 -5.121 1.00 0.00 C ATOM 390 N7 DA B 5 0.174 -2.334 -4.775 1.00 0.00 N ATOM 391 C5 DA B 5 0.232 -2.057 -3.417 1.00 0.00 C ATOM 392 C6 DA B 5 -0.759 -1.853 -2.436 1.00 0.00 C ATOM 393 N6 DA B 5 -2.070 -1.933 -2.689 1.00 0.00 N ATOM 394 N1 DA B 5 -0.365 -1.546 -1.187 1.00 0.00 N ATOM 395 C2 DA B 5 0.937 -1.471 -0.920 1.00 0.00 C ATOM 396 N3 DA B 5 1.963 -1.675 -1.739 1.00 0.00 N ATOM 397 C4 DA B 5 1.536 -1.968 -2.997 1.00 0.00 C ATOM 0 H5' DA B 5 5.439 0.496 -5.998 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.475 -0.699 -6.754 1.00 0.00 H new ATOM 0 H4' DA B 5 6.457 -0.969 -4.277 1.00 0.00 H new ATOM 0 H3' DA B 5 6.417 -2.986 -6.110 1.00 0.00 H new ATOM 0 H2' DA B 5 3.886 -2.970 -6.161 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.259 -4.281 -5.059 1.00 0.00 H new ATOM 0 H1' DA B 5 4.001 -2.894 -3.108 1.00 0.00 H new ATOM 0 H8 DA B 5 1.742 -2.634 -6.135 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.744 -1.776 -1.940 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.395 -2.151 -3.631 1.00 0.00 H new ATOM 0 H2 DA B 5 1.193 -1.210 0.096 1.00 0.00 H new ATOM 409 P DG B 6 8.077 -3.406 -3.892 1.00 0.00 P ATOM 410 OP1 DG B 6 8.354 -2.137 -3.183 1.00 0.00 O ATOM 411 OP2 DG B 6 8.802 -3.738 -5.138 1.00 0.00 O ATOM 412 O5' DG B 6 8.270 -4.624 -2.841 1.00 0.00 O ATOM 413 C5' DG B 6 7.176 -5.008 -2.034 1.00 0.00 C ATOM 414 C4' DG B 6 7.421 -6.008 -0.908 1.00 0.00 C ATOM 415 O4' DG B 6 6.137 -6.508 -0.563 1.00 0.00 O ATOM 416 C3' DG B 6 8.280 -7.186 -1.327 1.00 0.00 C ATOM 417 O3' DG B 6 9.050 -7.501 -0.170 1.00 0.00 O ATOM 418 C2' DG B 6 7.207 -8.152 -1.842 1.00 0.00 C ATOM 419 C1' DG B 6 6.040 -7.881 -0.894 1.00 0.00 C ATOM 420 N9 DG B 6 4.669 -8.156 -1.416 1.00 0.00 N ATOM 421 C8 DG B 6 4.211 -8.453 -2.684 1.00 0.00 C ATOM 422 N7 DG B 6 2.921 -8.611 -2.773 1.00 0.00 N ATOM 423 C5 DG B 6 2.467 -8.369 -1.486 1.00 0.00 C ATOM 424 C6 DG B 6 1.132 -8.273 -0.990 1.00 0.00 C ATOM 425 O6 DG B 6 0.080 -8.448 -1.600 1.00 0.00 O ATOM 426 N1 DG B 6 1.097 -7.931 0.358 1.00 0.00 N ATOM 427 C2 DG B 6 2.210 -7.672 1.132 1.00 0.00 C ATOM 428 N2 DG B 6 2.011 -7.350 2.413 1.00 0.00 N ATOM 429 N3 DG B 6 3.459 -7.739 0.656 1.00 0.00 N ATOM 430 C4 DG B 6 3.525 -8.087 -0.654 1.00 0.00 C ATOM 0 H5' DG B 6 6.411 -5.426 -2.689 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.757 -4.105 -1.591 1.00 0.00 H new ATOM 0 H4' DG B 6 7.947 -5.509 -0.094 1.00 0.00 H new ATOM 0 H3' DG B 6 9.035 -7.108 -2.109 1.00 0.00 H new ATOM 0 H2' DG B 6 6.943 -7.950 -2.880 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.537 -9.190 -1.794 1.00 0.00 H new ATOM 0 H1' DG B 6 6.138 -8.572 -0.057 1.00 0.00 H new ATOM 0 H8 DG B 6 4.870 -8.547 -3.535 1.00 0.00 H new ATOM 0 H1 DG B 6 0.183 -7.867 0.807 1.00 0.00 H new ATOM 0 H21 DG B 6 2.807 -7.151 3.019 1.00 0.00 H new ATOM 0 H22 DG B 6 1.063 -7.303 2.786 1.00 0.00 H new ATOM 442 P DC B 7 9.443 -8.973 0.369 1.00 0.00 P ATOM 443 OP1 DC B 7 10.632 -8.833 1.238 1.00 0.00 O ATOM 444 OP2 DC B 7 9.473 -9.929 -0.760 1.00 0.00 O ATOM 445 O5' DC B 7 8.177 -9.301 1.311 1.00 0.00 O ATOM 446 C5' DC B 7 7.834 -8.451 2.395 1.00 0.00 C ATOM 447 C4' DC B 7 6.611 -8.964 3.165 1.00 0.00 C ATOM 448 O4' DC B 7 5.533 -9.076 2.238 1.00 0.00 O ATOM 449 C3' DC B 7 6.857 -10.356 3.771 1.00 0.00 C ATOM 450 O3' DC B 7 6.212 -10.418 5.038 1.00 0.00 O ATOM 451 C2' DC B 7 6.166 -11.207 2.710 1.00 0.00 C ATOM 452 C1' DC B 7 4.945 -10.342 2.430 1.00 0.00 C ATOM 453 N1 DC B 7 4.101 -10.796 1.280 1.00 0.00 N ATOM 454 C2 DC B 7 2.708 -10.827 1.445 1.00 0.00 C ATOM 455 O2 DC B 7 2.172 -10.562 2.520 1.00 0.00 O ATOM 456 N3 DC B 7 1.927 -11.160 0.379 1.00 0.00 N ATOM 457 C4 DC B 7 2.463 -11.501 -0.799 1.00 0.00 C ATOM 458 N4 DC B 7 1.645 -11.791 -1.816 1.00 0.00 N ATOM 459 C5 DC B 7 3.886 -11.549 -0.975 1.00 0.00 C ATOM 460 C6 DC B 7 4.652 -11.198 0.082 1.00 0.00 C ATOM 0 H5' DC B 7 7.631 -7.448 2.019 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.682 -8.371 3.075 1.00 0.00 H new ATOM 0 H4' DC B 7 6.395 -8.269 3.977 1.00 0.00 H new ATOM 0 H3' DC B 7 7.889 -10.650 3.964 1.00 0.00 H new ATOM 0 H2' DC B 7 6.785 -11.353 1.825 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.899 -12.197 3.079 1.00 0.00 H new ATOM 0 H1' DC B 7 4.212 -10.372 3.236 1.00 0.00 H new ATOM 0 H41 DC B 7 2.032 -12.053 -2.723 1.00 0.00 H new ATOM 0 H42 DC B 7 0.634 -11.750 -1.685 1.00 0.00 H new ATOM 0 H5 DC B 7 4.327 -11.853 -1.913 1.00 0.00 H new ATOM 0 H6 DC B 7 5.727 -11.234 -0.015 1.00 0.00 H new ATOM 472 P DG B 8 6.330 -11.692 6.034 1.00 0.00 P ATOM 473 OP1 DG B 8 7.076 -11.263 7.237 1.00 0.00 O ATOM 474 OP2 DG B 8 6.802 -12.862 5.260 1.00 0.00 O ATOM 475 O5' DG B 8 4.792 -11.959 6.463 1.00 0.00 O ATOM 476 C5' DG B 8 3.775 -12.087 5.487 1.00 0.00 C ATOM 477 C4' DG B 8 2.959 -13.352 5.602 1.00 0.00 C ATOM 478 O4' DG B 8 2.109 -13.194 4.495 1.00 0.00 O ATOM 479 C3' DG B 8 3.701 -14.653 5.321 1.00 0.00 C ATOM 480 O3' DG B 8 4.151 -15.268 6.509 1.00 0.00 O ATOM 481 C2' DG B 8 2.599 -15.476 4.651 1.00 0.00 C ATOM 482 C1' DG B 8 1.536 -14.438 4.262 1.00 0.00 C ATOM 483 N9 DG B 8 1.246 -14.453 2.815 1.00 0.00 N ATOM 484 C8 DG B 8 2.135 -14.279 1.786 1.00 0.00 C ATOM 485 N7 DG B 8 1.597 -14.313 0.601 1.00 0.00 N ATOM 486 C5 DG B 8 0.246 -14.514 0.860 1.00 0.00 C ATOM 487 C6 DG B 8 -0.852 -14.625 -0.044 1.00 0.00 C ATOM 488 O6 DG B 8 -0.833 -14.544 -1.270 1.00 0.00 O ATOM 489 N1 DG B 8 -2.059 -14.853 0.611 1.00 0.00 N ATOM 490 C2 DG B 8 -2.203 -14.934 1.983 1.00 0.00 C ATOM 491 N2 DG B 8 -3.437 -15.132 2.455 1.00 0.00 N ATOM 492 N3 DG B 8 -1.172 -14.821 2.838 1.00 0.00 N ATOM 493 C4 DG B 8 0.020 -14.615 2.214 1.00 0.00 C ATOM 0 H5' DG B 8 4.231 -12.051 4.497 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.106 -11.229 5.561 1.00 0.00 H new ATOM 0 H4' DG B 8 2.553 -13.445 6.609 1.00 0.00 H new ATOM 0 H3' DG B 8 4.604 -14.531 4.723 1.00 0.00 H new ATOM 0 H2' DG B 8 2.975 -16.008 3.777 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.193 -16.226 5.330 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.621 -16.100 6.289 1.00 0.00 H new ATOM 0 H1' DG B 8 0.625 -14.648 4.823 1.00 0.00 H new ATOM 0 H8 DG B 8 3.192 -14.127 1.945 1.00 0.00 H new ATOM 0 H1 DG B 8 -2.895 -14.968 0.038 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.594 -15.199 3.461 1.00 0.00 H new ATOM 0 H22 DG B 8 -4.222 -15.216 1.810 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.956 -4.628 3.900 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.343 -4.821 3.901 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.002 -5.073 2.691 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.285 -5.056 1.485 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.054 -4.776 0.357 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.520 -4.730 -1.054 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.762 -4.731 0.779 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.653 -4.701 -0.182 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.556 -4.714 2.415 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.225 -4.715 2.694 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.882 -4.870 1.467 1.00 0.00 C HETATM 518 C12 TOT A 9 2.056 -4.853 -0.894 1.00 0.00 C HETATM 519 C13 TOT A 9 2.942 -5.313 -1.882 1.00 0.00 C HETATM 520 C14 TOT A 9 2.496 -5.567 -3.180 1.00 0.00 C HETATM 521 C15 TOT A 9 1.131 -5.487 -3.463 1.00 0.00 C HETATM 522 C16 TOT A 9 0.210 -5.258 -2.425 1.00 0.00 C HETATM 523 C17 TOT A 9 0.653 -4.898 -1.123 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.240 -4.574 -0.053 1.00 0.00 C HETATM 525 C19 TOT A 9 0.326 -4.103 1.152 1.00 0.00 C HETATM 526 C20 TOT A 9 1.709 -3.959 1.296 1.00 0.00 C HETATM 527 N21 TOT A 9 2.564 -4.347 0.297 1.00 0.00 N HETATM 528 C22 TOT A 9 4.006 -4.154 0.592 1.00 0.00 C HETATM 529 C23 TOT A 9 4.491 -4.698 1.951 1.00 0.00 C HETATM 530 C24 TOT A 9 5.972 -4.386 2.204 1.00 0.00 C HETATM 531 N25 TOT A 9 6.277 -3.203 3.061 1.00 0.00 N HETATM 532 C26 TOT A 9 5.641 -1.969 2.509 1.00 0.00 C HETATM 533 C27 TOT A 9 6.209 -0.655 3.076 1.00 0.00 C HETATM 534 C28 TOT A 9 7.760 -3.075 3.066 1.00 0.00 C HETATM 535 C29 TOT A 9 5.834 -3.448 4.461 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.060 4.337 -5.974 1.00 0.00 C HETATM 537 C32 TOT A 9 -3.193 4.523 -6.776 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.428 4.787 -6.170 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.521 4.841 -4.771 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.331 4.689 -2.565 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.529 4.665 -1.686 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.030 4.697 -2.168 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.683 4.830 -0.746 1.00 0.00 C HETATM 544 S39 TOT A 9 -0.926 4.553 -3.386 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.138 4.501 -4.572 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.377 4.702 -3.951 1.00 0.00 C HETATM 547 C42 TOT A 9 0.803 5.122 2.066 1.00 0.00 C HETATM 548 C43 TOT A 9 0.889 5.743 3.325 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.258 5.975 4.081 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.505 5.645 3.544 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.612 5.241 2.199 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.449 5.031 1.408 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.476 4.729 0.009 1.00 0.00 C HETATM 554 C49 TOT A 9 0.738 4.324 -0.596 1.00 0.00 C HETATM 555 C50 TOT A 9 1.922 4.232 0.153 1.00 0.00 C HETATM 556 N51 TOT A 9 1.944 4.606 1.467 1.00 0.00 N HETATM 557 C52 TOT A 9 3.237 4.432 2.158 1.00 0.00 C HETATM 558 C53 TOT A 9 3.975 3.098 1.928 1.00 0.00 C HETATM 559 C54 TOT A 9 4.996 2.976 3.063 1.00 0.00 C HETATM 560 N55 TOT A 9 5.997 1.878 2.956 1.00 0.00 N HETATM 561 C56 TOT A 9 5.325 0.561 2.736 1.00 0.00 C HETATM 562 C58 TOT A 9 6.746 1.885 4.241 1.00 0.00 C HETATM 563 C59 TOT A 9 6.951 2.173 1.854 1.00 0.00 C HETATM 0 H593 TOT A 9 6.406 2.257 0.914 1.00 0.00 H new HETATM 0 H592 TOT A 9 7.466 3.111 2.060 1.00 0.00 H new HETATM 0 H591 TOT A 9 7.681 1.367 1.779 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.232 2.851 4.373 1.00 0.00 H new HETATM 0 H582 TOT A 9 6.055 1.711 5.066 1.00 0.00 H new HETATM 0 H581 TOT A 9 7.500 1.098 4.227 1.00 0.00 H new HETATM 0 H562 TOT A 9 5.015 0.492 1.693 1.00 0.00 H new HETATM 0 H561 TOT A 9 4.420 0.520 3.342 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.535 3.920 3.137 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.450 2.847 3.998 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.278 2.260 1.939 1.00 0.00 H new HETATM 0 H531 TOT A 9 4.469 3.089 0.957 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.898 5.243 1.851 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.068 4.546 3.229 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.509 3.767 -1.068 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.527 5.546 -1.045 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.430 4.664 -2.299 1.00 0.00 H new HETATM 0 H293 TOT A 9 4.759 -3.629 4.476 1.00 0.00 H new HETATM 0 H292 TOT A 9 6.354 -4.319 4.860 1.00 0.00 H new HETATM 0 H291 TOT A 9 6.064 -2.576 5.073 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.202 -3.983 3.475 1.00 0.00 H new HETATM 0 H282 TOT A 9 8.116 -2.926 2.047 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.050 -2.222 3.680 1.00 0.00 H new HETATM 0 H272 TOT A 9 6.304 -0.740 4.158 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.212 -0.494 2.679 1.00 0.00 H new HETATM 0 H262 TOT A 9 5.762 -1.966 1.426 1.00 0.00 H new HETATM 0 H261 TOT A 9 4.570 -2.005 2.710 1.00 0.00 H new HETATM 0 H242 TOT A 9 6.430 -5.263 2.661 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.457 -4.240 1.239 1.00 0.00 H new HETATM 0 H232 TOT A 9 3.889 -4.265 2.750 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.338 -5.777 1.985 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.586 -4.632 -0.197 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.227 -3.087 0.549 1.00 0.00 H new HETATM 0 H8 TOT A 9 -1.981 -4.796 -1.217 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.192 -3.798 -1.515 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.102 -5.574 -1.603 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.608 -4.784 -1.080 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.832 3.859 -0.318 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.754 4.080 -1.658 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.598 5.088 1.759 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.397 5.700 4.168 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.184 6.408 5.078 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.862 6.045 3.713 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.819 -5.189 0.544 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.548 5.059 -0.124 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.495 4.993 -4.306 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.314 4.950 -6.783 1.00 0.00 H new HETATM 0 H32 TOT A 9 -3.115 4.463 -7.862 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.111 4.064 -6.434 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.072 -5.282 2.686 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.113 -3.533 2.214 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.904 -4.776 4.834 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.328 -3.847 1.986 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.857 -5.358 -2.621 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.779 -5.602 -4.488 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.206 -5.825 -3.965 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.991 -5.474 -1.632 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.438 -4.410 4.834 1.00 0.00 H new