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 180:sc= 0 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 180:sc= 0 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 -9.246 -18.458 -4.047 1.00 0.00 O ATOM 2 C5' DC A 1 -9.051 -17.087 -3.771 1.00 0.00 C ATOM 3 C4' DC A 1 -8.760 -16.879 -2.279 1.00 0.00 C ATOM 4 O4' DC A 1 -7.533 -17.530 -1.987 1.00 0.00 O ATOM 5 C3' DC A 1 -8.595 -15.389 -1.946 1.00 0.00 C ATOM 6 O3' DC A 1 -9.454 -15.079 -0.866 1.00 0.00 O ATOM 7 C2' DC A 1 -7.120 -15.286 -1.576 1.00 0.00 C ATOM 8 C1' DC A 1 -6.751 -16.695 -1.153 1.00 0.00 C ATOM 9 N1 DC A 1 -5.307 -16.898 -1.441 1.00 0.00 N ATOM 10 C2 DC A 1 -4.385 -16.509 -0.468 1.00 0.00 C ATOM 11 O2 DC A 1 -4.752 -16.169 0.656 1.00 0.00 O ATOM 12 N3 DC A 1 -3.061 -16.510 -0.790 1.00 0.00 N ATOM 13 C4 DC A 1 -2.641 -16.852 -2.017 1.00 0.00 C ATOM 14 N4 DC A 1 -1.335 -16.778 -2.291 1.00 0.00 N ATOM 15 C5 DC A 1 -3.574 -17.207 -3.049 1.00 0.00 C ATOM 16 C6 DC A 1 -4.886 -17.205 -2.716 1.00 0.00 C ATOM 0 H5' DC A 1 -9.938 -16.522 -4.057 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.223 -16.704 -4.367 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.590 -17.278 -1.696 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.852 -14.696 -2.747 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.518 -14.952 -2.421 1.00 0.00 H new ATOM 0 H2'' DC A 1 -6.960 -14.571 -0.769 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.432 -18.576 -5.002 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.926 -16.897 -0.096 1.00 0.00 H new ATOM 0 H41 DC A 1 -0.993 -17.033 -3.217 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.680 -16.466 -1.574 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.244 -17.464 -4.045 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.621 -17.450 -3.469 1.00 0.00 H new ATOM 29 P DG A 2 -9.625 -13.578 -0.302 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.824 -13.546 0.565 1.00 0.00 O ATOM 31 OP2 DG A 2 -9.512 -12.629 -1.433 1.00 0.00 O ATOM 32 O5' DG A 2 -8.326 -13.402 0.634 1.00 0.00 O ATOM 33 C5' DG A 2 -7.986 -14.360 1.619 1.00 0.00 C ATOM 34 C4' DG A 2 -7.298 -13.696 2.822 1.00 0.00 C ATOM 35 O4' DG A 2 -5.943 -13.482 2.458 1.00 0.00 O ATOM 36 C3' DG A 2 -7.897 -12.337 3.195 1.00 0.00 C ATOM 37 O3' DG A 2 -7.748 -12.159 4.596 1.00 0.00 O ATOM 38 C2' DG A 2 -6.995 -11.401 2.399 1.00 0.00 C ATOM 39 C1' DG A 2 -5.640 -12.102 2.539 1.00 0.00 C ATOM 40 N9 DG A 2 -4.695 -11.858 1.415 1.00 0.00 N ATOM 41 C8 DG A 2 -4.941 -11.871 0.059 1.00 0.00 C ATOM 42 N7 DG A 2 -3.886 -11.674 -0.679 1.00 0.00 N ATOM 43 C5 DG A 2 -2.855 -11.534 0.239 1.00 0.00 C ATOM 44 C6 DG A 2 -1.466 -11.285 0.021 1.00 0.00 C ATOM 45 O6 DG A 2 -0.882 -11.154 -1.051 1.00 0.00 O ATOM 46 N1 DG A 2 -0.748 -11.192 1.208 1.00 0.00 N ATOM 47 C2 DG A 2 -1.297 -11.348 2.466 1.00 0.00 C ATOM 48 N2 DG A 2 -0.473 -11.201 3.508 1.00 0.00 N ATOM 49 N3 DG A 2 -2.601 -11.601 2.672 1.00 0.00 N ATOM 50 C4 DG A 2 -3.331 -11.673 1.523 1.00 0.00 C ATOM 0 H5' DG A 2 -7.325 -15.111 1.187 1.00 0.00 H new ATOM 0 H5'' DG A 2 -8.885 -14.879 1.951 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.423 -14.352 3.683 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.956 -12.193 2.980 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.308 -11.315 1.358 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.981 -10.393 2.813 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.170 -11.744 3.455 1.00 0.00 H new ATOM 0 H8 DG A 2 -5.925 -12.031 -0.356 1.00 0.00 H new ATOM 0 H1 DG A 2 0.251 -10.995 1.146 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.829 -11.306 4.458 1.00 0.00 H new ATOM 0 H22 DG A 2 0.511 -10.984 3.353 1.00 0.00 H new ATOM 62 P DC A 3 -8.163 -10.793 5.359 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.413 -11.119 6.781 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.213 -10.115 4.568 1.00 0.00 O ATOM 65 O5' DC A 3 -6.815 -9.903 5.273 1.00 0.00 O ATOM 66 C5' DC A 3 -5.658 -10.254 6.011 1.00 0.00 C ATOM 67 C4' DC A 3 -4.487 -9.292 5.761 1.00 0.00 C ATOM 68 O4' DC A 3 -3.989 -9.630 4.485 1.00 0.00 O ATOM 69 C3' DC A 3 -4.821 -7.788 5.689 1.00 0.00 C ATOM 70 O3' DC A 3 -4.493 -7.079 6.872 1.00 0.00 O ATOM 71 C2' DC A 3 -3.992 -7.322 4.491 1.00 0.00 C ATOM 72 C1' DC A 3 -3.183 -8.550 4.095 1.00 0.00 C ATOM 73 N1 DC A 3 -3.010 -8.553 2.633 1.00 0.00 N ATOM 74 C2 DC A 3 -1.804 -8.118 2.091 1.00 0.00 C ATOM 75 O2 DC A 3 -0.816 -7.929 2.795 1.00 0.00 O ATOM 76 N3 DC A 3 -1.742 -7.905 0.746 1.00 0.00 N ATOM 77 C4 DC A 3 -2.829 -8.028 -0.029 1.00 0.00 C ATOM 78 N4 DC A 3 -2.674 -7.936 -1.352 1.00 0.00 N ATOM 79 C5 DC A 3 -4.103 -8.346 0.551 1.00 0.00 C ATOM 80 C6 DC A 3 -4.122 -8.641 1.853 1.00 0.00 C ATOM 0 H5' DC A 3 -5.355 -11.267 5.746 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.897 -10.261 7.074 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.813 -9.410 6.610 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.890 -7.604 5.583 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.629 -6.984 3.673 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.344 -6.487 4.756 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.193 -8.585 4.551 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.482 -8.025 -1.968 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.747 -7.776 -1.747 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.007 -8.347 -0.040 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.051 -8.960 2.302 1.00 0.00 H new ATOM 92 P DT A 4 -5.064 -5.584 7.167 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.889 -5.318 8.611 1.00 0.00 O ATOM 94 OP2 DT A 4 -6.414 -5.476 6.570 1.00 0.00 O ATOM 95 O5' DT A 4 -4.104 -4.561 6.359 1.00 0.00 O ATOM 96 C5' DT A 4 -2.725 -4.463 6.648 1.00 0.00 C ATOM 97 C4' DT A 4 -2.057 -3.256 5.976 1.00 0.00 C ATOM 98 O4' DT A 4 -2.475 -3.135 4.635 1.00 0.00 O ATOM 99 C3' DT A 4 -2.372 -1.899 6.618 1.00 0.00 C ATOM 100 O3' DT A 4 -1.360 -1.602 7.566 1.00 0.00 O ATOM 101 C2' DT A 4 -2.386 -0.941 5.417 1.00 0.00 C ATOM 102 C1' DT A 4 -2.042 -1.851 4.240 1.00 0.00 C ATOM 103 N1 DT A 4 -2.709 -1.506 2.955 1.00 0.00 N ATOM 104 C2 DT A 4 -1.901 -1.370 1.830 1.00 0.00 C ATOM 105 O2 DT A 4 -0.679 -1.270 1.888 1.00 0.00 O ATOM 106 N3 DT A 4 -2.551 -1.353 0.608 1.00 0.00 N ATOM 107 C4 DT A 4 -3.916 -1.417 0.402 1.00 0.00 C ATOM 108 O4 DT A 4 -4.356 -1.453 -0.746 1.00 0.00 O ATOM 109 C5 DT A 4 -4.697 -1.435 1.627 1.00 0.00 C ATOM 110 C7 DT A 4 -6.211 -1.424 1.543 1.00 0.00 C ATOM 111 C6 DT A 4 -4.082 -1.483 2.838 1.00 0.00 C ATOM 0 H5' DT A 4 -2.225 -5.376 6.323 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.589 -4.392 7.727 1.00 0.00 H new ATOM 0 H4' DT A 4 -0.993 -3.465 6.084 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.312 -1.846 7.167 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.360 -0.469 5.290 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.656 -0.139 5.533 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.975 -1.762 4.036 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.964 -1.287 -0.223 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.627 -1.951 2.402 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.568 -0.394 1.542 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.528 -1.919 0.625 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.686 -1.504 3.733 1.00 0.00 H new ATOM 124 P DA A 5 -1.278 -0.189 8.349 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.611 -0.419 9.649 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.614 0.446 8.311 1.00 0.00 O ATOM 127 O5' DA A 5 -0.285 0.682 7.420 1.00 0.00 O ATOM 128 C5' DA A 5 1.084 0.353 7.285 1.00 0.00 C ATOM 129 C4' DA A 5 1.899 1.260 6.374 1.00 0.00 C ATOM 130 O4' DA A 5 1.307 1.198 5.082 1.00 0.00 O ATOM 131 C3' DA A 5 1.793 2.672 6.929 1.00 0.00 C ATOM 132 O3' DA A 5 2.888 3.485 6.579 1.00 0.00 O ATOM 133 C2' DA A 5 0.604 3.128 6.125 1.00 0.00 C ATOM 134 C1' DA A 5 0.790 2.471 4.755 1.00 0.00 C ATOM 135 N9 DA A 5 -0.488 2.262 4.021 1.00 0.00 N ATOM 136 C8 DA A 5 -1.801 2.398 4.425 1.00 0.00 C ATOM 137 N7 DA A 5 -2.680 2.248 3.474 1.00 0.00 N ATOM 138 C5 DA A 5 -1.906 1.971 2.358 1.00 0.00 C ATOM 139 C6 DA A 5 -2.219 1.750 1.002 1.00 0.00 C ATOM 140 N6 DA A 5 -3.464 1.793 0.514 1.00 0.00 N ATOM 141 N1 DA A 5 -1.212 1.467 0.160 1.00 0.00 N ATOM 142 C2 DA A 5 0.032 1.419 0.625 1.00 0.00 C ATOM 143 N3 DA A 5 0.459 1.634 1.863 1.00 0.00 N ATOM 144 C4 DA A 5 -0.576 1.918 2.695 1.00 0.00 C ATOM 0 H5' DA A 5 1.157 -0.668 6.909 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.539 0.361 8.275 1.00 0.00 H new ATOM 0 H4' DA A 5 2.946 0.964 6.317 1.00 0.00 H new ATOM 0 H3' DA A 5 1.738 2.718 8.017 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.332 2.817 6.590 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.574 4.214 6.043 1.00 0.00 H new ATOM 0 H1' DA A 5 1.413 3.093 4.112 1.00 0.00 H new ATOM 0 H8 DA A 5 -2.078 2.612 5.447 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.629 1.624 -0.478 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.248 1.994 1.134 1.00 0.00 H new ATOM 0 H2 DA A 5 0.795 1.173 -0.099 1.00 0.00 H new ATOM 156 P DG A 6 4.351 3.433 7.281 1.00 0.00 P ATOM 157 OP1 DG A 6 5.025 2.178 6.878 1.00 0.00 O ATOM 158 OP2 DG A 6 4.209 3.782 8.710 1.00 0.00 O ATOM 159 O5' DG A 6 5.061 4.668 6.503 1.00 0.00 O ATOM 160 C5' DG A 6 4.460 5.120 5.307 1.00 0.00 C ATOM 161 C4' DG A 6 5.219 6.062 4.376 1.00 0.00 C ATOM 162 O4' DG A 6 4.209 6.523 3.501 1.00 0.00 O ATOM 163 C3' DG A 6 5.737 7.277 5.140 1.00 0.00 C ATOM 164 O3' DG A 6 6.695 8.082 4.469 1.00 0.00 O ATOM 165 C2' DG A 6 4.488 8.138 5.187 1.00 0.00 C ATOM 166 C1' DG A 6 3.997 7.892 3.761 1.00 0.00 C ATOM 167 N9 DG A 6 2.584 8.229 3.495 1.00 0.00 N ATOM 168 C8 DG A 6 1.583 8.639 4.341 1.00 0.00 C ATOM 169 N7 DG A 6 0.430 8.806 3.754 1.00 0.00 N ATOM 170 C5 DG A 6 0.675 8.465 2.427 1.00 0.00 C ATOM 171 C6 DG A 6 -0.220 8.333 1.323 1.00 0.00 C ATOM 172 O6 DG A 6 -1.433 8.530 1.296 1.00 0.00 O ATOM 173 N1 DG A 6 0.433 7.920 0.163 1.00 0.00 N ATOM 174 C2 DG A 6 1.774 7.598 0.086 1.00 0.00 C ATOM 175 N2 DG A 6 2.253 7.196 -1.094 1.00 0.00 N ATOM 176 N3 DG A 6 2.601 7.670 1.134 1.00 0.00 N ATOM 177 C4 DG A 6 1.993 8.115 2.265 1.00 0.00 C ATOM 0 H5' DG A 6 3.529 5.616 5.580 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.192 4.238 4.726 1.00 0.00 H new ATOM 0 H4' DG A 6 6.067 5.571 3.898 1.00 0.00 H new ATOM 0 H3' DG A 6 6.214 6.946 6.062 1.00 0.00 H new ATOM 0 H2' DG A 6 3.775 7.810 5.943 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.704 9.188 5.386 1.00 0.00 H new ATOM 0 H1' DG A 6 4.555 8.562 3.107 1.00 0.00 H new ATOM 0 H8 DG A 6 1.736 8.808 5.397 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.120 7.850 -0.691 1.00 0.00 H new ATOM 0 H21 DG A 6 3.239 6.950 -1.187 1.00 0.00 H new ATOM 0 H22 DG A 6 1.633 7.135 -1.902 1.00 0.00 H new ATOM 189 P DC A 7 8.137 7.591 3.944 1.00 0.00 P ATOM 190 OP1 DC A 7 8.235 6.114 3.985 1.00 0.00 O ATOM 191 OP2 DC A 7 9.170 8.418 4.605 1.00 0.00 O ATOM 192 O5' DC A 7 8.003 8.075 2.410 1.00 0.00 O ATOM 193 C5' DC A 7 7.430 7.257 1.407 1.00 0.00 C ATOM 194 C4' DC A 7 6.790 8.097 0.291 1.00 0.00 C ATOM 195 O4' DC A 7 5.514 8.542 0.749 1.00 0.00 O ATOM 196 C3' DC A 7 7.592 9.357 -0.097 1.00 0.00 C ATOM 197 O3' DC A 7 7.649 9.420 -1.519 1.00 0.00 O ATOM 198 C2' DC A 7 6.699 10.446 0.511 1.00 0.00 C ATOM 199 C1' DC A 7 5.333 9.838 0.228 1.00 0.00 C ATOM 200 N1 DC A 7 4.137 10.536 0.803 1.00 0.00 N ATOM 201 C2 DC A 7 2.973 10.584 0.020 1.00 0.00 C ATOM 202 O2 DC A 7 2.960 10.220 -1.154 1.00 0.00 O ATOM 203 N3 DC A 7 1.823 11.048 0.581 1.00 0.00 N ATOM 204 C4 DC A 7 1.800 11.526 1.829 1.00 0.00 C ATOM 205 N4 DC A 7 0.632 11.949 2.323 1.00 0.00 N ATOM 206 C5 DC A 7 3.002 11.612 2.610 1.00 0.00 C ATOM 207 C6 DC A 7 4.137 11.112 2.058 1.00 0.00 C ATOM 0 H5' DC A 7 6.676 6.608 1.853 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.197 6.610 0.982 1.00 0.00 H new ATOM 0 H4' DC A 7 6.744 7.454 -0.588 1.00 0.00 H new ATOM 0 H3' DC A 7 8.625 9.418 0.244 1.00 0.00 H new ATOM 0 H2' DC A 7 6.881 10.590 1.576 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.834 11.415 0.030 1.00 0.00 H new ATOM 0 H1' DC A 7 5.076 9.900 -0.829 1.00 0.00 H new ATOM 0 H41 DC A 7 0.584 12.319 3.272 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.211 11.902 1.750 1.00 0.00 H new ATOM 0 H5 DC A 7 3.003 12.056 3.595 1.00 0.00 H new ATOM 0 H6 DC A 7 5.062 11.166 2.613 1.00 0.00 H new ATOM 219 P DG A 8 8.499 10.541 -2.329 1.00 0.00 P ATOM 220 OP1 DG A 8 9.610 9.857 -3.026 1.00 0.00 O ATOM 221 OP2 DG A 8 8.792 11.670 -1.419 1.00 0.00 O ATOM 222 O5' DG A 8 7.447 11.060 -3.447 1.00 0.00 O ATOM 223 C5' DG A 8 6.103 11.334 -3.102 1.00 0.00 C ATOM 224 C4' DG A 8 5.558 12.621 -3.673 1.00 0.00 C ATOM 225 O4' DG A 8 4.288 12.620 -3.075 1.00 0.00 O ATOM 226 C3' DG A 8 6.214 13.901 -3.172 1.00 0.00 C ATOM 227 O3' DG A 8 7.198 14.373 -4.066 1.00 0.00 O ATOM 228 C2' DG A 8 5.010 14.845 -3.124 1.00 0.00 C ATOM 229 C1' DG A 8 3.792 13.913 -3.194 1.00 0.00 C ATOM 230 N9 DG A 8 2.894 14.074 -2.032 1.00 0.00 N ATOM 231 C8 DG A 8 3.221 13.951 -0.706 1.00 0.00 C ATOM 232 N7 DG A 8 2.218 14.113 0.108 1.00 0.00 N ATOM 233 C5 DG A 8 1.140 14.344 -0.739 1.00 0.00 C ATOM 234 C6 DG A 8 -0.234 14.566 -0.427 1.00 0.00 C ATOM 235 O6 DG A 8 -0.769 14.566 0.679 1.00 0.00 O ATOM 236 N1 DG A 8 -1.003 14.809 -1.562 1.00 0.00 N ATOM 237 C2 DG A 8 -0.516 14.792 -2.856 1.00 0.00 C ATOM 238 N2 DG A 8 -1.391 15.020 -3.841 1.00 0.00 N ATOM 239 N3 DG A 8 0.774 14.557 -3.153 1.00 0.00 N ATOM 240 C4 DG A 8 1.547 14.344 -2.053 1.00 0.00 C ATOM 0 H5' DG A 8 6.020 11.370 -2.016 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.479 10.508 -3.442 1.00 0.00 H new ATOM 0 H4' DG A 8 5.666 12.633 -4.758 1.00 0.00 H new ATOM 0 H3' DG A 8 6.742 13.788 -2.225 1.00 0.00 H new ATOM 0 H2' DG A 8 5.005 15.437 -2.209 1.00 0.00 H new ATOM 0 H2'' DG A 8 5.022 15.547 -3.958 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.595 15.196 -3.711 1.00 0.00 H new ATOM 0 H1' DG A 8 3.248 14.128 -4.114 1.00 0.00 H new ATOM 0 H8 DG A 8 4.224 13.738 -0.366 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.993 15.014 -1.430 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.078 15.017 -4.812 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.371 15.196 -3.622 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -9.138 16.261 -0.070 1.00 0.00 O ATOM 255 C5' DC B 1 -9.789 16.793 -1.203 1.00 0.00 C ATOM 256 C4' DC B 1 -8.889 16.852 -2.437 1.00 0.00 C ATOM 257 O4' DC B 1 -7.685 17.530 -2.107 1.00 0.00 O ATOM 258 C3' DC B 1 -8.556 15.419 -2.850 1.00 0.00 C ATOM 259 O3' DC B 1 -8.638 15.317 -4.260 1.00 0.00 O ATOM 260 C2' DC B 1 -7.147 15.283 -2.324 1.00 0.00 C ATOM 261 C1' DC B 1 -6.586 16.690 -2.426 1.00 0.00 C ATOM 262 N1 DC B 1 -5.511 16.837 -1.408 1.00 0.00 N ATOM 263 C2 DC B 1 -4.199 16.529 -1.775 1.00 0.00 C ATOM 264 O2 DC B 1 -3.905 16.274 -2.941 1.00 0.00 O ATOM 265 N3 DC B 1 -3.240 16.512 -0.804 1.00 0.00 N ATOM 266 C4 DC B 1 -3.544 16.758 0.479 1.00 0.00 C ATOM 267 N4 DC B 1 -2.571 16.695 1.394 1.00 0.00 N ATOM 268 C5 DC B 1 -4.896 17.019 0.888 1.00 0.00 C ATOM 269 C6 DC B 1 -5.835 17.038 -0.088 1.00 0.00 C ATOM 0 H5' DC B 1 -10.146 17.797 -0.972 1.00 0.00 H new ATOM 0 H5'' DC B 1 -10.666 16.187 -1.429 1.00 0.00 H new ATOM 0 H4' DC B 1 -9.392 17.378 -3.248 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.217 14.639 -2.471 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.137 14.922 -1.296 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.565 14.576 -2.916 1.00 0.00 H new ATOM 0 HO5' DC B 1 -9.759 16.249 0.688 1.00 0.00 H new ATOM 0 H1' DC B 1 -6.164 16.926 -3.403 1.00 0.00 H new ATOM 0 H41 DC B 1 -2.781 16.879 2.375 1.00 0.00 H new ATOM 0 H42 DC B 1 -1.619 16.463 1.111 1.00 0.00 H new ATOM 0 H5 DC B 1 -5.151 17.192 1.923 1.00 0.00 H new ATOM 0 H6 DC B 1 -6.866 17.216 0.179 1.00 0.00 H new ATOM 282 P DG B 2 -8.500 13.905 -5.034 1.00 0.00 P ATOM 283 OP1 DG B 2 -8.948 14.104 -6.430 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.127 12.850 -4.208 1.00 0.00 O ATOM 285 O5' DG B 2 -6.908 13.650 -5.051 1.00 0.00 O ATOM 286 C5' DG B 2 -6.010 14.629 -5.535 1.00 0.00 C ATOM 287 C4' DG B 2 -4.807 13.996 -6.255 1.00 0.00 C ATOM 288 O4' DG B 2 -3.856 13.681 -5.252 1.00 0.00 O ATOM 289 C3' DG B 2 -5.137 12.700 -7.000 1.00 0.00 C ATOM 290 O3' DG B 2 -4.248 12.583 -8.104 1.00 0.00 O ATOM 291 C2' DG B 2 -4.840 11.673 -5.914 1.00 0.00 C ATOM 292 C1' DG B 2 -3.603 12.289 -5.251 1.00 0.00 C ATOM 293 N9 DG B 2 -3.410 11.942 -3.817 1.00 0.00 N ATOM 294 C8 DG B 2 -4.340 11.912 -2.801 1.00 0.00 C ATOM 295 N7 DG B 2 -3.838 11.699 -1.617 1.00 0.00 N ATOM 296 C5 DG B 2 -2.473 11.584 -1.847 1.00 0.00 C ATOM 297 C6 DG B 2 -1.405 11.370 -0.924 1.00 0.00 C ATOM 298 O6 DG B 2 -1.466 11.275 0.299 1.00 0.00 O ATOM 299 N1 DG B 2 -0.170 11.270 -1.556 1.00 0.00 N ATOM 300 C2 DG B 2 0.027 11.423 -2.914 1.00 0.00 C ATOM 301 N2 DG B 2 1.278 11.285 -3.365 1.00 0.00 N ATOM 302 N3 DG B 2 -0.971 11.683 -3.775 1.00 0.00 N ATOM 303 C4 DG B 2 -2.199 11.737 -3.187 1.00 0.00 C ATOM 0 H5' DG B 2 -5.656 15.240 -4.704 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.534 15.296 -6.220 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.453 14.708 -7.001 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.143 12.612 -7.411 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.669 11.562 -5.215 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.636 10.685 -6.327 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.727 11.932 -5.793 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.397 12.053 -2.971 1.00 0.00 H new ATOM 0 H1 DG B 2 0.646 11.070 -0.977 1.00 0.00 H new ATOM 0 H21 DG B 2 1.476 11.389 -4.360 1.00 0.00 H new ATOM 0 H22 DG B 2 2.035 11.076 -2.714 1.00 0.00 H new ATOM 315 P DC B 3 -4.184 11.273 -9.057 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.634 11.686 -10.368 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.493 10.585 -8.996 1.00 0.00 O ATOM 318 O5' DC B 3 -3.088 10.335 -8.324 1.00 0.00 O ATOM 319 C5' DC B 3 -1.723 10.708 -8.285 1.00 0.00 C ATOM 320 C4' DC B 3 -0.876 9.741 -7.446 1.00 0.00 C ATOM 321 O4' DC B 3 -1.308 9.922 -6.117 1.00 0.00 O ATOM 322 C3' DC B 3 -1.038 8.235 -7.738 1.00 0.00 C ATOM 323 O3' DC B 3 0.074 7.707 -8.438 1.00 0.00 O ATOM 324 C2' DC B 3 -1.170 7.634 -6.336 1.00 0.00 C ATOM 325 C1' DC B 3 -0.834 8.802 -5.421 1.00 0.00 C ATOM 326 N1 DC B 3 -1.549 8.662 -4.143 1.00 0.00 N ATOM 327 C2 DC B 3 -0.856 8.243 -3.009 1.00 0.00 C ATOM 328 O2 DC B 3 0.364 8.110 -3.018 1.00 0.00 O ATOM 329 N3 DC B 3 -1.572 7.981 -1.879 1.00 0.00 N ATOM 330 C4 DC B 3 -2.909 8.044 -1.871 1.00 0.00 C ATOM 331 N4 DC B 3 -3.545 7.896 -0.706 1.00 0.00 N ATOM 332 C5 DC B 3 -3.627 8.344 -3.076 1.00 0.00 C ATOM 333 C6 DC B 3 -2.909 8.679 -4.150 1.00 0.00 C ATOM 0 H5' DC B 3 -1.636 11.714 -7.874 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.330 10.744 -9.301 1.00 0.00 H new ATOM 0 H4' DC B 3 0.164 9.976 -7.670 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.888 8.012 -8.383 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.176 7.257 -6.153 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.485 6.799 -6.190 1.00 0.00 H new ATOM 0 H1' DC B 3 0.229 8.867 -5.188 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.563 7.940 -0.672 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.012 7.739 0.150 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.706 8.301 -3.113 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.424 8.973 -5.053 1.00 0.00 H new ATOM 345 P DT B 4 0.033 6.245 -9.142 1.00 0.00 P ATOM 346 OP1 DT B 4 0.907 6.304 -10.334 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.381 5.837 -9.300 1.00 0.00 O ATOM 348 O5' DT B 4 0.713 5.224 -8.091 1.00 0.00 O ATOM 349 C5' DT B 4 0.974 3.884 -8.477 1.00 0.00 C ATOM 350 C4' DT B 4 1.590 3.074 -7.331 1.00 0.00 C ATOM 351 O4' DT B 4 0.631 2.970 -6.300 1.00 0.00 O ATOM 352 C3' DT B 4 1.899 1.633 -7.765 1.00 0.00 C ATOM 353 O3' DT B 4 3.302 1.469 -7.893 1.00 0.00 O ATOM 354 C2' DT B 4 1.290 0.774 -6.651 1.00 0.00 C ATOM 355 C1' DT B 4 0.931 1.797 -5.578 1.00 0.00 C ATOM 356 N1 DT B 4 -0.281 1.452 -4.784 1.00 0.00 N ATOM 357 C2 DT B 4 -0.162 1.395 -3.398 1.00 0.00 C ATOM 358 O2 DT B 4 0.913 1.441 -2.805 1.00 0.00 O ATOM 359 N3 DT B 4 -1.348 1.285 -2.690 1.00 0.00 N ATOM 360 C4 DT B 4 -2.625 1.233 -3.218 1.00 0.00 C ATOM 361 O4 DT B 4 -3.599 1.183 -2.469 1.00 0.00 O ATOM 362 C5 DT B 4 -2.664 1.245 -4.668 1.00 0.00 C ATOM 363 C7 DT B 4 -4.001 1.166 -5.379 1.00 0.00 C ATOM 364 C6 DT B 4 -1.516 1.349 -5.387 1.00 0.00 C ATOM 0 H5' DT B 4 1.650 3.877 -9.332 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.047 3.411 -8.800 1.00 0.00 H new ATOM 0 H4' DT B 4 2.505 3.577 -7.019 1.00 0.00 H new ATOM 0 H3' DT B 4 1.486 1.356 -8.735 1.00 0.00 H new ATOM 0 H2' DT B 4 0.412 0.229 -6.997 1.00 0.00 H new ATOM 0 H2'' DT B 4 1.999 0.034 -6.280 1.00 0.00 H new ATOM 0 H1' DT B 4 1.754 1.870 -4.868 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.271 1.237 -1.674 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.939 1.694 -6.330 1.00 0.00 H new ATOM 0 H72 DT B 4 -4.256 0.122 -5.560 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.771 1.625 -4.759 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.573 1.351 -6.465 1.00 0.00 H new ATOM 377 P DA B 5 3.972 0.091 -8.414 1.00 0.00 P ATOM 378 OP1 DA B 5 5.249 0.423 -9.083 1.00 0.00 O ATOM 379 OP2 DA B 5 2.942 -0.683 -9.143 1.00 0.00 O ATOM 380 O5' DA B 5 4.309 -0.699 -7.049 1.00 0.00 O ATOM 381 C5' DA B 5 5.345 -0.273 -6.188 1.00 0.00 C ATOM 382 C4' DA B 5 5.467 -1.031 -4.875 1.00 0.00 C ATOM 383 O4' DA B 5 4.196 -0.950 -4.246 1.00 0.00 O ATOM 384 C3' DA B 5 5.790 -2.488 -5.181 1.00 0.00 C ATOM 385 O3' DA B 5 6.431 -3.149 -4.104 1.00 0.00 O ATOM 386 C2' DA B 5 4.375 -3.008 -5.277 1.00 0.00 C ATOM 387 C1' DA B 5 3.685 -2.260 -4.143 1.00 0.00 C ATOM 388 N9 DA B 5 2.207 -2.205 -4.241 1.00 0.00 N ATOM 389 C8 DA B 5 1.365 -2.447 -5.301 1.00 0.00 C ATOM 390 N7 DA B 5 0.096 -2.387 -5.003 1.00 0.00 N ATOM 391 C5 DA B 5 0.090 -2.064 -3.652 1.00 0.00 C ATOM 392 C6 DA B 5 -0.937 -1.856 -2.708 1.00 0.00 C ATOM 393 N6 DA B 5 -2.241 -1.971 -2.986 1.00 0.00 N ATOM 394 N1 DA B 5 -0.585 -1.499 -1.461 1.00 0.00 N ATOM 395 C2 DA B 5 0.705 -1.378 -1.157 1.00 0.00 C ATOM 396 N3 DA B 5 1.759 -1.572 -1.935 1.00 0.00 N ATOM 397 C4 DA B 5 1.376 -1.918 -3.191 1.00 0.00 C ATOM 0 H5' DA B 5 5.194 0.783 -5.964 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.292 -0.354 -6.722 1.00 0.00 H new ATOM 0 H4' DA B 5 6.250 -0.620 -4.238 1.00 0.00 H new ATOM 0 H3' DA B 5 6.453 -2.627 -6.035 1.00 0.00 H new ATOM 0 H2' DA B 5 3.924 -2.788 -6.245 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.327 -4.088 -5.142 1.00 0.00 H new ATOM 0 H1' DA B 5 3.879 -2.768 -3.199 1.00 0.00 H new ATOM 0 H8 DA B 5 1.724 -2.668 -6.296 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.934 -1.807 -2.256 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.541 -2.223 -3.928 1.00 0.00 H new ATOM 0 H2 DA B 5 0.921 -1.082 -0.141 1.00 0.00 H new ATOM 409 P DG B 6 7.970 -2.890 -3.664 1.00 0.00 P ATOM 410 OP1 DG B 6 8.049 -1.592 -2.958 1.00 0.00 O ATOM 411 OP2 DG B 6 8.846 -3.159 -4.825 1.00 0.00 O ATOM 412 O5' DG B 6 8.187 -4.065 -2.570 1.00 0.00 O ATOM 413 C5' DG B 6 7.080 -4.499 -1.807 1.00 0.00 C ATOM 414 C4' DG B 6 7.340 -5.420 -0.617 1.00 0.00 C ATOM 415 O4' DG B 6 6.085 -6.008 -0.312 1.00 0.00 O ATOM 416 C3' DG B 6 8.307 -6.548 -0.932 1.00 0.00 C ATOM 417 O3' DG B 6 9.023 -6.753 0.282 1.00 0.00 O ATOM 418 C2' DG B 6 7.340 -7.615 -1.455 1.00 0.00 C ATOM 419 C1' DG B 6 6.111 -7.398 -0.574 1.00 0.00 C ATOM 420 N9 DG B 6 4.790 -7.791 -1.139 1.00 0.00 N ATOM 421 C8 DG B 6 4.419 -8.191 -2.408 1.00 0.00 C ATOM 422 N7 DG B 6 3.148 -8.441 -2.544 1.00 0.00 N ATOM 423 C5 DG B 6 2.616 -8.160 -1.296 1.00 0.00 C ATOM 424 C6 DG B 6 1.255 -8.139 -0.869 1.00 0.00 C ATOM 425 O6 DG B 6 0.251 -8.415 -1.520 1.00 0.00 O ATOM 426 N1 DG B 6 1.128 -7.743 0.459 1.00 0.00 N ATOM 427 C2 DG B 6 2.180 -7.366 1.270 1.00 0.00 C ATOM 428 N2 DG B 6 1.894 -7.039 2.534 1.00 0.00 N ATOM 429 N3 DG B 6 3.454 -7.345 0.855 1.00 0.00 N ATOM 430 C4 DG B 6 3.608 -7.757 -0.433 1.00 0.00 C ATOM 0 H5' DG B 6 6.392 -5.011 -2.480 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.564 -3.614 -1.436 1.00 0.00 H new ATOM 0 H4' DG B 6 7.779 -4.838 0.194 1.00 0.00 H new ATOM 0 H3' DG B 6 9.098 -6.447 -1.675 1.00 0.00 H new ATOM 0 H2' DG B 6 7.113 -7.475 -2.512 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.746 -8.621 -1.346 1.00 0.00 H new ATOM 0 H1' DG B 6 6.224 -8.047 0.294 1.00 0.00 H new ATOM 0 H8 DG B 6 5.124 -8.288 -3.220 1.00 0.00 H new ATOM 0 H1 DG B 6 0.191 -7.730 0.862 1.00 0.00 H new ATOM 0 H21 DG B 6 2.640 -6.754 3.169 1.00 0.00 H new ATOM 0 H22 DG B 6 0.930 -7.074 2.864 1.00 0.00 H new ATOM 442 P DC B 7 9.531 -8.163 0.884 1.00 0.00 P ATOM 443 OP1 DC B 7 10.667 -7.885 1.791 1.00 0.00 O ATOM 444 OP2 DC B 7 9.691 -9.150 -0.206 1.00 0.00 O ATOM 445 O5' DC B 7 8.263 -8.573 1.793 1.00 0.00 O ATOM 446 C5' DC B 7 7.815 -7.719 2.834 1.00 0.00 C ATOM 447 C4' DC B 7 6.590 -8.282 3.563 1.00 0.00 C ATOM 448 O4' DC B 7 5.561 -8.489 2.596 1.00 0.00 O ATOM 449 C3' DC B 7 6.891 -9.631 4.234 1.00 0.00 C ATOM 450 O3' DC B 7 6.206 -9.676 5.480 1.00 0.00 O ATOM 451 C2' DC B 7 6.285 -10.558 3.186 1.00 0.00 C ATOM 452 C1' DC B 7 5.032 -9.775 2.826 1.00 0.00 C ATOM 453 N1 DC B 7 4.257 -10.327 1.669 1.00 0.00 N ATOM 454 C2 DC B 7 2.864 -10.445 1.789 1.00 0.00 C ATOM 455 O2 DC B 7 2.273 -10.167 2.832 1.00 0.00 O ATOM 456 N3 DC B 7 2.146 -10.881 0.716 1.00 0.00 N ATOM 457 C4 DC B 7 2.748 -11.244 -0.424 1.00 0.00 C ATOM 458 N4 DC B 7 1.993 -11.640 -1.453 1.00 0.00 N ATOM 459 C5 DC B 7 4.176 -11.205 -0.548 1.00 0.00 C ATOM 460 C6 DC B 7 4.878 -10.751 0.513 1.00 0.00 C ATOM 0 H5' DC B 7 7.570 -6.741 2.419 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.623 -7.568 3.550 1.00 0.00 H new ATOM 0 H4' DC B 7 6.294 -7.574 4.337 1.00 0.00 H new ATOM 0 H3' DC B 7 7.929 -9.861 4.474 1.00 0.00 H new ATOM 0 H2' DC B 7 6.944 -10.705 2.330 1.00 0.00 H new ATOM 0 H2'' DC B 7 6.057 -11.546 3.586 1.00 0.00 H new ATOM 0 H1' DC B 7 4.271 -9.807 3.606 1.00 0.00 H new ATOM 0 H41 DC B 7 2.432 -11.920 -2.330 1.00 0.00 H new ATOM 0 H42 DC B 7 0.977 -11.662 -1.362 1.00 0.00 H new ATOM 0 H5 DC B 7 4.670 -11.526 -1.453 1.00 0.00 H new ATOM 0 H6 DC B 7 5.956 -10.719 0.454 1.00 0.00 H new ATOM 472 P DG B 8 6.363 -10.897 6.534 1.00 0.00 P ATOM 473 OP1 DG B 8 7.049 -10.377 7.738 1.00 0.00 O ATOM 474 OP2 DG B 8 6.916 -12.073 5.826 1.00 0.00 O ATOM 475 O5' DG B 8 4.827 -11.225 6.931 1.00 0.00 O ATOM 476 C5' DG B 8 3.849 -11.437 5.932 1.00 0.00 C ATOM 477 C4' DG B 8 3.079 -12.728 6.080 1.00 0.00 C ATOM 478 O4' DG B 8 2.272 -12.660 4.933 1.00 0.00 O ATOM 479 C3' DG B 8 3.882 -14.009 5.901 1.00 0.00 C ATOM 480 O3' DG B 8 4.300 -14.545 7.138 1.00 0.00 O ATOM 481 C2' DG B 8 2.843 -14.909 5.228 1.00 0.00 C ATOM 482 C1' DG B 8 1.760 -13.937 4.739 1.00 0.00 C ATOM 483 N9 DG B 8 1.538 -14.036 3.284 1.00 0.00 N ATOM 484 C8 DG B 8 2.469 -13.882 2.289 1.00 0.00 C ATOM 485 N7 DG B 8 1.990 -14.013 1.084 1.00 0.00 N ATOM 486 C5 DG B 8 0.637 -14.260 1.293 1.00 0.00 C ATOM 487 C6 DG B 8 -0.408 -14.479 0.349 1.00 0.00 C ATOM 488 O6 DG B 8 -0.333 -14.475 -0.878 1.00 0.00 O ATOM 489 N1 DG B 8 -1.634 -14.722 0.961 1.00 0.00 N ATOM 490 C2 DG B 8 -1.842 -14.723 2.328 1.00 0.00 C ATOM 491 N2 DG B 8 -3.089 -14.949 2.754 1.00 0.00 N ATOM 492 N3 DG B 8 -0.861 -14.507 3.220 1.00 0.00 N ATOM 493 C4 DG B 8 0.351 -14.287 2.639 1.00 0.00 C ATOM 0 H5' DG B 8 4.335 -11.427 4.956 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.146 -10.604 5.946 1.00 0.00 H new ATOM 0 H4' DG B 8 2.634 -12.787 7.073 1.00 0.00 H new ATOM 0 H3' DG B 8 4.806 -13.881 5.338 1.00 0.00 H new ATOM 0 H2' DG B 8 3.278 -15.469 4.400 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.436 -15.639 5.928 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.811 -15.367 6.983 1.00 0.00 H new ATOM 0 H1' DG B 8 0.833 -14.157 5.269 1.00 0.00 H new ATOM 0 H8 DG B 8 3.509 -13.670 2.487 1.00 0.00 H new ATOM 0 H1 DG B 8 -2.435 -14.913 0.359 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.292 -14.960 3.753 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.837 -15.111 2.080 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -5.522 -4.581 3.178 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.897 -4.829 3.077 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.440 -5.189 1.836 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.625 -5.218 0.694 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.309 -4.935 -0.260 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.637 -5.016 -1.706 1.00 0.00 C HETATM 513 C7 TOT A 9 -3.063 -4.803 0.269 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.871 -4.766 -0.591 1.00 0.00 C HETATM 515 S9 TOT A 9 -3.009 -4.691 1.910 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.691 -4.725 2.044 1.00 0.00 C HETATM 517 C11 TOT A 9 -5.232 -4.982 0.779 1.00 0.00 C HETATM 518 C12 TOT A 9 1.894 -4.721 -0.984 1.00 0.00 C HETATM 519 C13 TOT A 9 2.887 -5.132 -1.890 1.00 0.00 C HETATM 520 C14 TOT A 9 2.564 -5.454 -3.209 1.00 0.00 C HETATM 521 C15 TOT A 9 1.225 -5.479 -3.600 1.00 0.00 C HETATM 522 C16 TOT A 9 0.209 -5.292 -2.645 1.00 0.00 C HETATM 523 C17 TOT A 9 0.520 -4.870 -1.323 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.479 -4.584 -0.338 1.00 0.00 C HETATM 525 C19 TOT A 9 -0.040 -4.094 0.910 1.00 0.00 C HETATM 526 C20 TOT A 9 1.308 -3.832 1.152 1.00 0.00 C HETATM 527 N21 TOT A 9 2.265 -4.161 0.236 1.00 0.00 N HETATM 528 C22 TOT A 9 3.656 -3.845 0.648 1.00 0.00 C HETATM 529 C23 TOT A 9 4.020 -4.041 2.132 1.00 0.00 C HETATM 530 C24 TOT A 9 5.544 -4.000 2.339 1.00 0.00 C HETATM 531 N25 TOT A 9 5.986 -3.412 3.638 1.00 0.00 N HETATM 532 C26 TOT A 9 5.590 -1.977 3.817 1.00 0.00 C HETATM 533 C27 TOT A 9 5.888 -1.067 2.611 1.00 0.00 C HETATM 534 C28 TOT A 9 7.466 -3.535 3.704 1.00 0.00 C HETATM 535 C29 TOT A 9 5.419 -4.195 4.765 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.487 4.493 -6.097 1.00 0.00 C HETATM 537 C32 TOT A 9 -3.628 4.760 -6.864 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.834 5.062 -6.220 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.896 5.069 -4.818 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.660 4.789 -2.647 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.831 4.782 -1.735 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.351 4.736 -2.283 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.963 4.813 -0.867 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.287 4.588 -3.536 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.528 4.618 -4.690 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.740 4.849 -4.030 1.00 0.00 C HETATM 547 C42 TOT A 9 0.614 4.912 1.890 1.00 0.00 C HETATM 548 C43 TOT A 9 0.770 5.432 3.185 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.338 5.725 3.973 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.617 5.526 3.449 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.782 5.211 2.084 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.654 4.942 1.258 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.733 4.698 -0.153 1.00 0.00 C HETATM 554 C49 TOT A 9 0.462 4.333 -0.818 1.00 0.00 C HETATM 555 C50 TOT A 9 1.658 4.153 -0.111 1.00 0.00 C HETATM 556 N51 TOT A 9 1.717 4.382 1.239 1.00 0.00 N HETATM 557 C52 TOT A 9 2.996 4.056 1.912 1.00 0.00 C HETATM 558 C53 TOT A 9 3.618 2.676 1.605 1.00 0.00 C HETATM 559 C54 TOT A 9 5.105 2.658 2.024 1.00 0.00 C HETATM 560 N55 TOT A 9 5.825 1.363 1.830 1.00 0.00 N HETATM 561 C56 TOT A 9 5.403 0.373 2.869 1.00 0.00 C HETATM 562 C58 TOT A 9 7.276 1.658 1.986 1.00 0.00 C HETATM 563 C59 TOT A 9 5.601 0.845 0.456 1.00 0.00 C HETATM 0 H593 TOT A 9 4.535 0.685 0.297 1.00 0.00 H new HETATM 0 H592 TOT A 9 5.971 1.568 -0.270 1.00 0.00 H new HETATM 0 H591 TOT A 9 6.132 -0.099 0.332 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.581 2.389 1.237 1.00 0.00 H new HETATM 0 H582 TOT A 9 7.460 2.060 2.982 1.00 0.00 H new HETATM 0 H581 TOT A 9 7.850 0.741 1.853 1.00 0.00 H new HETATM 0 H562 TOT A 9 4.315 0.371 2.931 1.00 0.00 H new HETATM 0 H561 TOT A 9 5.777 0.701 3.839 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.630 3.430 1.462 1.00 0.00 H new HETATM 0 H541 TOT A 9 5.168 2.932 3.077 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.073 1.896 2.137 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.529 2.457 0.541 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.724 4.822 1.646 1.00 0.00 H new HETATM 0 H521 TOT A 9 2.840 4.125 2.989 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.828 3.865 -1.146 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.778 5.642 -1.068 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.749 4.834 -2.321 1.00 0.00 H new HETATM 0 H293 TOT A 9 4.331 -4.173 4.712 1.00 0.00 H new HETATM 0 H292 TOT A 9 5.764 -5.227 4.701 1.00 0.00 H new HETATM 0 H291 TOT A 9 5.745 -3.761 5.710 1.00 0.00 H new HETATM 0 H283 TOT A 9 7.747 -4.587 3.647 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.914 -2.995 2.870 1.00 0.00 H new HETATM 0 H281 TOT A 9 7.825 -3.114 4.643 1.00 0.00 H new HETATM 0 H272 TOT A 9 6.959 -1.063 2.411 1.00 0.00 H new HETATM 0 H271 TOT A 9 5.399 -1.465 1.722 1.00 0.00 H new HETATM 0 H262 TOT A 9 4.522 -1.934 4.031 1.00 0.00 H new HETATM 0 H261 TOT A 9 6.106 -1.579 4.690 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.934 -5.015 2.265 1.00 0.00 H new HETATM 0 H241 TOT A 9 5.991 -3.427 1.527 1.00 0.00 H new HETATM 0 H232 TOT A 9 3.548 -3.263 2.731 1.00 0.00 H new HETATM 0 H231 TOT A 9 3.628 -4.996 2.483 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.331 -4.459 0.052 1.00 0.00 H new HETATM 0 H221 TOT A 9 3.856 -2.806 0.387 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.100 -4.908 -1.647 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.299 -4.109 -2.207 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.138 -5.880 -2.144 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.715 -5.118 -1.829 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.553 3.827 -0.641 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.452 4.190 -1.898 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.784 5.173 1.657 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.490 5.614 4.096 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.210 6.105 4.987 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.772 5.608 3.577 1.00 0.00 H new HETATM 0 H4 TOT A 9 -7.073 -5.426 -0.277 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.812 5.002 -0.210 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.852 5.247 -4.326 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.723 5.291 -6.807 1.00 0.00 H new HETATM 0 H32 TOT A 9 -3.578 4.733 -7.952 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.563 4.187 -6.588 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.496 -5.447 1.758 1.00 0.00 H new HETATM 0 H20 TOT A 9 1.602 -3.357 2.088 1.00 0.00 H new HETATM 0 H2 TOT A 9 -7.538 -4.743 3.954 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.769 -3.917 1.701 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.830 -5.473 -2.922 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.966 -5.643 -4.646 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.351 -5.684 -3.927 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.923 -5.200 -1.558 1.00 0.00 H new HETATM 0 H1 TOT A 9 -5.092 -4.277 4.132 1.00 0.00 H new