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 -36:sc= 0.00709 USER MOD Single : A 4 DT C7 :methyl 150:sc=-0.000315 (180deg=-0.000315) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot -33:sc= 0.00169 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 -8.615 -16.849 -4.690 1.00 0.00 O ATOM 2 C5' DC A 1 -8.806 -15.581 -4.098 1.00 0.00 C ATOM 3 C4' DC A 1 -8.510 -15.645 -2.595 1.00 0.00 C ATOM 4 O4' DC A 1 -7.137 -15.983 -2.450 1.00 0.00 O ATOM 5 C3' DC A 1 -8.742 -14.276 -1.938 1.00 0.00 C ATOM 6 O3' DC A 1 -9.610 -14.437 -0.834 1.00 0.00 O ATOM 7 C2' DC A 1 -7.333 -13.863 -1.531 1.00 0.00 C ATOM 8 C1' DC A 1 -6.541 -15.154 -1.469 1.00 0.00 C ATOM 9 N1 DC A 1 -5.133 -14.852 -1.853 1.00 0.00 N ATOM 10 C2 DC A 1 -4.234 -14.488 -0.846 1.00 0.00 C ATOM 11 O2 DC A 1 -4.518 -14.616 0.343 1.00 0.00 O ATOM 12 N3 DC A 1 -3.021 -13.981 -1.209 1.00 0.00 N ATOM 13 C4 DC A 1 -2.694 -13.809 -2.499 1.00 0.00 C ATOM 14 N4 DC A 1 -1.510 -13.269 -2.801 1.00 0.00 N ATOM 15 C5 DC A 1 -3.601 -14.169 -3.550 1.00 0.00 C ATOM 16 C6 DC A 1 -4.797 -14.680 -3.178 1.00 0.00 C ATOM 0 H5' DC A 1 -9.831 -15.247 -4.260 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.154 -14.848 -4.573 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.164 -16.377 -2.121 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.214 -13.526 -2.572 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.901 -13.171 -2.254 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.335 -13.356 -0.566 1.00 0.00 H new ATOM 0 HO5' DC A 1 -7.863 -17.303 -4.256 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.542 -15.620 -0.484 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.246 -13.131 -3.777 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.870 -12.994 -2.056 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.341 -14.038 -4.590 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.508 -14.961 -3.941 1.00 0.00 H new ATOM 29 P DG A 2 -10.169 -13.175 0.003 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.253 -13.658 0.888 1.00 0.00 O ATOM 31 OP2 DG A 2 -10.429 -12.057 -0.931 1.00 0.00 O ATOM 32 O5' DG A 2 -8.906 -12.785 0.922 1.00 0.00 O ATOM 33 C5' DG A 2 -8.248 -13.760 1.710 1.00 0.00 C ATOM 34 C4' DG A 2 -7.434 -13.115 2.842 1.00 0.00 C ATOM 35 O4' DG A 2 -6.140 -12.863 2.319 1.00 0.00 O ATOM 36 C3' DG A 2 -8.004 -11.776 3.328 1.00 0.00 C ATOM 37 O3' DG A 2 -7.784 -11.691 4.728 1.00 0.00 O ATOM 38 C2' DG A 2 -7.147 -10.793 2.533 1.00 0.00 C ATOM 39 C1' DG A 2 -5.796 -11.511 2.545 1.00 0.00 C ATOM 40 N9 DG A 2 -4.863 -11.171 1.434 1.00 0.00 N ATOM 41 C8 DG A 2 -5.129 -10.949 0.099 1.00 0.00 C ATOM 42 N7 DG A 2 -4.069 -10.838 -0.650 1.00 0.00 N ATOM 43 C5 DG A 2 -3.013 -10.974 0.241 1.00 0.00 C ATOM 44 C6 DG A 2 -1.606 -10.926 0.007 1.00 0.00 C ATOM 45 O6 DG A 2 -1.015 -10.873 -1.068 1.00 0.00 O ATOM 46 N1 DG A 2 -0.871 -10.945 1.187 1.00 0.00 N ATOM 47 C2 DG A 2 -1.419 -11.097 2.445 1.00 0.00 C ATOM 48 N2 DG A 2 -0.576 -11.054 3.482 1.00 0.00 N ATOM 49 N3 DG A 2 -2.738 -11.245 2.657 1.00 0.00 N ATOM 50 C4 DG A 2 -3.485 -11.153 1.521 1.00 0.00 C ATOM 0 H5' DG A 2 -7.587 -14.354 1.079 1.00 0.00 H new ATOM 0 H5'' DG A 2 -8.984 -14.444 2.134 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.446 -13.796 3.693 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.071 -11.610 3.182 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.524 -10.640 1.522 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.097 -9.812 3.006 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.288 -11.248 3.473 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.133 -10.873 -0.293 1.00 0.00 H new ATOM 0 H1 DG A 2 0.141 -10.840 1.119 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.931 -11.161 4.432 1.00 0.00 H new ATOM 0 H22 DG A 2 0.422 -10.914 3.323 1.00 0.00 H new ATOM 62 P DC A 3 -8.120 -10.366 5.594 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.377 -10.784 6.990 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.131 -9.564 4.868 1.00 0.00 O ATOM 65 O5' DC A 3 -6.716 -9.570 5.555 1.00 0.00 O ATOM 66 C5' DC A 3 -5.569 -10.097 6.195 1.00 0.00 C ATOM 67 C4' DC A 3 -4.325 -9.235 5.954 1.00 0.00 C ATOM 68 O4' DC A 3 -4.009 -9.406 4.593 1.00 0.00 O ATOM 69 C3' DC A 3 -4.485 -7.716 6.161 1.00 0.00 C ATOM 70 O3' DC A 3 -3.860 -7.283 7.356 1.00 0.00 O ATOM 71 C2' DC A 3 -3.817 -7.134 4.913 1.00 0.00 C ATOM 72 C1' DC A 3 -3.149 -8.347 4.282 1.00 0.00 C ATOM 73 N1 DC A 3 -3.072 -8.172 2.824 1.00 0.00 N ATOM 74 C2 DC A 3 -1.850 -7.861 2.235 1.00 0.00 C ATOM 75 O2 DC A 3 -0.814 -7.842 2.892 1.00 0.00 O ATOM 76 N3 DC A 3 -1.833 -7.578 0.902 1.00 0.00 N ATOM 77 C4 DC A 3 -2.962 -7.528 0.184 1.00 0.00 C ATOM 78 N4 DC A 3 -2.855 -7.399 -1.142 1.00 0.00 N ATOM 79 C5 DC A 3 -4.234 -7.725 0.823 1.00 0.00 C ATOM 80 C6 DC A 3 -4.227 -8.080 2.111 1.00 0.00 C ATOM 0 H5' DC A 3 -5.384 -11.108 5.832 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.755 -10.172 7.266 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.581 -9.560 6.681 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.522 -7.400 6.273 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.545 -6.679 4.241 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.092 -6.361 5.167 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.133 -8.509 4.642 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.695 -7.358 -1.720 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.934 -7.342 -1.576 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.160 -7.591 0.283 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.165 -8.300 2.600 1.00 0.00 H new ATOM 92 P DT A 4 -4.242 -5.879 8.070 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.767 -5.957 9.469 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.668 -5.586 7.805 1.00 0.00 O ATOM 95 O5' DT A 4 -3.366 -4.742 7.328 1.00 0.00 O ATOM 96 C5' DT A 4 -3.457 -3.392 7.752 1.00 0.00 C ATOM 97 C4' DT A 4 -2.435 -2.503 7.037 1.00 0.00 C ATOM 98 O4' DT A 4 -2.815 -2.432 5.682 1.00 0.00 O ATOM 99 C3' DT A 4 -2.459 -1.059 7.564 1.00 0.00 C ATOM 100 O3' DT A 4 -1.261 -0.794 8.274 1.00 0.00 O ATOM 101 C2' DT A 4 -2.597 -0.204 6.299 1.00 0.00 C ATOM 102 C1' DT A 4 -2.325 -1.209 5.186 1.00 0.00 C ATOM 103 N1 DT A 4 -3.065 -0.916 3.932 1.00 0.00 N ATOM 104 C2 DT A 4 -2.323 -0.678 2.781 1.00 0.00 C ATOM 105 O2 DT A 4 -1.098 -0.588 2.776 1.00 0.00 O ATOM 106 N3 DT A 4 -3.046 -0.543 1.608 1.00 0.00 N ATOM 107 C4 DT A 4 -4.425 -0.603 1.478 1.00 0.00 C ATOM 108 O4 DT A 4 -4.945 -0.482 0.371 1.00 0.00 O ATOM 109 C5 DT A 4 -5.130 -0.811 2.725 1.00 0.00 C ATOM 110 C7 DT A 4 -6.645 -0.867 2.726 1.00 0.00 C ATOM 111 C6 DT A 4 -4.442 -0.958 3.885 1.00 0.00 C ATOM 0 H5' DT A 4 -3.297 -3.337 8.829 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.462 -3.017 7.560 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.444 -2.929 7.195 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.269 -0.855 8.265 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.591 0.236 6.214 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.882 0.619 6.286 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.263 -1.197 4.939 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.511 -0.384 0.754 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.985 -1.517 3.533 1.00 0.00 H new ATOM 0 H72 DT A 4 -7.046 0.136 2.874 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.995 -1.260 1.772 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.991 -1.113 4.802 1.00 0.00 H new ATOM 124 P DA A 5 -1.001 0.612 9.030 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.127 0.349 10.195 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.304 1.285 9.232 1.00 0.00 O ATOM 127 O5' DA A 5 -0.163 1.472 7.951 1.00 0.00 O ATOM 128 C5' DA A 5 1.202 1.207 7.693 1.00 0.00 C ATOM 129 C4' DA A 5 1.898 2.160 6.734 1.00 0.00 C ATOM 130 O4' DA A 5 1.285 2.023 5.457 1.00 0.00 O ATOM 131 C3' DA A 5 1.672 3.564 7.274 1.00 0.00 C ATOM 132 O3' DA A 5 2.717 4.451 6.952 1.00 0.00 O ATOM 133 C2' DA A 5 0.455 3.907 6.454 1.00 0.00 C ATOM 134 C1' DA A 5 0.719 3.265 5.094 1.00 0.00 C ATOM 135 N9 DA A 5 -0.524 2.988 4.323 1.00 0.00 N ATOM 136 C8 DA A 5 -1.853 3.126 4.666 1.00 0.00 C ATOM 137 N7 DA A 5 -2.687 2.949 3.679 1.00 0.00 N ATOM 138 C5 DA A 5 -1.863 2.635 2.610 1.00 0.00 C ATOM 139 C6 DA A 5 -2.108 2.367 1.247 1.00 0.00 C ATOM 140 N6 DA A 5 -3.322 2.430 0.686 1.00 0.00 N ATOM 141 N1 DA A 5 -1.065 2.023 0.474 1.00 0.00 N ATOM 142 C2 DA A 5 0.153 1.971 1.005 1.00 0.00 C ATOM 143 N3 DA A 5 0.518 2.243 2.250 1.00 0.00 N ATOM 144 C4 DA A 5 -0.552 2.581 3.014 1.00 0.00 C ATOM 0 H5' DA A 5 1.286 0.196 7.294 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.740 1.221 8.641 1.00 0.00 H new ATOM 0 H4' DA A 5 2.965 1.954 6.643 1.00 0.00 H new ATOM 0 H3' DA A 5 1.592 3.627 8.359 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.454 3.514 6.909 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.327 4.986 6.366 1.00 0.00 H new ATOM 0 H1' DA A 5 1.328 3.912 4.462 1.00 0.00 H new ATOM 0 H8 DA A 5 -2.176 3.361 5.669 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.436 2.225 -0.307 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.132 2.683 1.251 1.00 0.00 H new ATOM 0 H2 DA A 5 0.946 1.669 0.337 1.00 0.00 H new ATOM 156 P DG A 6 4.162 4.476 7.697 1.00 0.00 P ATOM 157 OP1 DG A 6 4.937 3.294 7.257 1.00 0.00 O ATOM 158 OP2 DG A 6 3.958 4.745 9.137 1.00 0.00 O ATOM 159 O5' DG A 6 4.810 5.791 7.002 1.00 0.00 O ATOM 160 C5' DG A 6 4.251 6.220 5.781 1.00 0.00 C ATOM 161 C4' DG A 6 5.006 7.204 4.894 1.00 0.00 C ATOM 162 O4' DG A 6 4.026 7.592 3.955 1.00 0.00 O ATOM 163 C3' DG A 6 5.401 8.453 5.681 1.00 0.00 C ATOM 164 O3' DG A 6 6.356 9.304 5.069 1.00 0.00 O ATOM 165 C2' DG A 6 4.105 9.242 5.633 1.00 0.00 C ATOM 166 C1' DG A 6 3.717 8.947 4.184 1.00 0.00 C ATOM 167 N9 DG A 6 2.304 9.184 3.832 1.00 0.00 N ATOM 168 C8 DG A 6 1.232 9.549 4.608 1.00 0.00 C ATOM 169 N7 DG A 6 0.108 9.634 3.951 1.00 0.00 N ATOM 170 C5 DG A 6 0.449 9.270 2.652 1.00 0.00 C ATOM 171 C6 DG A 6 -0.371 9.046 1.505 1.00 0.00 C ATOM 172 O6 DG A 6 -1.586 9.190 1.399 1.00 0.00 O ATOM 173 N1 DG A 6 0.367 8.603 0.410 1.00 0.00 N ATOM 174 C2 DG A 6 1.724 8.350 0.422 1.00 0.00 C ATOM 175 N2 DG A 6 2.286 7.900 -0.703 1.00 0.00 N ATOM 176 N3 DG A 6 2.487 8.525 1.506 1.00 0.00 N ATOM 177 C4 DG A 6 1.792 8.989 2.578 1.00 0.00 C ATOM 0 H5' DG A 6 3.283 6.667 6.008 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.058 5.329 5.183 1.00 0.00 H new ATOM 0 H4' DG A 6 5.913 6.769 4.474 1.00 0.00 H new ATOM 0 H3' DG A 6 5.830 8.157 6.638 1.00 0.00 H new ATOM 0 H2' DG A 6 3.366 8.886 6.350 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.249 10.305 5.825 1.00 0.00 H new ATOM 0 H1' DG A 6 4.273 9.645 3.557 1.00 0.00 H new ATOM 0 H8 DG A 6 1.312 9.748 5.667 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.133 8.454 -0.467 1.00 0.00 H new ATOM 0 H21 DG A 6 3.286 7.703 -0.730 1.00 0.00 H new ATOM 0 H22 DG A 6 1.715 7.754 -1.535 1.00 0.00 H new ATOM 189 P DC A 7 7.859 8.891 4.663 1.00 0.00 P ATOM 190 OP1 DC A 7 8.033 7.424 4.745 1.00 0.00 O ATOM 191 OP2 DC A 7 8.793 9.788 5.378 1.00 0.00 O ATOM 192 O5' DC A 7 7.810 9.336 3.113 1.00 0.00 O ATOM 193 C5' DC A 7 7.355 8.469 2.091 1.00 0.00 C ATOM 194 C4' DC A 7 6.745 9.251 0.918 1.00 0.00 C ATOM 195 O4' DC A 7 5.412 9.615 1.269 1.00 0.00 O ATOM 196 C3' DC A 7 7.490 10.555 0.568 1.00 0.00 C ATOM 197 O3' DC A 7 7.666 10.589 -0.845 1.00 0.00 O ATOM 198 C2' DC A 7 6.478 11.595 1.069 1.00 0.00 C ATOM 199 C1' DC A 7 5.183 10.883 0.699 1.00 0.00 C ATOM 200 N1 DC A 7 3.897 11.500 1.162 1.00 0.00 N ATOM 201 C2 DC A 7 2.792 11.420 0.299 1.00 0.00 C ATOM 202 O2 DC A 7 2.890 10.990 -0.849 1.00 0.00 O ATOM 203 N3 DC A 7 1.574 11.830 0.747 1.00 0.00 N ATOM 204 C4 DC A 7 1.425 12.365 1.964 1.00 0.00 C ATOM 205 N4 DC A 7 0.198 12.730 2.348 1.00 0.00 N ATOM 206 C5 DC A 7 2.554 12.563 2.828 1.00 0.00 C ATOM 207 C6 DC A 7 3.759 12.122 2.388 1.00 0.00 C ATOM 0 H5' DC A 7 6.612 7.784 2.498 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.186 7.861 1.732 1.00 0.00 H new ATOM 0 H4' DC A 7 6.806 8.595 0.050 1.00 0.00 H new ATOM 0 H3' DC A 7 8.483 10.696 0.996 1.00 0.00 H new ATOM 0 H2' DC A 7 6.563 11.780 2.140 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.584 12.558 0.569 1.00 0.00 H new ATOM 0 H1' DC A 7 5.009 10.907 -0.377 1.00 0.00 H new ATOM 0 H41 DC A 7 0.053 13.141 3.270 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.594 12.598 1.719 1.00 0.00 H new ATOM 0 H5 DC A 7 2.448 13.044 3.789 1.00 0.00 H new ATOM 0 H6 DC A 7 4.631 12.260 3.010 1.00 0.00 H new ATOM 219 P DG A 8 8.510 11.744 -1.610 1.00 0.00 P ATOM 220 OP1 DG A 8 9.718 11.117 -2.190 1.00 0.00 O ATOM 221 OP2 DG A 8 8.651 12.912 -0.713 1.00 0.00 O ATOM 222 O5' DG A 8 7.525 12.160 -2.826 1.00 0.00 O ATOM 223 C5' DG A 8 6.143 12.354 -2.602 1.00 0.00 C ATOM 224 C4' DG A 8 5.575 13.596 -3.246 1.00 0.00 C ATOM 225 O4' DG A 8 4.256 13.524 -2.768 1.00 0.00 O ATOM 226 C3' DG A 8 6.100 14.922 -2.711 1.00 0.00 C ATOM 227 O3' DG A 8 7.135 15.442 -3.517 1.00 0.00 O ATOM 228 C2' DG A 8 4.842 15.789 -2.796 1.00 0.00 C ATOM 229 C1' DG A 8 3.697 14.780 -2.961 1.00 0.00 C ATOM 230 N9 DG A 8 2.683 14.904 -1.895 1.00 0.00 N ATOM 231 C8 DG A 8 2.884 14.819 -0.542 1.00 0.00 C ATOM 232 N7 DG A 8 1.797 14.929 0.167 1.00 0.00 N ATOM 233 C5 DG A 8 0.797 15.086 -0.785 1.00 0.00 C ATOM 234 C6 DG A 8 -0.611 15.237 -0.615 1.00 0.00 C ATOM 235 O6 DG A 8 -1.252 15.221 0.433 1.00 0.00 O ATOM 236 N1 DG A 8 -1.275 15.421 -1.825 1.00 0.00 N ATOM 237 C2 DG A 8 -0.661 15.415 -3.064 1.00 0.00 C ATOM 238 N2 DG A 8 -1.445 15.581 -4.134 1.00 0.00 N ATOM 239 N3 DG A 8 0.662 15.249 -3.228 1.00 0.00 N ATOM 240 C4 DG A 8 1.332 15.095 -2.053 1.00 0.00 C ATOM 0 H5' DG A 8 5.965 12.403 -1.528 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.601 11.485 -2.976 1.00 0.00 H new ATOM 0 H4' DG A 8 5.784 13.599 -4.316 1.00 0.00 H new ATOM 0 H3' DG A 8 6.541 14.856 -1.716 1.00 0.00 H new ATOM 0 H2' DG A 8 4.714 16.393 -1.898 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.890 16.478 -3.639 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.445 16.293 -3.143 1.00 0.00 H new ATOM 0 H1' DG A 8 3.233 14.944 -3.934 1.00 0.00 H new ATOM 0 H8 DG A 8 3.859 14.673 -0.102 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.284 15.570 -1.795 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.038 15.584 -5.069 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.450 15.705 -4.015 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -10.555 18.712 -2.306 1.00 0.00 O ATOM 255 C5' DC B 1 -10.181 17.358 -2.454 1.00 0.00 C ATOM 256 C4' DC B 1 -9.040 17.227 -3.470 1.00 0.00 C ATOM 257 O4' DC B 1 -7.911 17.903 -2.937 1.00 0.00 O ATOM 258 C3' DC B 1 -8.650 15.758 -3.685 1.00 0.00 C ATOM 259 O3' DC B 1 -8.667 15.496 -5.075 1.00 0.00 O ATOM 260 C2' DC B 1 -7.250 15.685 -3.086 1.00 0.00 C ATOM 261 C1' DC B 1 -6.754 17.117 -3.151 1.00 0.00 C ATOM 262 N1 DC B 1 -5.789 17.328 -2.040 1.00 0.00 N ATOM 263 C2 DC B 1 -4.447 17.022 -2.270 1.00 0.00 C ATOM 264 O2 DC B 1 -4.046 16.721 -3.393 1.00 0.00 O ATOM 265 N3 DC B 1 -3.581 17.062 -1.217 1.00 0.00 N ATOM 266 C4 DC B 1 -4.004 17.359 0.021 1.00 0.00 C ATOM 267 N4 DC B 1 -3.117 17.344 1.021 1.00 0.00 N ATOM 268 C5 DC B 1 -5.389 17.619 0.292 1.00 0.00 C ATOM 269 C6 DC B 1 -6.236 17.583 -0.764 1.00 0.00 C ATOM 0 H5' DC B 1 -11.039 16.771 -2.783 1.00 0.00 H new ATOM 0 H5'' DC B 1 -9.868 16.953 -1.492 1.00 0.00 H new ATOM 0 H4' DC B 1 -9.364 17.646 -4.423 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.312 15.023 -3.228 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.272 15.315 -2.061 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.607 15.013 -3.653 1.00 0.00 H new ATOM 0 HO5' DC B 1 -9.767 19.283 -2.421 1.00 0.00 H new ATOM 0 H1' DC B 1 -6.259 17.363 -4.091 1.00 0.00 H new ATOM 0 H41 DC B 1 -3.415 17.566 1.971 1.00 0.00 H new ATOM 0 H42 DC B 1 -2.142 17.110 0.834 1.00 0.00 H new ATOM 0 H5 DC B 1 -5.739 17.833 1.291 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.289 17.759 -0.600 1.00 0.00 H new ATOM 282 P DG B 2 -8.409 14.023 -5.679 1.00 0.00 P ATOM 283 OP1 DG B 2 -8.826 14.035 -7.099 1.00 0.00 O ATOM 284 OP2 DG B 2 -8.983 13.021 -4.754 1.00 0.00 O ATOM 285 O5' DG B 2 -6.805 13.896 -5.631 1.00 0.00 O ATOM 286 C5' DG B 2 -5.964 14.897 -6.171 1.00 0.00 C ATOM 287 C4' DG B 2 -4.654 14.293 -6.702 1.00 0.00 C ATOM 288 O4' DG B 2 -3.812 14.085 -5.579 1.00 0.00 O ATOM 289 C3' DG B 2 -4.842 12.940 -7.395 1.00 0.00 C ATOM 290 O3' DG B 2 -3.850 12.814 -8.405 1.00 0.00 O ATOM 291 C2' DG B 2 -4.596 11.991 -6.229 1.00 0.00 C ATOM 292 C1' DG B 2 -3.468 12.715 -5.489 1.00 0.00 C ATOM 293 N9 DG B 2 -3.389 12.437 -4.029 1.00 0.00 N ATOM 294 C8 DG B 2 -4.406 12.395 -3.100 1.00 0.00 C ATOM 295 N7 DG B 2 -4.004 12.229 -1.871 1.00 0.00 N ATOM 296 C5 DG B 2 -2.621 12.161 -1.975 1.00 0.00 C ATOM 297 C6 DG B 2 -1.633 11.997 -0.956 1.00 0.00 C ATOM 298 O6 DG B 2 -1.799 11.909 0.257 1.00 0.00 O ATOM 299 N1 DG B 2 -0.342 11.939 -1.473 1.00 0.00 N ATOM 300 C2 DG B 2 -0.030 12.078 -2.811 1.00 0.00 C ATOM 301 N2 DG B 2 1.261 11.980 -3.145 1.00 0.00 N ATOM 302 N3 DG B 2 -0.955 12.282 -3.763 1.00 0.00 N ATOM 303 C4 DG B 2 -2.232 12.299 -3.288 1.00 0.00 C ATOM 0 H5' DG B 2 -5.741 15.641 -5.406 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.482 15.415 -6.978 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.242 14.981 -7.441 1.00 0.00 H new ATOM 0 H3' DG B 2 -5.799 12.773 -7.889 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.482 11.865 -5.607 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.298 10.997 -6.563 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.523 12.401 -5.932 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.448 12.491 -3.367 1.00 0.00 H new ATOM 0 H1 DG B 2 0.425 11.783 -0.819 1.00 0.00 H new ATOM 0 H21 DG B 2 1.544 12.075 -4.120 1.00 0.00 H new ATOM 0 H22 DG B 2 1.963 11.810 -2.424 1.00 0.00 H new ATOM 315 P DC B 3 -3.640 11.463 -9.275 1.00 0.00 P ATOM 316 OP1 DC B 3 -2.990 11.841 -10.550 1.00 0.00 O ATOM 317 OP2 DC B 3 -4.916 10.714 -9.299 1.00 0.00 O ATOM 318 O5' DC B 3 -2.574 10.619 -8.399 1.00 0.00 O ATOM 319 C5' DC B 3 -1.236 11.060 -8.256 1.00 0.00 C ATOM 320 C4' DC B 3 -0.423 10.167 -7.310 1.00 0.00 C ATOM 321 O4' DC B 3 -0.963 10.396 -6.029 1.00 0.00 O ATOM 322 C3' DC B 3 -0.507 8.643 -7.535 1.00 0.00 C ATOM 323 O3' DC B 3 0.675 8.116 -8.115 1.00 0.00 O ATOM 324 C2' DC B 3 -0.732 8.107 -6.120 1.00 0.00 C ATOM 325 C1' DC B 3 -0.509 9.330 -5.242 1.00 0.00 C ATOM 326 N1 DC B 3 -1.319 9.218 -4.019 1.00 0.00 N ATOM 327 C2 DC B 3 -0.707 8.857 -2.823 1.00 0.00 C ATOM 328 O2 DC B 3 0.513 8.757 -2.734 1.00 0.00 O ATOM 329 N3 DC B 3 -1.502 8.616 -1.742 1.00 0.00 N ATOM 330 C4 DC B 3 -2.836 8.643 -1.838 1.00 0.00 C ATOM 331 N4 DC B 3 -3.556 8.525 -0.719 1.00 0.00 N ATOM 332 C5 DC B 3 -3.465 8.875 -3.105 1.00 0.00 C ATOM 333 C6 DC B 3 -2.675 9.192 -4.134 1.00 0.00 C ATOM 0 H5' DC B 3 -1.232 12.083 -7.879 1.00 0.00 H new ATOM 0 H5'' DC B 3 -0.756 11.079 -9.235 1.00 0.00 H new ATOM 0 H4' DC B 3 0.623 10.430 -7.469 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.292 8.361 -8.237 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.737 7.702 -5.998 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.034 7.305 -5.878 1.00 0.00 H new ATOM 0 H1' DC B 3 0.528 9.450 -4.930 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.575 8.542 -0.764 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.087 8.417 0.180 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.536 8.797 -3.223 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.125 9.435 -5.085 1.00 0.00 H new ATOM 345 P DT B 4 0.721 6.638 -8.786 1.00 0.00 P ATOM 346 OP1 DT B 4 1.690 6.695 -9.903 1.00 0.00 O ATOM 347 OP2 DT B 4 -0.667 6.196 -9.054 1.00 0.00 O ATOM 348 O5' DT B 4 1.331 5.641 -7.669 1.00 0.00 O ATOM 349 C5' DT B 4 1.628 4.295 -8.010 1.00 0.00 C ATOM 350 C4' DT B 4 2.113 3.489 -6.800 1.00 0.00 C ATOM 351 O4' DT B 4 1.059 3.450 -5.862 1.00 0.00 O ATOM 352 C3' DT B 4 2.396 2.022 -7.170 1.00 0.00 C ATOM 353 O3' DT B 4 3.793 1.772 -7.173 1.00 0.00 O ATOM 354 C2' DT B 4 1.665 1.224 -6.085 1.00 0.00 C ATOM 355 C1' DT B 4 1.255 2.297 -5.079 1.00 0.00 C ATOM 356 N1 DT B 4 -0.030 2.018 -4.380 1.00 0.00 N ATOM 357 C2 DT B 4 -0.031 2.011 -2.988 1.00 0.00 C ATOM 358 O2 DT B 4 0.993 2.041 -2.310 1.00 0.00 O ATOM 359 N3 DT B 4 -1.275 1.968 -2.379 1.00 0.00 N ATOM 360 C4 DT B 4 -2.503 1.910 -3.015 1.00 0.00 C ATOM 361 O4 DT B 4 -3.536 1.918 -2.349 1.00 0.00 O ATOM 362 C5 DT B 4 -2.417 1.845 -4.461 1.00 0.00 C ATOM 363 C7 DT B 4 -3.687 1.732 -5.281 1.00 0.00 C ATOM 364 C6 DT B 4 -1.210 1.902 -5.083 1.00 0.00 C ATOM 0 H5' DT B 4 2.393 4.278 -8.787 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.739 3.822 -8.428 1.00 0.00 H new ATOM 0 H4' DT B 4 3.021 3.959 -6.423 1.00 0.00 H new ATOM 0 H3' DT B 4 2.054 1.751 -8.169 1.00 0.00 H new ATOM 0 H2' DT B 4 0.800 0.697 -6.487 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.313 0.474 -5.632 1.00 0.00 H new ATOM 0 H1' DT B 4 2.018 2.371 -4.304 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.287 1.980 -1.359 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.538 2.209 -6.250 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.933 0.680 -5.428 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.505 2.225 -4.755 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.174 1.855 -6.161 1.00 0.00 H new ATOM 377 P DA B 5 4.435 0.436 -7.836 1.00 0.00 P ATOM 378 OP1 DA B 5 5.880 0.686 -8.034 1.00 0.00 O ATOM 379 OP2 DA B 5 3.599 0.046 -8.993 1.00 0.00 O ATOM 380 O5' DA B 5 4.278 -0.708 -6.705 1.00 0.00 O ATOM 381 C5' DA B 5 5.185 -0.807 -5.620 1.00 0.00 C ATOM 382 C4' DA B 5 4.834 -1.804 -4.516 1.00 0.00 C ATOM 383 O4' DA B 5 3.812 -1.134 -3.737 1.00 0.00 O ATOM 384 C3' DA B 5 4.338 -3.081 -5.208 1.00 0.00 C ATOM 385 O3' DA B 5 4.685 -4.313 -4.620 1.00 0.00 O ATOM 386 C2' DA B 5 2.888 -2.781 -4.905 1.00 0.00 C ATOM 387 C1' DA B 5 2.713 -2.011 -3.621 1.00 0.00 C ATOM 388 N9 DA B 5 1.334 -1.441 -3.513 1.00 0.00 N ATOM 389 C8 DA B 5 0.287 -1.473 -4.424 1.00 0.00 C ATOM 390 N7 DA B 5 -0.896 -1.316 -3.911 1.00 0.00 N ATOM 391 C5 DA B 5 -0.640 -1.182 -2.563 1.00 0.00 C ATOM 392 C6 DA B 5 -1.493 -1.068 -1.455 1.00 0.00 C ATOM 393 N6 DA B 5 -2.824 -1.051 -1.584 1.00 0.00 N ATOM 394 N1 DA B 5 -0.939 -0.987 -0.234 1.00 0.00 N ATOM 395 C2 DA B 5 0.386 -1.013 -0.121 1.00 0.00 C ATOM 396 N3 DA B 5 1.296 -1.127 -1.083 1.00 0.00 N ATOM 397 C4 DA B 5 0.708 -1.215 -2.307 1.00 0.00 C ATOM 0 H5' DA B 5 5.282 0.180 -5.168 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.164 -1.073 -6.019 1.00 0.00 H new ATOM 0 H4' DA B 5 5.656 -2.095 -3.862 1.00 0.00 H new ATOM 0 H3' DA B 5 4.708 -3.229 -6.223 1.00 0.00 H new ATOM 0 H2' DA B 5 2.459 -2.210 -5.728 1.00 0.00 H new ATOM 0 H2'' DA B 5 2.332 -3.717 -4.842 1.00 0.00 H new ATOM 0 H1' DA B 5 2.742 -2.551 -2.675 1.00 0.00 H new ATOM 0 H8 DA B 5 0.445 -1.618 -5.483 1.00 0.00 H new ATOM 0 H61 DA B 5 -3.415 -0.967 -0.757 1.00 0.00 H new ATOM 0 H62 DA B 5 -3.248 -1.122 -2.509 1.00 0.00 H new ATOM 0 H2 DA B 5 0.773 -0.931 0.884 1.00 0.00 H new ATOM 409 P DG B 6 5.706 -5.374 -5.311 1.00 0.00 P ATOM 410 OP1 DG B 6 6.794 -4.617 -5.970 1.00 0.00 O ATOM 411 OP2 DG B 6 4.913 -6.359 -6.077 1.00 0.00 O ATOM 412 O5' DG B 6 6.324 -6.108 -4.008 1.00 0.00 O ATOM 413 C5' DG B 6 6.883 -5.297 -3.005 1.00 0.00 C ATOM 414 C4' DG B 6 7.153 -5.857 -1.629 1.00 0.00 C ATOM 415 O4' DG B 6 5.894 -6.209 -1.150 1.00 0.00 O ATOM 416 C3' DG B 6 8.045 -7.073 -1.763 1.00 0.00 C ATOM 417 O3' DG B 6 9.104 -7.242 -0.818 1.00 0.00 O ATOM 418 C2' DG B 6 7.068 -8.239 -1.769 1.00 0.00 C ATOM 419 C1' DG B 6 5.851 -7.603 -1.068 1.00 0.00 C ATOM 420 N9 DG B 6 4.523 -7.943 -1.593 1.00 0.00 N ATOM 421 C8 DG B 6 4.143 -8.151 -2.884 1.00 0.00 C ATOM 422 N7 DG B 6 2.864 -8.376 -3.034 1.00 0.00 N ATOM 423 C5 DG B 6 2.340 -8.170 -1.758 1.00 0.00 C ATOM 424 C6 DG B 6 0.984 -8.075 -1.307 1.00 0.00 C ATOM 425 O6 DG B 6 -0.053 -8.286 -1.933 1.00 0.00 O ATOM 426 N1 DG B 6 0.900 -7.682 0.027 1.00 0.00 N ATOM 427 C2 DG B 6 1.979 -7.339 0.817 1.00 0.00 C ATOM 428 N2 DG B 6 1.747 -6.953 2.074 1.00 0.00 N ATOM 429 N3 DG B 6 3.240 -7.391 0.384 1.00 0.00 N ATOM 430 C4 DG B 6 3.352 -7.819 -0.897 1.00 0.00 C ATOM 0 H5' DG B 6 6.222 -4.439 -2.879 1.00 0.00 H new ATOM 0 H5'' DG B 6 7.830 -4.917 -3.389 1.00 0.00 H new ATOM 0 H4' DG B 6 7.657 -5.159 -0.961 1.00 0.00 H new ATOM 0 H3' DG B 6 8.642 -6.974 -2.670 1.00 0.00 H new ATOM 0 H2' DG B 6 6.833 -8.576 -2.779 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.452 -9.103 -1.226 1.00 0.00 H new ATOM 0 H1' DG B 6 5.949 -8.011 -0.062 1.00 0.00 H new ATOM 0 H8 DG B 6 4.837 -8.132 -3.711 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.027 -7.645 0.451 1.00 0.00 H new ATOM 0 H21 DG B 6 2.526 -6.694 2.680 1.00 0.00 H new ATOM 0 H22 DG B 6 0.791 -6.917 2.428 1.00 0.00 H new ATOM 442 P DC B 7 9.101 -6.780 0.750 1.00 0.00 P ATOM 443 OP1 DC B 7 8.911 -5.313 0.808 1.00 0.00 O ATOM 444 OP2 DC B 7 10.316 -7.357 1.365 1.00 0.00 O ATOM 445 O5' DC B 7 7.837 -7.477 1.483 1.00 0.00 O ATOM 446 C5' DC B 7 7.190 -6.824 2.564 1.00 0.00 C ATOM 447 C4' DC B 7 6.146 -7.696 3.276 1.00 0.00 C ATOM 448 O4' DC B 7 5.207 -8.150 2.310 1.00 0.00 O ATOM 449 C3' DC B 7 6.728 -8.937 3.979 1.00 0.00 C ATOM 450 O3' DC B 7 6.135 -9.030 5.272 1.00 0.00 O ATOM 451 C2' DC B 7 6.243 -10.035 3.031 1.00 0.00 C ATOM 452 C1' DC B 7 4.872 -9.471 2.665 1.00 0.00 C ATOM 453 N1 DC B 7 4.109 -10.173 1.586 1.00 0.00 N ATOM 454 C2 DC B 7 2.718 -10.295 1.718 1.00 0.00 C ATOM 455 O2 DC B 7 2.133 -9.994 2.757 1.00 0.00 O ATOM 456 N3 DC B 7 1.998 -10.762 0.659 1.00 0.00 N ATOM 457 C4 DC B 7 2.597 -11.164 -0.468 1.00 0.00 C ATOM 458 N4 DC B 7 1.833 -11.560 -1.491 1.00 0.00 N ATOM 459 C5 DC B 7 4.026 -11.152 -0.590 1.00 0.00 C ATOM 460 C6 DC B 7 4.727 -10.651 0.454 1.00 0.00 C ATOM 0 H5' DC B 7 6.705 -5.921 2.193 1.00 0.00 H new ATOM 0 H5'' DC B 7 7.941 -6.508 3.288 1.00 0.00 H new ATOM 0 H4' DC B 7 5.699 -7.070 4.048 1.00 0.00 H new ATOM 0 H3' DC B 7 7.805 -8.959 4.143 1.00 0.00 H new ATOM 0 H2' DC B 7 6.891 -10.154 2.163 1.00 0.00 H new ATOM 0 H2'' DC B 7 6.178 -11.009 3.517 1.00 0.00 H new ATOM 0 H1' DC B 7 4.168 -9.583 3.490 1.00 0.00 H new ATOM 0 H41 DC B 7 2.266 -11.871 -2.361 1.00 0.00 H new ATOM 0 H42 DC B 7 0.817 -11.551 -1.402 1.00 0.00 H new ATOM 0 H5 DC B 7 4.520 -11.526 -1.475 1.00 0.00 H new ATOM 0 H6 DC B 7 5.805 -10.626 0.396 1.00 0.00 H new ATOM 472 P DG B 8 6.549 -10.151 6.371 1.00 0.00 P ATOM 473 OP1 DG B 8 7.213 -9.458 7.496 1.00 0.00 O ATOM 474 OP2 DG B 8 7.244 -11.263 5.685 1.00 0.00 O ATOM 475 O5' DG B 8 5.117 -10.704 6.898 1.00 0.00 O ATOM 476 C5' DG B 8 4.080 -11.012 5.987 1.00 0.00 C ATOM 477 C4' DG B 8 3.339 -12.298 6.271 1.00 0.00 C ATOM 478 O4' DG B 8 2.531 -12.340 5.123 1.00 0.00 O ATOM 479 C3' DG B 8 4.158 -13.581 6.222 1.00 0.00 C ATOM 480 O3' DG B 8 4.529 -14.013 7.513 1.00 0.00 O ATOM 481 C2' DG B 8 3.155 -14.547 5.586 1.00 0.00 C ATOM 482 C1' DG B 8 2.066 -13.641 4.991 1.00 0.00 C ATOM 483 N9 DG B 8 1.909 -13.815 3.530 1.00 0.00 N ATOM 484 C8 DG B 8 2.886 -13.693 2.574 1.00 0.00 C ATOM 485 N7 DG B 8 2.455 -13.791 1.351 1.00 0.00 N ATOM 486 C5 DG B 8 1.087 -13.975 1.500 1.00 0.00 C ATOM 487 C6 DG B 8 0.075 -14.093 0.504 1.00 0.00 C ATOM 488 O6 DG B 8 0.213 -14.065 -0.715 1.00 0.00 O ATOM 489 N1 DG B 8 -1.194 -14.255 1.051 1.00 0.00 N ATOM 490 C2 DG B 8 -1.461 -14.314 2.406 1.00 0.00 C ATOM 491 N2 DG B 8 -2.742 -14.459 2.762 1.00 0.00 N ATOM 492 N3 DG B 8 -0.509 -14.190 3.349 1.00 0.00 N ATOM 493 C4 DG B 8 0.740 -14.015 2.831 1.00 0.00 C ATOM 0 H5' DG B 8 4.503 -11.068 4.984 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.363 -10.191 5.985 1.00 0.00 H new ATOM 0 H4' DG B 8 2.903 -12.277 7.270 1.00 0.00 H new ATOM 0 H3' DG B 8 5.101 -13.485 5.683 1.00 0.00 H new ATOM 0 H2' DG B 8 3.627 -15.158 4.816 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.740 -15.231 6.326 1.00 0.00 H new ATOM 0 HO3' DG B 8 5.052 -14.839 7.444 1.00 0.00 H new ATOM 0 H1' DG B 8 1.128 -13.871 5.496 1.00 0.00 H new ATOM 0 H8 DG B 8 3.926 -13.529 2.817 1.00 0.00 H new ATOM 0 H1 DG B 8 -1.982 -14.336 0.408 1.00 0.00 H new ATOM 0 H21 DG B 8 -2.995 -14.508 3.749 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.466 -14.520 2.046 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -5.065 -4.107 3.788 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.450 -4.312 3.831 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.152 -4.510 2.636 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.471 -4.478 1.410 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.268 -4.245 0.216 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.777 -4.198 -1.174 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.961 -4.241 0.590 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.885 -4.330 -0.415 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.712 -4.133 2.219 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.371 -4.160 2.557 1.00 0.00 C HETATM 517 C11 TOT A 9 -5.066 -4.304 1.351 1.00 0.00 C HETATM 518 C12 TOT A 9 1.764 -4.572 -1.399 1.00 0.00 C HETATM 519 C13 TOT A 9 2.584 -4.963 -2.482 1.00 0.00 C HETATM 520 C14 TOT A 9 2.030 -5.577 -3.599 1.00 0.00 C HETATM 521 C15 TOT A 9 0.639 -5.637 -3.747 1.00 0.00 C HETATM 522 C16 TOT A 9 -0.197 -5.219 -2.697 1.00 0.00 C HETATM 523 C17 TOT A 9 0.349 -4.736 -1.479 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.465 -4.423 -0.340 1.00 0.00 C HETATM 525 C19 TOT A 9 0.202 -4.203 0.879 1.00 0.00 C HETATM 526 C20 TOT A 9 1.570 -3.966 0.897 1.00 0.00 C HETATM 527 N21 TOT A 9 2.325 -4.051 -0.236 1.00 0.00 N HETATM 528 C22 TOT A 9 3.697 -3.584 0.047 1.00 0.00 C HETATM 529 C23 TOT A 9 4.590 -2.681 -0.802 1.00 0.00 C HETATM 530 C24 TOT A 9 5.889 -2.586 0.038 1.00 0.00 C HETATM 531 N25 TOT A 9 6.755 -1.393 -0.185 1.00 0.00 N HETATM 532 C26 TOT A 9 6.157 -0.143 0.380 1.00 0.00 C HETATM 533 C27 TOT A 9 6.078 -0.073 1.925 1.00 0.00 C HETATM 534 C28 TOT A 9 6.974 -1.187 -1.634 1.00 0.00 C HETATM 535 C29 TOT A 9 8.075 -1.664 0.440 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.056 4.982 -5.866 1.00 0.00 C HETATM 537 C32 TOT A 9 -3.155 5.171 -6.713 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.412 5.441 -6.158 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.561 5.504 -4.763 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.456 5.357 -2.509 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.683 5.354 -1.671 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.171 5.347 -2.061 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.872 5.452 -0.625 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.025 5.213 -3.241 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.190 5.160 -4.470 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.450 5.366 -3.897 1.00 0.00 C HETATM 547 C42 TOT A 9 0.567 5.675 2.242 1.00 0.00 C HETATM 548 C43 TOT A 9 0.654 6.269 3.511 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.495 6.536 4.250 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.744 6.265 3.686 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.844 5.891 2.330 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.675 5.634 1.560 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.686 5.334 0.159 1.00 0.00 C HETATM 554 C49 TOT A 9 0.530 4.908 -0.424 1.00 0.00 C HETATM 555 C50 TOT A 9 1.697 4.791 0.340 1.00 0.00 C HETATM 556 N51 TOT A 9 1.704 5.139 1.660 1.00 0.00 N HETATM 557 C52 TOT A 9 2.978 4.917 2.375 1.00 0.00 C HETATM 558 C53 TOT A 9 3.698 3.593 2.074 1.00 0.00 C HETATM 559 C54 TOT A 9 4.796 3.378 3.121 1.00 0.00 C HETATM 560 N55 TOT A 9 5.824 2.348 2.788 1.00 0.00 N HETATM 561 C56 TOT A 9 5.157 1.062 2.423 1.00 0.00 C HETATM 562 C58 TOT A 9 6.648 2.180 4.015 1.00 0.00 C HETATM 563 C59 TOT A 9 6.703 2.846 1.698 1.00 0.00 C HETATM 0 H593 TOT A 9 6.102 3.054 0.813 1.00 0.00 H new HETATM 0 H592 TOT A 9 7.201 3.760 2.021 1.00 0.00 H new HETATM 0 H591 TOT A 9 7.451 2.090 1.460 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.113 3.131 4.274 1.00 0.00 H new HETATM 0 H582 TOT A 9 6.013 1.851 4.837 1.00 0.00 H new HETATM 0 H581 TOT A 9 7.422 1.435 3.834 1.00 0.00 H new HETATM 0 H562 TOT A 9 4.419 1.268 1.648 1.00 0.00 H new HETATM 0 H561 TOT A 9 4.611 0.701 3.295 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.303 4.328 3.287 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.323 3.100 4.063 1.00 0.00 H new HETATM 0 H532 TOT A 9 2.989 2.765 2.095 1.00 0.00 H new HETATM 0 H531 TOT A 9 4.130 3.617 1.074 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.654 5.738 2.135 1.00 0.00 H new HETATM 0 H521 TOT A 9 2.784 4.967 3.446 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.698 4.458 -1.050 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.690 6.238 -1.033 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.563 5.364 -2.314 1.00 0.00 H new HETATM 0 H293 TOT A 9 7.943 -1.840 1.508 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.521 -2.545 -0.020 1.00 0.00 H new HETATM 0 H291 TOT A 9 8.731 -0.806 0.292 1.00 0.00 H new HETATM 0 H283 TOT A 9 7.461 -2.066 -2.057 1.00 0.00 H new HETATM 0 H282 TOT A 9 6.015 -1.030 -2.128 1.00 0.00 H new HETATM 0 H281 TOT A 9 7.608 -0.313 -1.786 1.00 0.00 H new HETATM 0 H272 TOT A 9 5.714 -1.026 2.310 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.079 0.073 2.330 1.00 0.00 H new HETATM 0 H262 TOT A 9 6.739 0.708 0.026 1.00 0.00 H new HETATM 0 H261 TOT A 9 5.150 -0.030 -0.022 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.613 -2.612 1.092 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.484 -3.478 -0.157 1.00 0.00 H new HETATM 0 H232 TOT A 9 4.777 -3.109 -1.787 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.139 -1.701 -0.960 1.00 0.00 H new HETATM 0 H222 TOT A 9 3.630 -3.085 1.014 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.278 -4.494 0.197 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.258 -4.323 -1.439 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.432 -3.284 -1.657 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.407 -5.062 -1.726 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.867 -4.214 -1.163 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.610 4.418 -0.124 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.559 4.667 -1.487 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.826 5.798 1.867 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.644 6.343 4.296 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.421 6.951 5.255 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.631 6.524 3.922 1.00 0.00 H new HETATM 0 H4 TOT A 9 -7.034 -4.589 0.484 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.755 5.669 -0.024 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.552 5.662 -4.339 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.273 5.602 -6.807 1.00 0.00 H new HETATM 0 H32 TOT A 9 -3.033 5.109 -7.794 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.092 4.696 -6.286 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.227 -4.689 2.658 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.052 -3.706 1.839 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.976 -4.317 4.786 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.358 -4.219 1.814 1.00 0.00 H new HETATM 0 H16 TOT A 9 -1.279 -5.266 -2.820 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.205 -6.007 -4.676 1.00 0.00 H new HETATM 0 H14 TOT A 9 2.678 -6.012 -4.360 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.658 -4.782 -2.441 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.519 -3.905 4.709 1.00 0.00 H new