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 -10.580 -14.746 -5.016 1.00 0.00 O ATOM 2 C5' DC A 1 -10.504 -13.570 -4.238 1.00 0.00 C ATOM 3 C4' DC A 1 -10.045 -13.905 -2.814 1.00 0.00 C ATOM 4 O4' DC A 1 -8.726 -14.428 -2.902 1.00 0.00 O ATOM 5 C3' DC A 1 -10.004 -12.646 -1.935 1.00 0.00 C ATOM 6 O3' DC A 1 -10.728 -12.900 -0.748 1.00 0.00 O ATOM 7 C2' DC A 1 -8.514 -12.471 -1.685 1.00 0.00 C ATOM 8 C1' DC A 1 -7.918 -13.847 -1.894 1.00 0.00 C ATOM 9 N1 DC A 1 -6.527 -13.667 -2.395 1.00 0.00 N ATOM 10 C2 DC A 1 -5.503 -13.540 -1.454 1.00 0.00 C ATOM 11 O2 DC A 1 -5.691 -13.794 -0.266 1.00 0.00 O ATOM 12 N3 DC A 1 -4.277 -13.121 -1.878 1.00 0.00 N ATOM 13 C4 DC A 1 -4.050 -12.808 -3.162 1.00 0.00 C ATOM 14 N4 DC A 1 -2.843 -12.354 -3.511 1.00 0.00 N ATOM 15 C5 DC A 1 -5.088 -12.919 -4.146 1.00 0.00 C ATOM 16 C6 DC A 1 -6.297 -13.347 -3.715 1.00 0.00 C ATOM 0 H5' DC A 1 -11.478 -13.081 -4.208 1.00 0.00 H new ATOM 0 H5'' DC A 1 -9.808 -12.867 -4.696 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.741 -14.617 -2.370 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.449 -11.752 -2.372 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.081 -11.745 -2.373 1.00 0.00 H new ATOM 0 H2'' DC A 1 -8.323 -12.107 -0.675 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.876 -14.520 -5.923 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.888 -14.460 -0.993 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.651 -12.111 -4.483 1.00 0.00 H new ATOM 0 H42 DC A 1 -2.113 -12.251 -2.806 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.913 -12.672 -5.183 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.105 -13.440 -4.426 1.00 0.00 H new ATOM 29 P DG A 2 -11.016 -11.745 0.342 1.00 0.00 P ATOM 30 OP1 DG A 2 -12.007 -12.267 1.309 1.00 0.00 O ATOM 31 OP2 DG A 2 -11.286 -10.475 -0.369 1.00 0.00 O ATOM 32 O5' DG A 2 -9.599 -11.609 1.097 1.00 0.00 O ATOM 33 C5' DG A 2 -8.955 -12.735 1.666 1.00 0.00 C ATOM 34 C4' DG A 2 -7.991 -12.321 2.792 1.00 0.00 C ATOM 35 O4' DG A 2 -6.708 -12.174 2.204 1.00 0.00 O ATOM 36 C3' DG A 2 -8.349 -10.979 3.447 1.00 0.00 C ATOM 37 O3' DG A 2 -7.994 -11.045 4.819 1.00 0.00 O ATOM 38 C2' DG A 2 -7.454 -10.029 2.655 1.00 0.00 C ATOM 39 C1' DG A 2 -6.197 -10.887 2.491 1.00 0.00 C ATOM 40 N9 DG A 2 -5.327 -10.557 1.327 1.00 0.00 N ATOM 41 C8 DG A 2 -5.673 -10.168 0.050 1.00 0.00 C ATOM 42 N7 DG A 2 -4.670 -10.093 -0.779 1.00 0.00 N ATOM 43 C5 DG A 2 -3.569 -10.441 -0.007 1.00 0.00 C ATOM 44 C6 DG A 2 -2.188 -10.510 -0.363 1.00 0.00 C ATOM 45 O6 DG A 2 -1.684 -10.373 -1.474 1.00 0.00 O ATOM 46 N1 DG A 2 -1.369 -10.768 0.733 1.00 0.00 N ATOM 47 C2 DG A 2 -1.832 -11.002 2.013 1.00 0.00 C ATOM 48 N2 DG A 2 -0.915 -11.228 2.959 1.00 0.00 N ATOM 49 N3 DG A 2 -3.136 -11.002 2.335 1.00 0.00 N ATOM 50 C4 DG A 2 -3.955 -10.703 1.287 1.00 0.00 C ATOM 0 H5' DG A 2 -8.405 -13.271 0.893 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.703 -13.423 2.060 1.00 0.00 H new ATOM 0 H4' DG A 2 -8.039 -13.085 3.568 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.399 -10.686 3.426 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.892 -9.751 1.697 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.255 -9.103 3.195 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.587 -10.756 3.385 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.689 -9.944 -0.239 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.361 -10.785 0.581 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.207 -11.406 3.920 1.00 0.00 H new ATOM 0 H22 DG A 2 0.077 -11.222 2.720 1.00 0.00 H new ATOM 62 P DC A 3 -8.133 -9.782 5.820 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.314 -10.303 7.193 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.122 -8.834 5.258 1.00 0.00 O ATOM 65 O5' DC A 3 -6.671 -9.105 5.724 1.00 0.00 O ATOM 66 C5' DC A 3 -5.532 -9.772 6.233 1.00 0.00 C ATOM 67 C4' DC A 3 -4.239 -8.972 6.020 1.00 0.00 C ATOM 68 O4' DC A 3 -3.937 -9.130 4.654 1.00 0.00 O ATOM 69 C3' DC A 3 -4.308 -7.450 6.272 1.00 0.00 C ATOM 70 O3' DC A 3 -3.640 -7.072 7.464 1.00 0.00 O ATOM 71 C2' DC A 3 -3.633 -6.873 5.026 1.00 0.00 C ATOM 72 C1' DC A 3 -3.035 -8.103 4.352 1.00 0.00 C ATOM 73 N1 DC A 3 -2.991 -7.908 2.895 1.00 0.00 N ATOM 74 C2 DC A 3 -1.771 -7.666 2.271 1.00 0.00 C ATOM 75 O2 DC A 3 -0.712 -7.749 2.885 1.00 0.00 O ATOM 76 N3 DC A 3 -1.777 -7.332 0.951 1.00 0.00 N ATOM 77 C4 DC A 3 -2.927 -7.161 0.284 1.00 0.00 C ATOM 78 N4 DC A 3 -2.868 -6.964 -1.036 1.00 0.00 N ATOM 79 C5 DC A 3 -4.187 -7.302 0.957 1.00 0.00 C ATOM 80 C6 DC A 3 -4.161 -7.718 2.226 1.00 0.00 C ATOM 0 H5' DC A 3 -5.438 -10.744 5.749 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.669 -9.958 7.298 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.514 -9.352 6.740 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.325 -7.087 6.417 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.349 -6.367 4.378 1.00 0.00 H new ATOM 0 H2'' DC A 3 -2.866 -6.143 5.285 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.019 -8.311 4.688 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.726 -6.831 -1.571 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.965 -6.947 -1.509 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.119 -7.081 0.457 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.094 -7.909 2.735 1.00 0.00 H new ATOM 92 P DT A 4 -3.929 -5.656 8.207 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.600 -5.841 9.638 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.282 -5.189 7.831 1.00 0.00 O ATOM 95 O5' DT A 4 -2.871 -4.593 7.606 1.00 0.00 O ATOM 96 C5' DT A 4 -2.809 -3.276 8.134 1.00 0.00 C ATOM 97 C4' DT A 4 -1.694 -2.460 7.472 1.00 0.00 C ATOM 98 O4' DT A 4 -2.046 -2.293 6.112 1.00 0.00 O ATOM 99 C3' DT A 4 -1.576 -1.046 8.073 1.00 0.00 C ATOM 100 O3' DT A 4 -0.223 -0.819 8.433 1.00 0.00 O ATOM 101 C2' DT A 4 -2.016 -0.131 6.927 1.00 0.00 C ATOM 102 C1' DT A 4 -1.638 -0.999 5.734 1.00 0.00 C ATOM 103 N1 DT A 4 -2.332 -0.666 4.460 1.00 0.00 N ATOM 104 C2 DT A 4 -1.546 -0.547 3.320 1.00 0.00 C ATOM 105 O2 DT A 4 -0.320 -0.500 3.348 1.00 0.00 O ATOM 106 N3 DT A 4 -2.223 -0.483 2.115 1.00 0.00 N ATOM 107 C4 DT A 4 -3.596 -0.474 1.939 1.00 0.00 C ATOM 108 O4 DT A 4 -4.068 -0.445 0.805 1.00 0.00 O ATOM 109 C5 DT A 4 -4.348 -0.504 3.178 1.00 0.00 C ATOM 110 C7 DT A 4 -5.862 -0.424 3.134 1.00 0.00 C ATOM 111 C6 DT A 4 -3.707 -0.609 4.370 1.00 0.00 C ATOM 0 H5' DT A 4 -2.639 -3.321 9.210 1.00 0.00 H new ATOM 0 H5'' DT A 4 -3.766 -2.777 7.983 1.00 0.00 H new ATOM 0 H4' DT A 4 -0.751 -2.987 7.618 1.00 0.00 H new ATOM 0 H3' DT A 4 -2.174 -0.884 8.970 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.082 0.092 6.958 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.490 0.824 6.931 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.576 -0.867 5.527 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.652 -0.438 1.271 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.280 -0.965 3.983 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.173 0.620 3.180 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.223 -0.869 2.207 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.292 -0.649 5.277 1.00 0.00 H new ATOM 124 P DA A 5 0.255 0.538 9.170 1.00 0.00 P ATOM 125 OP1 DA A 5 1.344 0.184 10.107 1.00 0.00 O ATOM 126 OP2 DA A 5 -0.944 1.242 9.677 1.00 0.00 O ATOM 127 O5' DA A 5 0.878 1.427 7.971 1.00 0.00 O ATOM 128 C5' DA A 5 2.224 1.278 7.561 1.00 0.00 C ATOM 129 C4' DA A 5 2.756 2.313 6.583 1.00 0.00 C ATOM 130 O4' DA A 5 2.116 2.127 5.325 1.00 0.00 O ATOM 131 C3' DA A 5 2.383 3.672 7.158 1.00 0.00 C ATOM 132 O3' DA A 5 3.331 4.672 6.862 1.00 0.00 O ATOM 133 C2' DA A 5 1.127 3.886 6.355 1.00 0.00 C ATOM 134 C1' DA A 5 1.470 3.332 4.976 1.00 0.00 C ATOM 135 N9 DA A 5 0.266 2.986 4.179 1.00 0.00 N ATOM 136 C8 DA A 5 -1.074 3.070 4.492 1.00 0.00 C ATOM 137 N7 DA A 5 -1.877 2.836 3.492 1.00 0.00 N ATOM 138 C5 DA A 5 -1.014 2.534 2.448 1.00 0.00 C ATOM 139 C6 DA A 5 -1.216 2.202 1.093 1.00 0.00 C ATOM 140 N6 DA A 5 -2.422 2.179 0.512 1.00 0.00 N ATOM 141 N1 DA A 5 -0.141 1.876 0.355 1.00 0.00 N ATOM 142 C2 DA A 5 1.066 1.900 0.911 1.00 0.00 C ATOM 143 N3 DA A 5 1.390 2.232 2.154 1.00 0.00 N ATOM 144 C4 DA A 5 0.289 2.549 2.881 1.00 0.00 C ATOM 0 H5' DA A 5 2.335 0.293 7.108 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.855 1.293 8.450 1.00 0.00 H new ATOM 0 H4' DA A 5 3.833 2.229 6.441 1.00 0.00 H new ATOM 0 H3' DA A 5 2.302 3.712 8.244 1.00 0.00 H new ATOM 0 H2' DA A 5 0.278 3.363 6.795 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.860 4.942 6.306 1.00 0.00 H new ATOM 0 H1' DA A 5 2.037 4.042 4.373 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.429 3.310 5.483 1.00 0.00 H new ATOM 0 H61 DA A 5 -2.509 1.931 -0.474 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.254 2.409 1.055 1.00 0.00 H new ATOM 0 H2 DA A 5 1.887 1.613 0.270 1.00 0.00 H new ATOM 156 P DG A 6 4.766 4.808 7.615 1.00 0.00 P ATOM 157 OP1 DG A 6 5.646 3.712 7.148 1.00 0.00 O ATOM 158 OP2 DG A 6 4.535 5.017 9.060 1.00 0.00 O ATOM 159 O5' DG A 6 5.304 6.189 6.964 1.00 0.00 O ATOM 160 C5' DG A 6 4.734 6.599 5.742 1.00 0.00 C ATOM 161 C4' DG A 6 5.447 7.635 4.889 1.00 0.00 C ATOM 162 O4' DG A 6 4.502 8.003 3.899 1.00 0.00 O ATOM 163 C3' DG A 6 5.818 8.878 5.680 1.00 0.00 C ATOM 164 O3' DG A 6 7.057 9.315 5.129 1.00 0.00 O ATOM 165 C2' DG A 6 4.538 9.706 5.511 1.00 0.00 C ATOM 166 C1' DG A 6 4.100 9.345 4.093 1.00 0.00 C ATOM 167 N9 DG A 6 2.653 9.436 3.775 1.00 0.00 N ATOM 168 C8 DG A 6 1.556 9.706 4.563 1.00 0.00 C ATOM 169 N7 DG A 6 0.420 9.685 3.922 1.00 0.00 N ATOM 170 C5 DG A 6 0.772 9.340 2.623 1.00 0.00 C ATOM 171 C6 DG A 6 -0.049 9.040 1.493 1.00 0.00 C ATOM 172 O6 DG A 6 -1.274 9.085 1.406 1.00 0.00 O ATOM 173 N1 DG A 6 0.702 8.651 0.387 1.00 0.00 N ATOM 174 C2 DG A 6 2.076 8.514 0.376 1.00 0.00 C ATOM 175 N2 DG A 6 2.650 8.119 -0.764 1.00 0.00 N ATOM 176 N3 DG A 6 2.841 8.762 1.445 1.00 0.00 N ATOM 177 C4 DG A 6 2.133 9.176 2.530 1.00 0.00 C ATOM 0 H5' DG A 6 3.739 6.986 5.960 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.602 5.708 5.129 1.00 0.00 H new ATOM 0 H4' DG A 6 6.374 7.223 4.490 1.00 0.00 H new ATOM 0 H3' DG A 6 6.037 8.848 6.747 1.00 0.00 H new ATOM 0 H2' DG A 6 3.782 9.441 6.250 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.728 10.774 5.618 1.00 0.00 H new ATOM 0 H1' DG A 6 4.559 10.085 3.437 1.00 0.00 H new ATOM 0 H8 DG A 6 1.630 9.917 5.620 1.00 0.00 H new ATOM 0 H1 DG A 6 0.200 8.453 -0.479 1.00 0.00 H new ATOM 0 H21 DG A 6 3.663 8.006 -0.813 1.00 0.00 H new ATOM 0 H22 DG A 6 2.076 7.930 -1.586 1.00 0.00 H new ATOM 189 P DC A 7 7.497 10.835 4.798 1.00 0.00 P ATOM 190 OP1 DC A 7 8.974 10.865 4.717 1.00 0.00 O ATOM 191 OP2 DC A 7 6.800 11.774 5.704 1.00 0.00 O ATOM 192 O5' DC A 7 6.921 11.011 3.303 1.00 0.00 O ATOM 193 C5' DC A 7 7.328 10.138 2.260 1.00 0.00 C ATOM 194 C4' DC A 7 6.666 10.494 0.923 1.00 0.00 C ATOM 195 O4' DC A 7 5.255 10.457 1.122 1.00 0.00 O ATOM 196 C3' DC A 7 7.040 11.908 0.451 1.00 0.00 C ATOM 197 O3' DC A 7 7.195 11.885 -0.964 1.00 0.00 O ATOM 198 C2' DC A 7 5.790 12.659 0.899 1.00 0.00 C ATOM 199 C1' DC A 7 4.724 11.630 0.551 1.00 0.00 C ATOM 200 N1 DC A 7 3.343 11.952 1.032 1.00 0.00 N ATOM 201 C2 DC A 7 2.271 11.753 0.150 1.00 0.00 C ATOM 202 O2 DC A 7 2.437 11.378 -1.010 1.00 0.00 O ATOM 203 N3 DC A 7 1.004 11.983 0.595 1.00 0.00 N ATOM 204 C4 DC A 7 0.769 12.436 1.832 1.00 0.00 C ATOM 205 N4 DC A 7 -0.498 12.614 2.218 1.00 0.00 N ATOM 206 C5 DC A 7 1.850 12.715 2.732 1.00 0.00 C ATOM 207 C6 DC A 7 3.103 12.464 2.290 1.00 0.00 C ATOM 0 H5' DC A 7 7.077 9.112 2.527 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.412 10.183 2.152 1.00 0.00 H new ATOM 0 H4' DC A 7 7.004 9.784 0.168 1.00 0.00 H new ATOM 0 H3' DC A 7 7.966 12.339 0.833 1.00 0.00 H new ATOM 0 H2' DC A 7 5.807 12.899 1.962 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.653 13.598 0.363 1.00 0.00 H new ATOM 0 H1' DC A 7 4.550 11.564 -0.523 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.702 12.958 3.156 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.261 12.405 1.574 1.00 0.00 H new ATOM 0 H5 DC A 7 1.671 13.109 3.721 1.00 0.00 H new ATOM 0 H6 DC A 7 3.940 12.670 2.941 1.00 0.00 H new ATOM 219 P DG A 8 7.695 13.167 -1.822 1.00 0.00 P ATOM 220 OP1 DG A 8 9.015 12.836 -2.403 1.00 0.00 O ATOM 221 OP2 DG A 8 7.545 14.386 -0.997 1.00 0.00 O ATOM 222 O5' DG A 8 6.619 13.241 -3.032 1.00 0.00 O ATOM 223 C5' DG A 8 5.230 13.189 -2.772 1.00 0.00 C ATOM 224 C4' DG A 8 4.432 14.308 -3.397 1.00 0.00 C ATOM 225 O4' DG A 8 3.157 14.016 -2.886 1.00 0.00 O ATOM 226 C3' DG A 8 4.735 15.713 -2.887 1.00 0.00 C ATOM 227 O3' DG A 8 5.592 16.412 -3.764 1.00 0.00 O ATOM 228 C2' DG A 8 3.336 16.338 -2.868 1.00 0.00 C ATOM 229 C1' DG A 8 2.391 15.153 -3.108 1.00 0.00 C ATOM 230 N9 DG A 8 1.302 15.102 -2.112 1.00 0.00 N ATOM 231 C8 DG A 8 1.421 14.999 -0.750 1.00 0.00 C ATOM 232 N7 DG A 8 0.286 15.038 -0.112 1.00 0.00 N ATOM 233 C5 DG A 8 -0.661 15.158 -1.124 1.00 0.00 C ATOM 234 C6 DG A 8 -2.080 15.290 -1.042 1.00 0.00 C ATOM 235 O6 DG A 8 -2.785 15.329 -0.033 1.00 0.00 O ATOM 236 N1 DG A 8 -2.671 15.390 -2.301 1.00 0.00 N ATOM 237 C2 DG A 8 -1.984 15.380 -3.500 1.00 0.00 C ATOM 238 N2 DG A 8 -2.706 15.524 -4.618 1.00 0.00 N ATOM 239 N3 DG A 8 -0.646 15.298 -3.575 1.00 0.00 N ATOM 240 C4 DG A 8 -0.047 15.191 -2.356 1.00 0.00 C ATOM 0 H5' DG A 8 5.074 13.208 -1.693 1.00 0.00 H new ATOM 0 H5'' DG A 8 4.841 12.237 -3.134 1.00 0.00 H new ATOM 0 H4' DG A 8 4.607 14.335 -4.473 1.00 0.00 H new ATOM 0 H3' DG A 8 5.249 15.731 -1.926 1.00 0.00 H new ATOM 0 H2' DG A 8 3.130 16.825 -1.915 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.228 17.097 -3.643 1.00 0.00 H new ATOM 0 HO3' DG A 8 5.764 17.309 -3.408 1.00 0.00 H new ATOM 0 H1' DG A 8 1.958 15.235 -4.105 1.00 0.00 H new ATOM 0 H8 DG A 8 2.373 14.895 -0.250 1.00 0.00 H new ATOM 0 H1 DG A 8 -3.687 15.477 -2.340 1.00 0.00 H new ATOM 0 H21 DG A 8 -2.244 15.523 -5.527 1.00 0.00 H new ATOM 0 H22 DG A 8 -3.718 15.635 -4.561 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -11.950 16.947 -2.600 1.00 0.00 O ATOM 255 C5' DC B 1 -11.367 15.668 -2.729 1.00 0.00 C ATOM 256 C4' DC B 1 -10.264 15.693 -3.793 1.00 0.00 C ATOM 257 O4' DC B 1 -9.235 16.554 -3.328 1.00 0.00 O ATOM 258 C3' DC B 1 -9.639 14.303 -3.994 1.00 0.00 C ATOM 259 O3' DC B 1 -9.686 13.974 -5.370 1.00 0.00 O ATOM 260 C2' DC B 1 -8.207 14.517 -3.510 1.00 0.00 C ATOM 261 C1' DC B 1 -8.004 16.004 -3.748 1.00 0.00 C ATOM 262 N1 DC B 1 -6.904 16.542 -2.904 1.00 0.00 N ATOM 263 C2 DC B 1 -5.695 16.887 -3.513 1.00 0.00 C ATOM 264 O2 DC B 1 -5.518 16.755 -4.722 1.00 0.00 O ATOM 265 N3 DC B 1 -4.693 17.374 -2.729 1.00 0.00 N ATOM 266 C4 DC B 1 -4.824 17.459 -1.399 1.00 0.00 C ATOM 267 N4 DC B 1 -3.729 17.760 -0.697 1.00 0.00 N ATOM 268 C5 DC B 1 -6.012 16.996 -0.740 1.00 0.00 C ATOM 269 C6 DC B 1 -7.024 16.570 -1.533 1.00 0.00 C ATOM 0 H5' DC B 1 -12.130 14.939 -3.003 1.00 0.00 H new ATOM 0 H5'' DC B 1 -10.952 15.351 -1.772 1.00 0.00 H new ATOM 0 H4' DC B 1 -10.699 16.025 -4.735 1.00 0.00 H new ATOM 0 H3' DC B 1 -10.138 13.489 -3.468 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.089 14.254 -2.459 1.00 0.00 H new ATOM 0 H2'' DC B 1 -7.493 13.914 -4.072 1.00 0.00 H new ATOM 0 HO5' DC B 1 -12.654 16.918 -1.919 1.00 0.00 H new ATOM 0 H1' DC B 1 -7.736 16.234 -4.779 1.00 0.00 H new ATOM 0 H41 DC B 1 -3.779 17.836 0.319 1.00 0.00 H new ATOM 0 H42 DC B 1 -2.842 17.914 -1.177 1.00 0.00 H new ATOM 0 H5 DC B 1 -6.095 16.988 0.337 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.948 16.244 -1.078 1.00 0.00 H new ATOM 282 P DG B 2 -9.214 12.534 -5.930 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.672 12.423 -7.333 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.603 11.495 -4.951 1.00 0.00 O ATOM 285 O5' DG B 2 -7.604 12.635 -5.940 1.00 0.00 O ATOM 286 C5' DG B 2 -6.932 13.719 -6.554 1.00 0.00 C ATOM 287 C4' DG B 2 -5.514 13.326 -6.997 1.00 0.00 C ATOM 288 O4' DG B 2 -4.696 13.349 -5.836 1.00 0.00 O ATOM 289 C3' DG B 2 -5.431 11.917 -7.592 1.00 0.00 C ATOM 290 O3' DG B 2 -4.421 11.919 -8.591 1.00 0.00 O ATOM 291 C2' DG B 2 -5.020 11.113 -6.365 1.00 0.00 C ATOM 292 C1' DG B 2 -4.063 12.093 -5.681 1.00 0.00 C ATOM 293 N9 DG B 2 -3.927 11.904 -4.212 1.00 0.00 N ATOM 294 C8 DG B 2 -4.914 11.708 -3.273 1.00 0.00 C ATOM 295 N7 DG B 2 -4.485 11.626 -2.047 1.00 0.00 N ATOM 296 C5 DG B 2 -3.111 11.781 -2.165 1.00 0.00 C ATOM 297 C6 DG B 2 -2.101 11.751 -1.157 1.00 0.00 C ATOM 298 O6 DG B 2 -2.246 11.628 0.056 1.00 0.00 O ATOM 299 N1 DG B 2 -0.822 11.883 -1.685 1.00 0.00 N ATOM 300 C2 DG B 2 -0.545 12.066 -3.025 1.00 0.00 C ATOM 301 N2 DG B 2 0.743 12.127 -3.374 1.00 0.00 N ATOM 302 N3 DG B 2 -1.499 12.139 -3.969 1.00 0.00 N ATOM 303 C4 DG B 2 -2.759 11.972 -3.481 1.00 0.00 C ATOM 0 H5' DG B 2 -6.878 14.556 -5.858 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.503 14.060 -7.418 1.00 0.00 H new ATOM 0 H4' DG B 2 -5.198 14.025 -7.771 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.333 11.534 -8.070 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.872 10.860 -5.734 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.530 10.176 -6.631 1.00 0.00 H new ATOM 0 H1' DG B 2 -3.071 11.971 -6.117 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.959 11.629 -3.532 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.034 11.842 -1.038 1.00 0.00 H new ATOM 0 H21 DG B 2 1.001 12.261 -4.352 1.00 0.00 H new ATOM 0 H22 DG B 2 1.469 12.039 -2.663 1.00 0.00 H new ATOM 315 P DC B 3 -3.951 10.580 -9.371 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.361 10.991 -10.665 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.067 9.608 -9.351 1.00 0.00 O ATOM 318 O5' DC B 3 -2.764 10.005 -8.435 1.00 0.00 O ATOM 319 C5' DC B 3 -1.522 10.677 -8.332 1.00 0.00 C ATOM 320 C4' DC B 3 -0.545 9.961 -7.386 1.00 0.00 C ATOM 321 O4' DC B 3 -1.037 10.182 -6.085 1.00 0.00 O ATOM 322 C3' DC B 3 -0.438 8.430 -7.540 1.00 0.00 C ATOM 323 O3' DC B 3 0.770 8.034 -8.166 1.00 0.00 O ATOM 324 C2' DC B 3 -0.531 7.935 -6.094 1.00 0.00 C ATOM 325 C1' DC B 3 -0.418 9.215 -5.278 1.00 0.00 C ATOM 326 N1 DC B 3 -1.163 9.049 -4.019 1.00 0.00 N ATOM 327 C2 DC B 3 -0.470 8.749 -2.848 1.00 0.00 C ATOM 328 O2 DC B 3 0.756 8.790 -2.802 1.00 0.00 O ATOM 329 N3 DC B 3 -1.193 8.406 -1.745 1.00 0.00 N ATOM 330 C4 DC B 3 -2.525 8.279 -1.795 1.00 0.00 C ATOM 331 N4 DC B 3 -3.185 8.080 -0.651 1.00 0.00 N ATOM 332 C5 DC B 3 -3.225 8.454 -3.036 1.00 0.00 C ATOM 333 C6 DC B 3 -2.512 8.875 -4.085 1.00 0.00 C ATOM 0 H5' DC B 3 -1.690 11.693 -7.975 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.072 10.757 -9.322 1.00 0.00 H new ATOM 0 H4' DC B 3 0.444 10.360 -7.611 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.211 8.013 -8.185 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.473 7.419 -5.905 1.00 0.00 H new ATOM 0 H2'' DC B 3 0.269 7.234 -5.856 1.00 0.00 H new ATOM 0 H1' DC B 3 0.607 9.481 -5.021 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.200 7.980 -0.659 1.00 0.00 H new ATOM 0 H42 DC B 3 -2.674 8.028 0.230 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.283 8.254 -3.118 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.022 9.084 -5.014 1.00 0.00 H new ATOM 345 P DT B 4 0.976 6.543 -8.773 1.00 0.00 P ATOM 346 OP1 DT B 4 1.977 6.648 -9.859 1.00 0.00 O ATOM 347 OP2 DT B 4 -0.352 5.959 -9.066 1.00 0.00 O ATOM 348 O5' DT B 4 1.637 5.667 -7.589 1.00 0.00 O ATOM 349 C5' DT B 4 2.115 4.358 -7.856 1.00 0.00 C ATOM 350 C4' DT B 4 2.690 3.710 -6.593 1.00 0.00 C ATOM 351 O4' DT B 4 1.619 3.510 -5.692 1.00 0.00 O ATOM 352 C3' DT B 4 3.285 2.321 -6.885 1.00 0.00 C ATOM 353 O3' DT B 4 4.626 2.302 -6.427 1.00 0.00 O ATOM 354 C2' DT B 4 2.393 1.367 -6.084 1.00 0.00 C ATOM 355 C1' DT B 4 1.874 2.308 -5.003 1.00 0.00 C ATOM 356 N1 DT B 4 0.594 1.886 -4.371 1.00 0.00 N ATOM 357 C2 DT B 4 0.549 1.830 -2.982 1.00 0.00 C ATOM 358 O2 DT B 4 1.547 1.909 -2.271 1.00 0.00 O ATOM 359 N3 DT B 4 -0.706 1.677 -2.418 1.00 0.00 N ATOM 360 C4 DT B 4 -1.905 1.547 -3.096 1.00 0.00 C ATOM 361 O4 DT B 4 -2.955 1.456 -2.464 1.00 0.00 O ATOM 362 C5 DT B 4 -1.768 1.536 -4.540 1.00 0.00 C ATOM 363 C7 DT B 4 -3.001 1.349 -5.403 1.00 0.00 C ATOM 364 C6 DT B 4 -0.551 1.706 -5.118 1.00 0.00 C ATOM 0 H5' DT B 4 2.883 4.399 -8.629 1.00 0.00 H new ATOM 0 H5'' DT B 4 1.303 3.744 -8.246 1.00 0.00 H new ATOM 0 H4' DT B 4 3.471 4.360 -6.198 1.00 0.00 H new ATOM 0 H3' DT B 4 3.308 2.049 -7.940 1.00 0.00 H new ATOM 0 H2' DT B 4 1.589 0.947 -6.688 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.952 0.528 -5.669 1.00 0.00 H new ATOM 0 H1' DT B 4 2.605 2.358 -4.196 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.751 1.658 -1.399 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.863 1.867 -6.352 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.157 0.286 -5.589 1.00 0.00 H new ATOM 0 H73 DT B 4 -3.870 1.759 -4.889 1.00 0.00 H new ATOM 0 H6 DT B 4 -0.478 1.700 -6.195 1.00 0.00 H new ATOM 377 P DA B 5 5.626 1.069 -6.733 1.00 0.00 P ATOM 378 OP1 DA B 5 7.008 1.595 -6.723 1.00 0.00 O ATOM 379 OP2 DA B 5 5.128 0.349 -7.926 1.00 0.00 O ATOM 380 O5' DA B 5 5.443 0.095 -5.457 1.00 0.00 O ATOM 381 C5' DA B 5 6.100 0.341 -4.225 1.00 0.00 C ATOM 382 C4' DA B 5 6.013 -0.752 -3.156 1.00 0.00 C ATOM 383 O4' DA B 5 4.777 -0.611 -2.430 1.00 0.00 O ATOM 384 C3' DA B 5 6.058 -2.089 -3.895 1.00 0.00 C ATOM 385 O3' DA B 5 6.743 -3.101 -3.199 1.00 0.00 O ATOM 386 C2' DA B 5 4.560 -2.309 -3.878 1.00 0.00 C ATOM 387 C1' DA B 5 4.001 -1.792 -2.584 1.00 0.00 C ATOM 388 N9 DA B 5 2.536 -1.506 -2.600 1.00 0.00 N ATOM 389 C8 DA B 5 1.608 -1.542 -3.627 1.00 0.00 C ATOM 390 N7 DA B 5 0.372 -1.385 -3.247 1.00 0.00 N ATOM 391 C5 DA B 5 0.469 -1.278 -1.870 1.00 0.00 C ATOM 392 C6 DA B 5 -0.498 -1.184 -0.851 1.00 0.00 C ATOM 393 N6 DA B 5 -1.810 -1.099 -1.101 1.00 0.00 N ATOM 394 N1 DA B 5 -0.078 -1.214 0.426 1.00 0.00 N ATOM 395 C2 DA B 5 1.225 -1.293 0.682 1.00 0.00 C ATOM 396 N3 DA B 5 2.230 -1.355 -0.183 1.00 0.00 N ATOM 397 C4 DA B 5 1.778 -1.354 -1.465 1.00 0.00 C ATOM 0 H5' DA B 5 5.693 1.260 -3.803 1.00 0.00 H new ATOM 0 H5'' DA B 5 7.154 0.526 -4.435 1.00 0.00 H new ATOM 0 H4' DA B 5 6.831 -0.685 -2.438 1.00 0.00 H new ATOM 0 H3' DA B 5 6.574 -2.099 -4.855 1.00 0.00 H new ATOM 0 H2' DA B 5 4.095 -1.796 -4.720 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.335 -3.370 -3.988 1.00 0.00 H new ATOM 0 H1' DA B 5 4.068 -2.514 -1.770 1.00 0.00 H new ATOM 0 H8 DA B 5 1.887 -1.688 -4.660 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.473 -1.033 -0.329 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.147 -1.101 -2.064 1.00 0.00 H new ATOM 0 H2 DA B 5 1.500 -1.309 1.726 1.00 0.00 H new ATOM 409 P DG B 6 8.340 -3.374 -3.381 1.00 0.00 P ATOM 410 OP1 DG B 6 9.073 -2.293 -2.686 1.00 0.00 O ATOM 411 OP2 DG B 6 8.611 -3.661 -4.806 1.00 0.00 O ATOM 412 O5' DG B 6 8.522 -4.749 -2.538 1.00 0.00 O ATOM 413 C5' DG B 6 7.385 -5.256 -1.880 1.00 0.00 C ATOM 414 C4' DG B 6 7.464 -6.399 -0.890 1.00 0.00 C ATOM 415 O4' DG B 6 6.124 -6.785 -0.640 1.00 0.00 O ATOM 416 C3' DG B 6 8.215 -7.574 -1.478 1.00 0.00 C ATOM 417 O3' DG B 6 9.026 -8.074 -0.420 1.00 0.00 O ATOM 418 C2' DG B 6 7.049 -8.393 -2.048 1.00 0.00 C ATOM 419 C1' DG B 6 5.918 -8.118 -1.057 1.00 0.00 C ATOM 420 N9 DG B 6 4.518 -8.174 -1.553 1.00 0.00 N ATOM 421 C8 DG B 6 4.000 -8.263 -2.824 1.00 0.00 C ATOM 422 N7 DG B 6 2.697 -8.240 -2.879 1.00 0.00 N ATOM 423 C5 DG B 6 2.309 -8.092 -1.554 1.00 0.00 C ATOM 424 C6 DG B 6 1.011 -7.920 -0.985 1.00 0.00 C ATOM 425 O6 DG B 6 -0.071 -7.865 -1.566 1.00 0.00 O ATOM 426 N1 DG B 6 1.055 -7.803 0.402 1.00 0.00 N ATOM 427 C2 DG B 6 2.218 -7.799 1.151 1.00 0.00 C ATOM 428 N2 DG B 6 2.111 -7.688 2.478 1.00 0.00 N ATOM 429 N3 DG B 6 3.436 -7.906 0.609 1.00 0.00 N ATOM 430 C4 DG B 6 3.416 -8.054 -0.740 1.00 0.00 C ATOM 0 H5' DG B 6 6.685 -5.563 -2.657 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.929 -4.418 -1.354 1.00 0.00 H new ATOM 0 H4' DG B 6 7.988 -6.092 0.015 1.00 0.00 H new ATOM 0 H3' DG B 6 8.941 -7.459 -2.283 1.00 0.00 H new ATOM 0 H2' DG B 6 6.788 -8.075 -3.057 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.290 -9.455 -2.101 1.00 0.00 H new ATOM 0 H1' DG B 6 5.979 -8.909 -0.310 1.00 0.00 H new ATOM 0 H8 DG B 6 4.621 -8.345 -3.704 1.00 0.00 H new ATOM 0 H1 DG B 6 0.169 -7.714 0.900 1.00 0.00 H new ATOM 0 H21 DG B 6 2.950 -7.682 3.059 1.00 0.00 H new ATOM 0 H22 DG B 6 1.191 -7.609 2.911 1.00 0.00 H new ATOM 442 P DC B 7 9.274 -9.625 -0.045 1.00 0.00 P ATOM 443 OP1 DC B 7 10.478 -9.691 0.812 1.00 0.00 O ATOM 444 OP2 DC B 7 9.202 -10.456 -1.266 1.00 0.00 O ATOM 445 O5' DC B 7 7.991 -9.927 0.883 1.00 0.00 O ATOM 446 C5' DC B 7 7.745 -9.167 2.056 1.00 0.00 C ATOM 447 C4' DC B 7 6.535 -9.698 2.833 1.00 0.00 C ATOM 448 O4' DC B 7 5.395 -9.623 1.981 1.00 0.00 O ATOM 449 C3' DC B 7 6.727 -11.169 3.235 1.00 0.00 C ATOM 450 O3' DC B 7 6.185 -11.348 4.539 1.00 0.00 O ATOM 451 C2' DC B 7 5.897 -11.835 2.139 1.00 0.00 C ATOM 452 C1' DC B 7 4.728 -10.863 2.060 1.00 0.00 C ATOM 453 N1 DC B 7 3.771 -11.082 0.928 1.00 0.00 N ATOM 454 C2 DC B 7 2.396 -10.976 1.189 1.00 0.00 C ATOM 455 O2 DC B 7 1.962 -10.808 2.327 1.00 0.00 O ATOM 456 N3 DC B 7 1.518 -11.060 0.148 1.00 0.00 N ATOM 457 C4 DC B 7 1.942 -11.293 -1.100 1.00 0.00 C ATOM 458 N4 DC B 7 1.042 -11.336 -2.086 1.00 0.00 N ATOM 459 C5 DC B 7 3.336 -11.480 -1.385 1.00 0.00 C ATOM 460 C6 DC B 7 4.200 -11.371 -0.350 1.00 0.00 C ATOM 0 H5' DC B 7 7.575 -8.125 1.785 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.627 -9.190 2.696 1.00 0.00 H new ATOM 0 H4' DC B 7 6.412 -9.100 3.736 1.00 0.00 H new ATOM 0 H3' DC B 7 7.745 -11.553 3.296 1.00 0.00 H new ATOM 0 H2' DC B 7 6.438 -11.912 1.196 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.583 -12.843 2.410 1.00 0.00 H new ATOM 0 H1' DC B 7 4.054 -10.969 2.910 1.00 0.00 H new ATOM 0 H41 DC B 7 1.343 -11.512 -3.044 1.00 0.00 H new ATOM 0 H42 DC B 7 0.053 -11.193 -1.881 1.00 0.00 H new ATOM 0 H5 DC B 7 3.681 -11.699 -2.385 1.00 0.00 H new ATOM 0 H6 DC B 7 5.255 -11.514 -0.530 1.00 0.00 H new ATOM 472 P DG B 8 6.328 -12.729 5.375 1.00 0.00 P ATOM 473 OP1 DG B 8 7.237 -12.480 6.516 1.00 0.00 O ATOM 474 OP2 DG B 8 6.617 -13.834 4.434 1.00 0.00 O ATOM 475 O5' DG B 8 4.832 -12.942 5.957 1.00 0.00 O ATOM 476 C5' DG B 8 3.710 -12.837 5.105 1.00 0.00 C ATOM 477 C4' DG B 8 2.725 -13.975 5.224 1.00 0.00 C ATOM 478 O4' DG B 8 1.860 -13.615 4.179 1.00 0.00 O ATOM 479 C3' DG B 8 3.241 -15.359 4.848 1.00 0.00 C ATOM 480 O3' DG B 8 3.592 -16.114 5.989 1.00 0.00 O ATOM 481 C2' DG B 8 2.015 -15.953 4.149 1.00 0.00 C ATOM 482 C1' DG B 8 1.119 -14.741 3.852 1.00 0.00 C ATOM 483 N9 DG B 8 0.840 -14.567 2.412 1.00 0.00 N ATOM 484 C8 DG B 8 1.755 -14.453 1.395 1.00 0.00 C ATOM 485 N7 DG B 8 1.235 -14.196 0.231 1.00 0.00 N ATOM 486 C5 DG B 8 -0.127 -14.122 0.492 1.00 0.00 C ATOM 487 C6 DG B 8 -1.205 -13.826 -0.391 1.00 0.00 C ATOM 488 O6 DG B 8 -1.144 -13.557 -1.587 1.00 0.00 O ATOM 489 N1 DG B 8 -2.440 -13.863 0.248 1.00 0.00 N ATOM 490 C2 DG B 8 -2.621 -14.139 1.591 1.00 0.00 C ATOM 491 N2 DG B 8 -3.877 -14.118 2.051 1.00 0.00 N ATOM 492 N3 DG B 8 -1.603 -14.390 2.432 1.00 0.00 N ATOM 493 C4 DG B 8 -0.385 -14.366 1.821 1.00 0.00 C ATOM 0 H5' DG B 8 4.057 -12.780 4.073 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.193 -11.902 5.320 1.00 0.00 H new ATOM 0 H4' DG B 8 2.366 -14.073 6.249 1.00 0.00 H new ATOM 0 H3' DG B 8 4.146 -15.344 4.241 1.00 0.00 H new ATOM 0 H2' DG B 8 2.294 -16.475 3.233 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.506 -16.677 4.786 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.917 -16.996 5.711 1.00 0.00 H new ATOM 0 H1' DG B 8 0.187 -14.882 4.400 1.00 0.00 H new ATOM 0 H8 DG B 8 2.818 -14.567 1.549 1.00 0.00 H new ATOM 0 H1 DG B 8 -3.270 -13.673 -0.313 1.00 0.00 H new ATOM 0 H21 DG B 8 -4.063 -14.315 3.034 1.00 0.00 H new ATOM 0 H22 DG B 8 -4.648 -13.905 1.418 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.566 -3.669 4.231 1.00 0.00 C HETATM 508 C2 TOT A 9 -5.961 -3.786 4.281 1.00 0.00 C HETATM 509 C3 TOT A 9 -6.683 -3.935 3.090 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.006 -3.949 1.860 1.00 0.00 C HETATM 511 N5 TOT A 9 -3.801 -3.861 0.659 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.324 -3.730 -0.722 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.500 -3.990 1.028 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.445 -4.234 0.031 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.226 -3.854 2.651 1.00 0.00 S HETATM 516 C10 TOT A 9 -3.883 -3.772 2.998 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.593 -3.871 1.797 1.00 0.00 C HETATM 518 C12 TOT A 9 2.231 -4.659 -0.818 1.00 0.00 C HETATM 519 C13 TOT A 9 3.076 -4.917 -1.923 1.00 0.00 C HETATM 520 C14 TOT A 9 2.511 -5.178 -3.169 1.00 0.00 C HETATM 521 C15 TOT A 9 1.185 -4.833 -3.418 1.00 0.00 C HETATM 522 C16 TOT A 9 0.336 -4.509 -2.347 1.00 0.00 C HETATM 523 C17 TOT A 9 0.821 -4.544 -1.013 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.043 -4.476 0.129 1.00 0.00 C HETATM 525 C19 TOT A 9 0.552 -4.669 1.388 1.00 0.00 C HETATM 526 C20 TOT A 9 1.929 -4.601 1.537 1.00 0.00 C HETATM 527 N21 TOT A 9 2.754 -4.545 0.469 1.00 0.00 N HETATM 528 C22 TOT A 9 4.152 -4.422 0.918 1.00 0.00 C HETATM 529 C23 TOT A 9 5.080 -3.297 0.467 1.00 0.00 C HETATM 530 C24 TOT A 9 6.299 -3.261 1.420 1.00 0.00 C HETATM 531 N25 TOT A 9 7.134 -2.027 1.377 1.00 0.00 N HETATM 532 C26 TOT A 9 6.280 -0.839 1.680 1.00 0.00 C HETATM 533 C27 TOT A 9 7.035 0.415 2.154 1.00 0.00 C HETATM 534 C28 TOT A 9 7.775 -1.897 0.049 1.00 0.00 C HETATM 535 C29 TOT A 9 8.208 -2.191 2.391 1.00 0.00 C HETATM 536 C31 TOT A 9 -1.619 4.710 -5.825 1.00 0.00 C HETATM 537 C32 TOT A 9 -2.754 4.762 -6.644 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.016 4.930 -6.061 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.138 4.987 -4.664 1.00 0.00 C HETATM 540 N35 TOT A 9 -2.975 4.946 -2.437 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.176 4.826 -1.572 1.00 0.00 C HETATM 542 C37 TOT A 9 -1.686 5.061 -2.019 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.368 5.199 -0.590 1.00 0.00 C HETATM 544 S39 TOT A 9 -0.556 5.038 -3.221 1.00 0.00 S HETATM 545 C40 TOT A 9 -1.738 4.872 -4.425 1.00 0.00 C HETATM 546 C41 TOT A 9 -2.999 4.952 -3.823 1.00 0.00 C HETATM 547 C42 TOT A 9 1.111 5.756 2.197 1.00 0.00 C HETATM 548 C43 TOT A 9 1.183 6.391 3.448 1.00 0.00 C HETATM 549 C44 TOT A 9 0.038 6.595 4.210 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.205 6.258 3.670 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.306 5.849 2.324 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.139 5.611 1.545 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.159 5.231 0.163 1.00 0.00 C HETATM 554 C49 TOT A 9 1.073 4.879 -0.436 1.00 0.00 C HETATM 555 C50 TOT A 9 2.262 4.883 0.301 1.00 0.00 C HETATM 556 N51 TOT A 9 2.272 5.283 1.605 1.00 0.00 N HETATM 557 C52 TOT A 9 3.574 5.187 2.297 1.00 0.00 C HETATM 558 C53 TOT A 9 4.412 3.931 2.012 1.00 0.00 C HETATM 559 C54 TOT A 9 5.506 3.829 3.080 1.00 0.00 C HETATM 560 N55 TOT A 9 6.601 2.860 2.785 1.00 0.00 N HETATM 561 C56 TOT A 9 6.020 1.554 2.355 1.00 0.00 C HETATM 562 C58 TOT A 9 7.381 2.710 4.041 1.00 0.00 C HETATM 563 C59 TOT A 9 7.497 3.414 1.736 1.00 0.00 C HETATM 0 H593 TOT A 9 6.924 3.596 0.827 1.00 0.00 H new HETATM 0 H592 TOT A 9 7.931 4.351 2.086 1.00 0.00 H new HETATM 0 H591 TOT A 9 8.295 2.701 1.525 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.786 3.678 4.335 1.00 0.00 H new HETATM 0 H582 TOT A 9 6.730 2.334 4.831 1.00 0.00 H new HETATM 0 H581 TOT A 9 8.199 2.008 3.880 1.00 0.00 H new HETATM 0 H562 TOT A 9 5.480 1.706 1.420 1.00 0.00 H new HETATM 0 H561 TOT A 9 5.288 1.239 3.099 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.946 4.816 3.220 1.00 0.00 H new HETATM 0 H541 TOT A 9 5.042 3.549 4.026 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.781 3.042 2.029 1.00 0.00 H new HETATM 0 H531 TOT A 9 4.856 3.988 1.018 1.00 0.00 H new HETATM 0 H522 TOT A 9 4.168 6.061 2.029 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.394 5.241 3.371 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.090 3.934 -0.952 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.254 5.706 -0.933 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.067 4.750 -2.195 1.00 0.00 H new HETATM 0 H293 TOT A 9 7.761 -2.318 3.377 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.807 -3.069 2.148 1.00 0.00 H new HETATM 0 H291 TOT A 9 8.845 -1.306 2.393 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.408 -2.765 -0.136 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.006 -1.837 -0.722 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.383 -0.993 0.026 1.00 0.00 H new HETATM 0 H272 TOT A 9 7.562 0.209 3.086 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.787 0.704 1.420 1.00 0.00 H new HETATM 0 H262 TOT A 9 5.712 -0.584 0.785 1.00 0.00 H new HETATM 0 H261 TOT A 9 5.558 -1.119 2.447 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.940 -3.396 2.440 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.937 -4.114 1.191 1.00 0.00 H new HETATM 0 H232 TOT A 9 5.406 -3.462 -0.560 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.555 -2.342 0.485 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.123 -4.380 2.007 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.646 -5.356 0.648 1.00 0.00 H new HETATM 0 H8 TOT A 9 -1.811 -4.229 -0.996 1.00 0.00 H new HETATM 0 H63 TOT A 9 -3.902 -2.840 -1.188 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.045 -4.610 -1.302 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.410 -3.644 -0.693 1.00 0.00 H new HETATM 0 H50 TOT A 9 3.190 4.563 -0.172 1.00 0.00 H new HETATM 0 H49 TOT A 9 1.096 4.600 -1.489 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.290 5.714 1.875 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.100 6.311 4.290 1.00 0.00 H new HETATM 0 H44 TOT A 9 0.110 7.012 5.215 1.00 0.00 H new HETATM 0 H43 TOT A 9 2.148 6.728 3.826 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.579 -4.021 0.936 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.257 5.299 0.033 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.130 5.060 -4.217 1.00 0.00 H new HETATM 0 H33 TOT A 9 -4.902 5.016 -6.691 1.00 0.00 H new HETATM 0 H32 TOT A 9 -2.656 4.672 -7.726 1.00 0.00 H new HETATM 0 H31 TOT A 9 -0.638 4.544 -6.269 1.00 0.00 H new HETATM 0 H3 TOT A 9 -7.768 -4.040 3.118 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.356 -4.593 2.540 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.480 -3.761 5.239 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.075 -4.874 2.256 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.700 -4.230 -2.541 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.807 -4.814 -4.440 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.107 -5.652 -3.949 1.00 0.00 H new HETATM 0 H13 TOT A 9 4.159 -4.912 -1.800 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.004 -3.497 5.149 1.00 0.00 H new