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 -8.003 -17.168 -5.410 1.00 0.00 O ATOM 2 C5' DC A 1 -8.261 -15.994 -4.667 1.00 0.00 C ATOM 3 C4' DC A 1 -7.900 -16.208 -3.192 1.00 0.00 C ATOM 4 O4' DC A 1 -6.499 -16.433 -3.119 1.00 0.00 O ATOM 5 C3' DC A 1 -8.228 -14.964 -2.353 1.00 0.00 C ATOM 6 O3' DC A 1 -8.997 -15.368 -1.236 1.00 0.00 O ATOM 7 C2' DC A 1 -6.849 -14.457 -1.960 1.00 0.00 C ATOM 8 C1' DC A 1 -5.950 -15.671 -2.057 1.00 0.00 C ATOM 9 N1 DC A 1 -4.586 -15.201 -2.424 1.00 0.00 N ATOM 10 C2 DC A 1 -3.713 -14.846 -1.392 1.00 0.00 C ATOM 11 O2 DC A 1 -3.973 -15.103 -0.217 1.00 0.00 O ATOM 12 N3 DC A 1 -2.556 -14.202 -1.710 1.00 0.00 N ATOM 13 C4 DC A 1 -2.260 -13.882 -2.979 1.00 0.00 C ATOM 14 N4 DC A 1 -1.128 -13.218 -3.228 1.00 0.00 N ATOM 15 C5 DC A 1 -3.149 -14.214 -4.054 1.00 0.00 C ATOM 16 C6 DC A 1 -4.290 -14.865 -3.726 1.00 0.00 C ATOM 0 H5' DC A 1 -9.313 -15.723 -4.755 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.683 -15.164 -5.073 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.472 -17.051 -2.804 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.810 -14.194 -2.859 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.514 -13.662 -2.627 1.00 0.00 H new ATOM 0 H2'' DC A 1 -6.851 -14.046 -0.951 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.239 -17.019 -6.349 1.00 0.00 H new ATOM 0 H1' DC A 1 -5.886 -16.246 -1.133 1.00 0.00 H new ATOM 0 H41 DC A 1 -0.885 -12.966 -4.186 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.507 -12.963 -2.460 1.00 0.00 H new ATOM 0 H5 DC A 1 -2.919 -13.957 -5.077 1.00 0.00 H new ATOM 0 H6 DC A 1 -4.987 -15.128 -4.508 1.00 0.00 H new ATOM 29 P DG A 2 -9.651 -14.303 -0.216 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.589 -15.030 0.667 1.00 0.00 O ATOM 31 OP2 DG A 2 -10.129 -13.136 -0.991 1.00 0.00 O ATOM 32 O5' DG A 2 -8.386 -13.836 0.666 1.00 0.00 O ATOM 33 C5' DG A 2 -7.565 -14.773 1.341 1.00 0.00 C ATOM 34 C4' DG A 2 -6.859 -14.130 2.549 1.00 0.00 C ATOM 35 O4' DG A 2 -5.584 -13.694 2.101 1.00 0.00 O ATOM 36 C3' DG A 2 -7.592 -12.901 3.102 1.00 0.00 C ATOM 37 O3' DG A 2 -7.385 -12.847 4.505 1.00 0.00 O ATOM 38 C2' DG A 2 -6.864 -11.785 2.358 1.00 0.00 C ATOM 39 C1' DG A 2 -5.427 -12.315 2.377 1.00 0.00 C ATOM 40 N9 DG A 2 -4.521 -11.819 1.299 1.00 0.00 N ATOM 41 C8 DG A 2 -4.796 -11.557 -0.028 1.00 0.00 C ATOM 42 N7 DG A 2 -3.745 -11.316 -0.758 1.00 0.00 N ATOM 43 C5 DG A 2 -2.686 -11.403 0.135 1.00 0.00 C ATOM 44 C6 DG A 2 -1.283 -11.242 -0.088 1.00 0.00 C ATOM 45 O6 DG A 2 -0.696 -11.092 -1.156 1.00 0.00 O ATOM 46 N1 DG A 2 -0.549 -11.272 1.093 1.00 0.00 N ATOM 47 C2 DG A 2 -1.092 -11.517 2.340 1.00 0.00 C ATOM 48 N2 DG A 2 -0.250 -11.509 3.377 1.00 0.00 N ATOM 49 N3 DG A 2 -2.400 -11.758 2.538 1.00 0.00 N ATOM 50 C4 DG A 2 -3.150 -11.675 1.402 1.00 0.00 C ATOM 0 H5' DG A 2 -6.821 -15.171 0.651 1.00 0.00 H new ATOM 0 H5'' DG A 2 -8.170 -15.615 1.677 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.818 -14.873 3.345 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.673 -12.870 2.964 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.241 -11.650 1.344 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.956 -10.823 2.863 1.00 0.00 H new ATOM 0 H1' DG A 2 -4.977 -12.014 3.323 1.00 0.00 H new ATOM 0 H8 DG A 2 -5.799 -11.552 -0.428 1.00 0.00 H new ATOM 0 H1 DG A 2 0.455 -11.102 1.035 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.600 -11.684 4.319 1.00 0.00 H new ATOM 0 H22 DG A 2 0.742 -11.328 3.227 1.00 0.00 H new ATOM 62 P DC A 3 -7.931 -11.633 5.427 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.119 -12.147 6.802 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.060 -10.979 4.729 1.00 0.00 O ATOM 65 O5' DC A 3 -6.682 -10.611 5.435 1.00 0.00 O ATOM 66 C5' DC A 3 -5.472 -10.960 6.078 1.00 0.00 C ATOM 67 C4' DC A 3 -4.374 -9.910 5.867 1.00 0.00 C ATOM 68 O4' DC A 3 -3.998 -10.063 4.519 1.00 0.00 O ATOM 69 C3' DC A 3 -4.765 -8.425 6.022 1.00 0.00 C ATOM 70 O3' DC A 3 -4.328 -7.852 7.242 1.00 0.00 O ATOM 71 C2' DC A 3 -4.076 -7.777 4.821 1.00 0.00 C ATOM 72 C1' DC A 3 -3.267 -8.913 4.213 1.00 0.00 C ATOM 73 N1 DC A 3 -3.192 -8.736 2.757 1.00 0.00 N ATOM 74 C2 DC A 3 -2.012 -8.267 2.195 1.00 0.00 C ATOM 75 O2 DC A 3 -0.992 -8.152 2.864 1.00 0.00 O ATOM 76 N3 DC A 3 -2.012 -7.934 0.874 1.00 0.00 N ATOM 77 C4 DC A 3 -3.136 -7.979 0.148 1.00 0.00 C ATOM 78 N4 DC A 3 -3.036 -7.777 -1.169 1.00 0.00 N ATOM 79 C5 DC A 3 -4.384 -8.338 0.762 1.00 0.00 C ATOM 80 C6 DC A 3 -4.345 -8.743 2.034 1.00 0.00 C ATOM 0 H5' DC A 3 -5.128 -11.923 5.700 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.653 -11.083 7.146 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.623 -10.091 6.636 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.845 -8.282 6.049 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.800 -7.377 4.112 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.437 -6.948 5.125 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.246 -8.958 4.592 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.871 -7.804 -1.754 1.00 0.00 H new ATOM 0 H42 DC A 3 -2.124 -7.596 -1.589 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.315 -8.283 0.218 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.255 -9.086 2.503 1.00 0.00 H new ATOM 92 P DT A 4 -4.844 -6.395 7.743 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.577 -6.314 9.195 1.00 0.00 O ATOM 94 OP2 DT A 4 -6.223 -6.188 7.247 1.00 0.00 O ATOM 95 O5' DT A 4 -3.899 -5.305 7.007 1.00 0.00 O ATOM 96 C5' DT A 4 -3.809 -3.974 7.497 1.00 0.00 C ATOM 97 C4' DT A 4 -2.782 -3.142 6.721 1.00 0.00 C ATOM 98 O4' DT A 4 -3.194 -3.024 5.379 1.00 0.00 O ATOM 99 C3' DT A 4 -2.661 -1.699 7.241 1.00 0.00 C ATOM 100 O3' DT A 4 -1.418 -1.554 7.907 1.00 0.00 O ATOM 101 C2' DT A 4 -2.758 -0.842 5.970 1.00 0.00 C ATOM 102 C1' DT A 4 -2.549 -1.878 4.874 1.00 0.00 C ATOM 103 N1 DT A 4 -3.179 -1.530 3.574 1.00 0.00 N ATOM 104 C2 DT A 4 -2.336 -1.309 2.489 1.00 0.00 C ATOM 105 O2 DT A 4 -1.122 -1.167 2.600 1.00 0.00 O ATOM 106 N3 DT A 4 -2.944 -1.254 1.247 1.00 0.00 N ATOM 107 C4 DT A 4 -4.299 -1.369 0.988 1.00 0.00 C ATOM 108 O4 DT A 4 -4.701 -1.350 -0.173 1.00 0.00 O ATOM 109 C5 DT A 4 -5.119 -1.507 2.178 1.00 0.00 C ATOM 110 C7 DT A 4 -6.627 -1.591 2.043 1.00 0.00 C ATOM 111 C6 DT A 4 -4.544 -1.579 3.407 1.00 0.00 C ATOM 0 H5' DT A 4 -3.536 -3.994 8.552 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.787 -3.497 7.430 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.829 -3.658 6.838 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.424 -1.411 7.964 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.725 -0.347 5.884 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.997 -0.062 5.945 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.485 -1.984 4.662 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.333 -1.115 0.442 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.032 -2.192 2.857 1.00 0.00 H new ATOM 0 H72 DT A 4 -7.052 -0.588 2.085 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.882 -2.053 1.089 1.00 0.00 H new ATOM 0 H6 DT A 4 -5.176 -1.677 4.277 1.00 0.00 H new ATOM 124 P DA A 5 -0.986 -0.181 8.644 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.057 -0.523 9.742 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.211 0.597 8.935 1.00 0.00 O ATOM 127 O5' DA A 5 -0.157 0.610 7.507 1.00 0.00 O ATOM 128 C5' DA A 5 1.143 0.209 7.123 1.00 0.00 C ATOM 129 C4' DA A 5 1.850 1.113 6.127 1.00 0.00 C ATOM 130 O4' DA A 5 1.113 1.082 4.911 1.00 0.00 O ATOM 131 C3' DA A 5 1.823 2.513 6.720 1.00 0.00 C ATOM 132 O3' DA A 5 2.915 3.305 6.317 1.00 0.00 O ATOM 133 C2' DA A 5 0.582 3.011 6.026 1.00 0.00 C ATOM 134 C1' DA A 5 0.642 2.385 4.634 1.00 0.00 C ATOM 135 N9 DA A 5 -0.699 2.243 4.002 1.00 0.00 N ATOM 136 C8 DA A 5 -1.974 2.403 4.507 1.00 0.00 C ATOM 137 N7 DA A 5 -2.927 2.291 3.622 1.00 0.00 N ATOM 138 C5 DA A 5 -2.247 2.019 2.446 1.00 0.00 C ATOM 139 C6 DA A 5 -2.657 1.818 1.111 1.00 0.00 C ATOM 140 N6 DA A 5 -3.926 1.877 0.689 1.00 0.00 N ATOM 141 N1 DA A 5 -1.713 1.537 0.201 1.00 0.00 N ATOM 142 C2 DA A 5 -0.442 1.468 0.577 1.00 0.00 C ATOM 143 N3 DA A 5 0.074 1.648 1.781 1.00 0.00 N ATOM 144 C4 DA A 5 -0.895 1.936 2.683 1.00 0.00 C ATOM 0 H5' DA A 5 1.082 -0.792 6.696 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.759 0.136 8.019 1.00 0.00 H new ATOM 0 H4' DA A 5 2.876 0.801 5.932 1.00 0.00 H new ATOM 0 H3' DA A 5 1.852 2.539 7.809 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.319 2.707 6.559 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.568 4.100 5.971 1.00 0.00 H new ATOM 0 H1' DA A 5 1.244 2.989 3.955 1.00 0.00 H new ATOM 0 H8 DA A 5 -2.167 2.605 5.550 1.00 0.00 H new ATOM 0 H61 DA A 5 -4.144 1.720 -0.295 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.675 2.079 1.351 1.00 0.00 H new ATOM 0 H2 DA A 5 0.265 1.234 -0.205 1.00 0.00 H new ATOM 156 P DG A 6 4.422 3.168 6.904 1.00 0.00 P ATOM 157 OP1 DG A 6 4.999 1.884 6.445 1.00 0.00 O ATOM 158 OP2 DG A 6 4.408 3.512 8.343 1.00 0.00 O ATOM 159 O5' DG A 6 5.132 4.370 6.080 1.00 0.00 O ATOM 160 C5' DG A 6 4.485 4.832 4.913 1.00 0.00 C ATOM 161 C4' DG A 6 5.244 5.724 3.933 1.00 0.00 C ATOM 162 O4' DG A 6 4.211 6.224 3.107 1.00 0.00 O ATOM 163 C3' DG A 6 5.860 6.919 4.656 1.00 0.00 C ATOM 164 O3' DG A 6 6.820 7.664 3.928 1.00 0.00 O ATOM 165 C2' DG A 6 4.659 7.841 4.754 1.00 0.00 C ATOM 166 C1' DG A 6 4.088 7.605 3.356 1.00 0.00 C ATOM 167 N9 DG A 6 2.684 8.018 3.155 1.00 0.00 N ATOM 168 C8 DG A 6 1.748 8.487 4.044 1.00 0.00 C ATOM 169 N7 DG A 6 0.578 8.710 3.510 1.00 0.00 N ATOM 170 C5 DG A 6 0.743 8.351 2.175 1.00 0.00 C ATOM 171 C6 DG A 6 -0.206 8.268 1.111 1.00 0.00 C ATOM 172 O6 DG A 6 -1.406 8.530 1.138 1.00 0.00 O ATOM 173 N1 DG A 6 0.373 7.822 -0.075 1.00 0.00 N ATOM 174 C2 DG A 6 1.690 7.432 -0.213 1.00 0.00 C ATOM 175 N2 DG A 6 2.097 7.011 -1.413 1.00 0.00 N ATOM 176 N3 DG A 6 2.565 7.459 0.798 1.00 0.00 N ATOM 177 C4 DG A 6 2.033 7.934 1.954 1.00 0.00 C ATOM 0 H5' DG A 6 3.595 5.377 5.228 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.144 3.956 4.360 1.00 0.00 H new ATOM 0 H4' DG A 6 6.042 5.189 3.418 1.00 0.00 H new ATOM 0 H3' DG A 6 6.366 6.576 5.559 1.00 0.00 H new ATOM 0 H2' DG A 6 3.969 7.556 5.548 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.935 8.881 4.930 1.00 0.00 H new ATOM 0 H1' DG A 6 4.650 8.233 2.665 1.00 0.00 H new ATOM 0 H8 DG A 6 1.961 8.656 5.089 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.221 7.781 -0.903 1.00 0.00 H new ATOM 0 H21 DG A 6 3.064 6.716 -1.549 1.00 0.00 H new ATOM 0 H22 DG A 6 1.441 6.985 -2.194 1.00 0.00 H new ATOM 189 P DC A 7 8.219 7.096 3.366 1.00 0.00 P ATOM 190 OP1 DC A 7 8.243 5.617 3.418 1.00 0.00 O ATOM 191 OP2 DC A 7 9.312 7.876 3.987 1.00 0.00 O ATOM 192 O5' DC A 7 8.061 7.573 1.833 1.00 0.00 O ATOM 193 C5' DC A 7 7.399 6.784 0.861 1.00 0.00 C ATOM 194 C4' DC A 7 6.767 7.655 -0.237 1.00 0.00 C ATOM 195 O4' DC A 7 5.527 8.160 0.257 1.00 0.00 O ATOM 196 C3' DC A 7 7.619 8.874 -0.647 1.00 0.00 C ATOM 197 O3' DC A 7 7.643 8.942 -2.069 1.00 0.00 O ATOM 198 C2' DC A 7 6.798 10.002 -0.010 1.00 0.00 C ATOM 199 C1' DC A 7 5.396 9.465 -0.260 1.00 0.00 C ATOM 200 N1 DC A 7 4.252 10.221 0.350 1.00 0.00 N ATOM 201 C2 DC A 7 3.069 10.325 -0.395 1.00 0.00 C ATOM 202 O2 DC A 7 3.000 9.960 -1.568 1.00 0.00 O ATOM 203 N3 DC A 7 1.961 10.849 0.199 1.00 0.00 N ATOM 204 C4 DC A 7 2.002 11.330 1.445 1.00 0.00 C ATOM 205 N4 DC A 7 0.873 11.811 1.976 1.00 0.00 N ATOM 206 C5 DC A 7 3.231 11.356 2.187 1.00 0.00 C ATOM 207 C6 DC A 7 4.320 10.799 1.602 1.00 0.00 C ATOM 0 H5' DC A 7 6.626 6.185 1.342 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.107 6.088 0.412 1.00 0.00 H new ATOM 0 H4' DC A 7 6.663 7.017 -1.115 1.00 0.00 H new ATOM 0 H3' DC A 7 8.664 8.881 -0.337 1.00 0.00 H new ATOM 0 H2' DC A 7 7.014 10.130 1.051 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.969 10.966 -0.489 1.00 0.00 H new ATOM 0 H1' DC A 7 5.114 9.542 -1.310 1.00 0.00 H new ATOM 0 H41 DC A 7 0.875 12.185 2.925 1.00 0.00 H new ATOM 0 H42 DC A 7 0.010 11.804 1.432 1.00 0.00 H new ATOM 0 H5 DC A 7 3.286 11.801 3.170 1.00 0.00 H new ATOM 0 H6 DC A 7 5.263 10.808 2.128 1.00 0.00 H new ATOM 219 P DG A 8 8.529 10.023 -2.894 1.00 0.00 P ATOM 220 OP1 DG A 8 9.587 9.289 -3.621 1.00 0.00 O ATOM 221 OP2 DG A 8 8.898 11.132 -1.987 1.00 0.00 O ATOM 222 O5' DG A 8 7.474 10.597 -3.983 1.00 0.00 O ATOM 223 C5' DG A 8 6.157 10.942 -3.600 1.00 0.00 C ATOM 224 C4' DG A 8 5.674 12.264 -4.146 1.00 0.00 C ATOM 225 O4' DG A 8 4.419 12.329 -3.521 1.00 0.00 O ATOM 226 C3' DG A 8 6.413 13.499 -3.648 1.00 0.00 C ATOM 227 O3' DG A 8 7.404 13.923 -4.560 1.00 0.00 O ATOM 228 C2' DG A 8 5.267 14.511 -3.566 1.00 0.00 C ATOM 229 C1' DG A 8 3.997 13.649 -3.618 1.00 0.00 C ATOM 230 N9 DG A 8 3.134 13.850 -2.436 1.00 0.00 N ATOM 231 C8 DG A 8 3.478 13.694 -1.118 1.00 0.00 C ATOM 232 N7 DG A 8 2.503 13.900 -0.283 1.00 0.00 N ATOM 233 C5 DG A 8 1.423 14.200 -1.105 1.00 0.00 C ATOM 234 C6 DG A 8 0.068 14.493 -0.764 1.00 0.00 C ATOM 235 O6 DG A 8 -0.443 14.509 0.352 1.00 0.00 O ATOM 236 N1 DG A 8 -0.707 14.789 -1.880 1.00 0.00 N ATOM 237 C2 DG A 8 -0.248 14.761 -3.185 1.00 0.00 C ATOM 238 N2 DG A 8 -1.131 15.045 -4.148 1.00 0.00 N ATOM 239 N3 DG A 8 1.021 14.461 -3.511 1.00 0.00 N ATOM 240 C4 DG A 8 1.803 14.194 -2.427 1.00 0.00 C ATOM 0 H5' DG A 8 6.104 10.971 -2.512 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.478 10.156 -3.931 1.00 0.00 H new ATOM 0 H4' DG A 8 5.759 12.282 -5.233 1.00 0.00 H new ATOM 0 H3' DG A 8 6.953 13.346 -2.714 1.00 0.00 H new ATOM 0 H2' DG A 8 5.315 15.093 -2.646 1.00 0.00 H new ATOM 0 H2'' DG A 8 5.301 15.219 -4.394 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.855 14.718 -4.207 1.00 0.00 H new ATOM 0 H1' DG A 8 3.448 13.903 -4.525 1.00 0.00 H new ATOM 0 H8 DG A 8 4.474 13.423 -0.800 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.682 15.045 -1.726 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.840 15.037 -5.125 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.096 15.269 -3.905 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -9.588 19.033 -1.165 1.00 0.00 O ATOM 255 C5' DC B 1 -9.391 17.652 -1.382 1.00 0.00 C ATOM 256 C4' DC B 1 -8.403 17.432 -2.533 1.00 0.00 C ATOM 257 O4' DC B 1 -7.152 17.968 -2.129 1.00 0.00 O ATOM 258 C3' DC B 1 -8.203 15.936 -2.819 1.00 0.00 C ATOM 259 O3' DC B 1 -8.425 15.717 -4.198 1.00 0.00 O ATOM 260 C2' DC B 1 -6.755 15.700 -2.404 1.00 0.00 C ATOM 261 C1' DC B 1 -6.121 17.074 -2.503 1.00 0.00 C ATOM 262 N1 DC B 1 -5.008 17.147 -1.519 1.00 0.00 N ATOM 263 C2 DC B 1 -3.744 16.711 -1.923 1.00 0.00 C ATOM 264 O2 DC B 1 -3.521 16.402 -3.092 1.00 0.00 O ATOM 265 N3 DC B 1 -2.755 16.631 -0.988 1.00 0.00 N ATOM 266 C4 DC B 1 -2.987 16.934 0.298 1.00 0.00 C ATOM 267 N4 DC B 1 -1.989 16.800 1.178 1.00 0.00 N ATOM 268 C5 DC B 1 -4.292 17.327 0.747 1.00 0.00 C ATOM 269 C6 DC B 1 -5.264 17.410 -0.193 1.00 0.00 C ATOM 0 H5' DC B 1 -10.343 17.174 -1.614 1.00 0.00 H new ATOM 0 H5'' DC B 1 -9.012 17.184 -0.473 1.00 0.00 H new ATOM 0 H4' DC B 1 -8.791 17.911 -3.432 1.00 0.00 H new ATOM 0 H3' DC B 1 -8.877 15.260 -2.293 1.00 0.00 H new ATOM 0 H2' DC B 1 -6.689 15.301 -1.392 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.262 14.984 -3.062 1.00 0.00 H new ATOM 0 HO5' DC B 1 -10.222 19.161 -0.429 1.00 0.00 H new ATOM 0 H1' DC B 1 -5.723 17.299 -3.493 1.00 0.00 H new ATOM 0 H41 DC B 1 -2.142 17.025 2.161 1.00 0.00 H new ATOM 0 H42 DC B 1 -1.074 16.473 0.866 1.00 0.00 H new ATOM 0 H5 DC B 1 -4.490 17.546 1.786 1.00 0.00 H new ATOM 0 H6 DC B 1 -6.264 17.689 0.106 1.00 0.00 H new ATOM 282 P DG B 2 -8.398 14.244 -4.854 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.000 14.330 -6.203 1.00 0.00 O ATOM 284 OP2 DG B 2 -8.936 13.277 -3.871 1.00 0.00 O ATOM 285 O5' DG B 2 -6.822 13.962 -5.025 1.00 0.00 O ATOM 286 C5' DG B 2 -5.966 14.898 -5.650 1.00 0.00 C ATOM 287 C4' DG B 2 -4.805 14.195 -6.371 1.00 0.00 C ATOM 288 O4' DG B 2 -3.851 13.855 -5.378 1.00 0.00 O ATOM 289 C3' DG B 2 -5.219 12.902 -7.080 1.00 0.00 C ATOM 290 O3' DG B 2 -4.378 12.729 -8.214 1.00 0.00 O ATOM 291 C2' DG B 2 -4.928 11.880 -5.990 1.00 0.00 C ATOM 292 C1' DG B 2 -3.651 12.454 -5.369 1.00 0.00 C ATOM 293 N9 DG B 2 -3.432 12.109 -3.938 1.00 0.00 N ATOM 294 C8 DG B 2 -4.333 12.130 -2.895 1.00 0.00 C ATOM 295 N7 DG B 2 -3.808 11.882 -1.728 1.00 0.00 N ATOM 296 C5 DG B 2 -2.460 11.687 -2.000 1.00 0.00 C ATOM 297 C6 DG B 2 -1.379 11.398 -1.111 1.00 0.00 C ATOM 298 O6 DG B 2 -1.410 11.286 0.112 1.00 0.00 O ATOM 299 N1 DG B 2 -0.171 11.235 -1.779 1.00 0.00 N ATOM 300 C2 DG B 2 -0.004 11.391 -3.141 1.00 0.00 C ATOM 301 N2 DG B 2 1.221 11.181 -3.630 1.00 0.00 N ATOM 302 N3 DG B 2 -1.011 11.715 -3.970 1.00 0.00 N ATOM 303 C4 DG B 2 -2.216 11.835 -3.346 1.00 0.00 C ATOM 0 H5' DG B 2 -5.570 15.587 -4.904 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.534 15.494 -6.365 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.423 14.872 -7.135 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.243 12.852 -7.451 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.740 11.809 -5.267 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.774 10.880 -6.395 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.804 12.062 -5.932 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.384 12.335 -3.033 1.00 0.00 H new ATOM 0 H1 DG B 2 0.648 10.983 -1.226 1.00 0.00 H new ATOM 0 H21 DG B 2 1.396 11.284 -4.630 1.00 0.00 H new ATOM 0 H22 DG B 2 1.982 10.918 -3.004 1.00 0.00 H new ATOM 315 P DC B 3 -4.412 11.405 -9.148 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.896 11.773 -10.485 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.747 10.778 -9.026 1.00 0.00 O ATOM 318 O5' DC B 3 -3.331 10.428 -8.443 1.00 0.00 O ATOM 319 C5' DC B 3 -1.953 10.745 -8.450 1.00 0.00 C ATOM 320 C4' DC B 3 -1.119 9.752 -7.630 1.00 0.00 C ATOM 321 O4' DC B 3 -1.498 9.963 -6.290 1.00 0.00 O ATOM 322 C3' DC B 3 -1.348 8.250 -7.900 1.00 0.00 C ATOM 323 O3' DC B 3 -0.281 7.673 -8.631 1.00 0.00 O ATOM 324 C2' DC B 3 -1.458 7.670 -6.487 1.00 0.00 C ATOM 325 C1' DC B 3 -1.044 8.832 -5.597 1.00 0.00 C ATOM 326 N1 DC B 3 -1.722 8.727 -4.295 1.00 0.00 N ATOM 327 C2 DC B 3 -1.012 8.271 -3.187 1.00 0.00 C ATOM 328 O2 DC B 3 0.197 8.071 -3.239 1.00 0.00 O ATOM 329 N3 DC B 3 -1.701 8.050 -2.031 1.00 0.00 N ATOM 330 C4 DC B 3 -3.031 8.186 -1.976 1.00 0.00 C ATOM 331 N4 DC B 3 -3.632 8.077 -0.788 1.00 0.00 N ATOM 332 C5 DC B 3 -3.775 8.515 -3.158 1.00 0.00 C ATOM 333 C6 DC B 3 -3.079 8.810 -4.258 1.00 0.00 C ATOM 0 H5' DC B 3 -1.812 11.750 -8.051 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.591 10.757 -9.478 1.00 0.00 H new ATOM 0 H4' DC B 3 -0.078 9.943 -7.892 1.00 0.00 H new ATOM 0 H3' DC B 3 -2.226 8.052 -8.515 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.472 7.337 -6.267 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.803 6.809 -6.354 1.00 0.00 H new ATOM 0 H1' DC B 3 0.028 8.861 -5.400 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.645 8.176 -0.718 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.078 7.894 0.049 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.855 8.524 -3.158 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.609 9.124 -5.145 1.00 0.00 H new ATOM 345 P DT B 4 -0.361 6.165 -9.224 1.00 0.00 P ATOM 346 OP1 DT B 4 0.473 6.123 -10.445 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.783 5.761 -9.301 1.00 0.00 O ATOM 348 O5' DT B 4 0.348 5.234 -8.112 1.00 0.00 O ATOM 349 C5' DT B 4 0.706 3.896 -8.419 1.00 0.00 C ATOM 350 C4' DT B 4 1.318 3.204 -7.196 1.00 0.00 C ATOM 351 O4' DT B 4 0.296 3.064 -6.229 1.00 0.00 O ATOM 352 C3' DT B 4 1.812 1.782 -7.513 1.00 0.00 C ATOM 353 O3' DT B 4 3.220 1.729 -7.343 1.00 0.00 O ATOM 354 C2' DT B 4 1.072 0.905 -6.497 1.00 0.00 C ATOM 355 C1' DT B 4 0.629 1.930 -5.462 1.00 0.00 C ATOM 356 N1 DT B 4 -0.579 1.529 -4.691 1.00 0.00 N ATOM 357 C2 DT B 4 -0.444 1.381 -3.315 1.00 0.00 C ATOM 358 O2 DT B 4 0.641 1.355 -2.739 1.00 0.00 O ATOM 359 N3 DT B 4 -1.623 1.263 -2.601 1.00 0.00 N ATOM 360 C4 DT B 4 -2.909 1.282 -3.111 1.00 0.00 C ATOM 361 O4 DT B 4 -3.873 1.262 -2.347 1.00 0.00 O ATOM 362 C5 DT B 4 -2.961 1.330 -4.561 1.00 0.00 C ATOM 363 C7 DT B 4 -4.308 1.285 -5.256 1.00 0.00 C ATOM 364 C6 DT B 4 -1.818 1.446 -5.288 1.00 0.00 C ATOM 0 H5' DT B 4 1.419 3.885 -9.244 1.00 0.00 H new ATOM 0 H5'' DT B 4 -0.174 3.346 -8.751 1.00 0.00 H new ATOM 0 H4' DT B 4 2.162 3.806 -6.859 1.00 0.00 H new ATOM 0 H3' DT B 4 1.618 1.457 -8.535 1.00 0.00 H new ATOM 0 H2' DT B 4 0.225 0.386 -6.946 1.00 0.00 H new ATOM 0 H2'' DT B 4 1.721 0.143 -6.066 1.00 0.00 H new ATOM 0 H1' DT B 4 1.419 2.074 -4.725 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.535 1.150 -1.591 1.00 0.00 H new ATOM 0 H71 DT B 4 -4.251 1.835 -6.195 1.00 0.00 H new ATOM 0 H72 DT B 4 -4.578 0.249 -5.459 1.00 0.00 H new ATOM 0 H73 DT B 4 -5.064 1.738 -4.615 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.883 1.474 -6.366 1.00 0.00 H new ATOM 377 P DA B 5 4.090 0.412 -7.703 1.00 0.00 P ATOM 378 OP1 DA B 5 5.431 0.855 -8.144 1.00 0.00 O ATOM 379 OP2 DA B 5 3.279 -0.451 -8.590 1.00 0.00 O ATOM 380 O5' DA B 5 4.247 -0.348 -6.286 1.00 0.00 O ATOM 381 C5' DA B 5 5.177 0.080 -5.310 1.00 0.00 C ATOM 382 C4' DA B 5 5.236 -0.747 -4.032 1.00 0.00 C ATOM 383 O4' DA B 5 3.946 -0.690 -3.435 1.00 0.00 O ATOM 384 C3' DA B 5 5.550 -2.188 -4.417 1.00 0.00 C ATOM 385 O3' DA B 5 6.174 -2.920 -3.379 1.00 0.00 O ATOM 386 C2' DA B 5 4.134 -2.686 -4.546 1.00 0.00 C ATOM 387 C1' DA B 5 3.450 -2.007 -3.365 1.00 0.00 C ATOM 388 N9 DA B 5 1.974 -1.967 -3.468 1.00 0.00 N ATOM 389 C8 DA B 5 1.138 -2.170 -4.544 1.00 0.00 C ATOM 390 N7 DA B 5 -0.133 -2.136 -4.250 1.00 0.00 N ATOM 391 C5 DA B 5 -0.145 -1.887 -2.885 1.00 0.00 C ATOM 392 C6 DA B 5 -1.180 -1.746 -1.938 1.00 0.00 C ATOM 393 N6 DA B 5 -2.479 -1.851 -2.245 1.00 0.00 N ATOM 394 N1 DA B 5 -0.839 -1.472 -0.667 1.00 0.00 N ATOM 395 C2 DA B 5 0.447 -1.367 -0.343 1.00 0.00 C ATOM 396 N3 DA B 5 1.509 -1.493 -1.127 1.00 0.00 N ATOM 397 C4 DA B 5 1.135 -1.758 -2.407 1.00 0.00 C ATOM 0 H5' DA B 5 4.943 1.110 -5.041 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.169 0.086 -5.761 1.00 0.00 H new ATOM 0 H4' DA B 5 5.994 -0.375 -3.343 1.00 0.00 H new ATOM 0 H3' DA B 5 6.219 -2.281 -5.272 1.00 0.00 H new ATOM 0 H2' DA B 5 3.686 -2.399 -5.497 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.076 -3.773 -4.481 1.00 0.00 H new ATOM 0 H1' DA B 5 3.654 -2.542 -2.438 1.00 0.00 H new ATOM 0 H8 DA B 5 1.503 -2.343 -5.546 1.00 0.00 H new ATOM 0 H61 DA B 5 -3.186 -1.740 -1.518 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.762 -2.042 -3.206 1.00 0.00 H new ATOM 0 H2 DA B 5 0.653 -1.151 0.695 1.00 0.00 H new ATOM 409 P DG B 6 7.708 -2.707 -2.905 1.00 0.00 P ATOM 410 OP1 DG B 6 7.762 -1.517 -2.026 1.00 0.00 O ATOM 411 OP2 DG B 6 8.590 -2.798 -4.089 1.00 0.00 O ATOM 412 O5' DG B 6 7.930 -4.025 -1.987 1.00 0.00 O ATOM 413 C5' DG B 6 6.828 -4.542 -1.269 1.00 0.00 C ATOM 414 C4' DG B 6 7.073 -5.662 -0.249 1.00 0.00 C ATOM 415 O4' DG B 6 5.786 -6.227 -0.064 1.00 0.00 O ATOM 416 C3' DG B 6 7.955 -6.764 -0.834 1.00 0.00 C ATOM 417 O3' DG B 6 8.487 -7.706 0.081 1.00 0.00 O ATOM 418 C2' DG B 6 6.933 -7.555 -1.627 1.00 0.00 C ATOM 419 C1' DG B 6 5.786 -7.529 -0.614 1.00 0.00 C ATOM 420 N9 DG B 6 4.448 -7.859 -1.163 1.00 0.00 N ATOM 421 C8 DG B 6 4.035 -8.058 -2.457 1.00 0.00 C ATOM 422 N7 DG B 6 2.756 -8.274 -2.592 1.00 0.00 N ATOM 423 C5 DG B 6 2.267 -8.181 -1.297 1.00 0.00 C ATOM 424 C6 DG B 6 0.923 -8.152 -0.819 1.00 0.00 C ATOM 425 O6 DG B 6 -0.115 -8.279 -1.466 1.00 0.00 O ATOM 426 N1 DG B 6 0.858 -7.946 0.556 1.00 0.00 N ATOM 427 C2 DG B 6 1.955 -7.747 1.373 1.00 0.00 C ATOM 428 N2 DG B 6 1.744 -7.522 2.673 1.00 0.00 N ATOM 429 N3 DG B 6 3.211 -7.740 0.918 1.00 0.00 N ATOM 430 C4 DG B 6 3.300 -7.949 -0.419 1.00 0.00 C ATOM 0 H5' DG B 6 6.103 -4.909 -1.995 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.358 -3.712 -0.742 1.00 0.00 H new ATOM 0 H4' DG B 6 7.554 -5.279 0.651 1.00 0.00 H new ATOM 0 H3' DG B 6 8.813 -6.308 -1.329 1.00 0.00 H new ATOM 0 H2' DG B 6 6.672 -7.080 -2.573 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.269 -8.566 -1.860 1.00 0.00 H new ATOM 0 H1' DG B 6 5.961 -8.312 0.124 1.00 0.00 H new ATOM 0 H8 DG B 6 4.715 -8.037 -3.296 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.064 -7.942 0.992 1.00 0.00 H new ATOM 0 H21 DG B 6 2.535 -7.372 3.300 1.00 0.00 H new ATOM 0 H22 DG B 6 0.792 -7.500 3.039 1.00 0.00 H new ATOM 442 P DC B 7 9.487 -7.375 1.300 1.00 0.00 P ATOM 443 OP1 DC B 7 9.533 -5.918 1.559 1.00 0.00 O ATOM 444 OP2 DC B 7 10.741 -8.131 1.087 1.00 0.00 O ATOM 445 O5' DC B 7 8.647 -8.096 2.473 1.00 0.00 O ATOM 446 C5' DC B 7 7.578 -7.440 3.126 1.00 0.00 C ATOM 447 C4' DC B 7 6.521 -8.418 3.662 1.00 0.00 C ATOM 448 O4' DC B 7 5.623 -8.737 2.602 1.00 0.00 O ATOM 449 C3' DC B 7 7.093 -9.750 4.186 1.00 0.00 C ATOM 450 O3' DC B 7 6.482 -10.010 5.443 1.00 0.00 O ATOM 451 C2' DC B 7 6.624 -10.702 3.076 1.00 0.00 C ATOM 452 C1' DC B 7 5.264 -10.090 2.769 1.00 0.00 C ATOM 453 N1 DC B 7 4.508 -10.633 1.593 1.00 0.00 N ATOM 454 C2 DC B 7 3.112 -10.741 1.706 1.00 0.00 C ATOM 455 O2 DC B 7 2.528 -10.554 2.772 1.00 0.00 O ATOM 456 N3 DC B 7 2.381 -11.060 0.600 1.00 0.00 N ATOM 457 C4 DC B 7 2.978 -11.338 -0.565 1.00 0.00 C ATOM 458 N4 DC B 7 2.208 -11.603 -1.625 1.00 0.00 N ATOM 459 C5 DC B 7 4.408 -11.351 -0.682 1.00 0.00 C ATOM 460 C6 DC B 7 5.125 -10.996 0.413 1.00 0.00 C ATOM 0 H5' DC B 7 7.105 -6.745 2.432 1.00 0.00 H new ATOM 0 H5'' DC B 7 7.971 -6.848 3.952 1.00 0.00 H new ATOM 0 H4' DC B 7 6.042 -7.914 4.502 1.00 0.00 H new ATOM 0 H3' DC B 7 8.167 -9.810 4.359 1.00 0.00 H new ATOM 0 H2' DC B 7 7.289 -10.697 2.212 1.00 0.00 H new ATOM 0 H2'' DC B 7 6.550 -11.735 3.415 1.00 0.00 H new ATOM 0 H1' DC B 7 4.542 -10.310 3.555 1.00 0.00 H new ATOM 0 H41 DC B 7 2.636 -11.818 -2.525 1.00 0.00 H new ATOM 0 H42 DC B 7 1.192 -11.590 -1.533 1.00 0.00 H new ATOM 0 H5 DC B 7 4.894 -11.632 -1.605 1.00 0.00 H new ATOM 0 H6 DC B 7 6.204 -10.997 0.360 1.00 0.00 H new ATOM 472 P DG B 8 6.908 -11.245 6.404 1.00 0.00 P ATOM 473 OP1 DG B 8 7.581 -10.689 7.599 1.00 0.00 O ATOM 474 OP2 DG B 8 7.594 -12.271 5.587 1.00 0.00 O ATOM 475 O5' DG B 8 5.475 -11.843 6.859 1.00 0.00 O ATOM 476 C5' DG B 8 4.437 -12.010 5.913 1.00 0.00 C ATOM 477 C4' DG B 8 3.678 -13.308 6.038 1.00 0.00 C ATOM 478 O4' DG B 8 2.871 -13.190 4.897 1.00 0.00 O ATOM 479 C3' DG B 8 4.484 -14.583 5.823 1.00 0.00 C ATOM 480 O3' DG B 8 4.851 -15.184 7.046 1.00 0.00 O ATOM 481 C2' DG B 8 3.471 -15.447 5.066 1.00 0.00 C ATOM 482 C1' DG B 8 2.396 -14.456 4.596 1.00 0.00 C ATOM 483 N9 DG B 8 2.241 -14.431 3.126 1.00 0.00 N ATOM 484 C8 DG B 8 3.219 -14.206 2.190 1.00 0.00 C ATOM 485 N7 DG B 8 2.784 -14.146 0.965 1.00 0.00 N ATOM 486 C5 DG B 8 1.413 -14.324 1.095 1.00 0.00 C ATOM 487 C6 DG B 8 0.398 -14.312 0.096 1.00 0.00 C ATOM 488 O6 DG B 8 0.532 -14.129 -1.110 1.00 0.00 O ATOM 489 N1 DG B 8 -0.869 -14.540 0.625 1.00 0.00 N ATOM 490 C2 DG B 8 -1.134 -14.751 1.965 1.00 0.00 C ATOM 491 N2 DG B 8 -2.413 -14.947 2.305 1.00 0.00 N ATOM 492 N3 DG B 8 -0.181 -14.738 2.913 1.00 0.00 N ATOM 493 C4 DG B 8 1.069 -14.518 2.413 1.00 0.00 C ATOM 0 H5' DG B 8 4.862 -11.948 4.911 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.735 -11.182 6.013 1.00 0.00 H new ATOM 0 H4' DG B 8 3.241 -13.411 7.031 1.00 0.00 H new ATOM 0 H3' DG B 8 5.429 -14.427 5.302 1.00 0.00 H new ATOM 0 H2' DG B 8 3.936 -15.957 4.223 1.00 0.00 H new ATOM 0 H2'' DG B 8 3.047 -16.217 5.710 1.00 0.00 H new ATOM 0 HO3' DG B 8 5.365 -15.999 6.869 1.00 0.00 H new ATOM 0 H1' DG B 8 1.456 -14.742 5.068 1.00 0.00 H new ATOM 0 H8 DG B 8 4.261 -14.089 2.448 1.00 0.00 H new ATOM 0 H1 DG B 8 -1.658 -14.552 -0.022 1.00 0.00 H new ATOM 0 H21 DG B 8 -2.662 -15.107 3.281 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.139 -14.936 1.588 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -5.526 -4.837 4.029 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.897 -5.116 3.966 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.495 -5.345 2.719 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.732 -5.242 1.545 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.470 -4.829 0.524 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.874 -4.748 -0.902 1.00 0.00 C HETATM 513 C7 TOT A 9 -3.200 -4.753 1.004 1.00 0.00 C HETATM 514 C8 TOT A 9 -2.049 -4.659 0.097 1.00 0.00 C HETATM 515 S9 TOT A 9 -3.066 -4.776 2.647 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.743 -4.850 2.853 1.00 0.00 C HETATM 517 C11 TOT A 9 -5.340 -4.993 1.594 1.00 0.00 C HETATM 518 C12 TOT A 9 1.691 -4.688 -0.433 1.00 0.00 C HETATM 519 C13 TOT A 9 2.639 -5.072 -1.391 1.00 0.00 C HETATM 520 C14 TOT A 9 2.271 -5.242 -2.727 1.00 0.00 C HETATM 521 C15 TOT A 9 0.921 -5.199 -3.074 1.00 0.00 C HETATM 522 C16 TOT A 9 -0.061 -5.073 -2.073 1.00 0.00 C HETATM 523 C17 TOT A 9 0.305 -4.756 -0.736 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.648 -4.496 0.300 1.00 0.00 C HETATM 525 C19 TOT A 9 -0.155 -4.053 1.547 1.00 0.00 C HETATM 526 C20 TOT A 9 1.217 -3.897 1.770 1.00 0.00 C HETATM 527 N21 TOT A 9 2.130 -4.231 0.801 1.00 0.00 N HETATM 528 C22 TOT A 9 3.556 -4.041 1.175 1.00 0.00 C HETATM 529 C23 TOT A 9 3.957 -4.783 2.463 1.00 0.00 C HETATM 530 C24 TOT A 9 5.314 -4.358 3.042 1.00 0.00 C HETATM 531 N25 TOT A 9 5.289 -3.396 4.185 1.00 0.00 N HETATM 532 C26 TOT A 9 4.685 -2.084 3.822 1.00 0.00 C HETATM 533 C27 TOT A 9 5.480 -1.272 2.784 1.00 0.00 C HETATM 534 C28 TOT A 9 6.693 -3.223 4.644 1.00 0.00 C HETATM 535 C29 TOT A 9 4.526 -3.948 5.337 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.933 4.601 -6.172 1.00 0.00 C HETATM 537 C32 TOT A 9 -4.089 4.913 -6.900 1.00 0.00 C HETATM 538 C33 TOT A 9 -5.258 5.273 -6.218 1.00 0.00 C HETATM 539 C34 TOT A 9 -5.270 5.292 -4.814 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.975 4.968 -2.683 1.00 0.00 N HETATM 541 C36 TOT A 9 -5.111 5.034 -1.729 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.659 4.843 -2.364 1.00 0.00 C HETATM 543 C38 TOT A 9 -2.214 4.903 -0.962 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.652 4.632 -3.653 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.926 4.726 -4.764 1.00 0.00 C HETATM 546 C41 TOT A 9 -4.100 5.021 -4.064 1.00 0.00 C HETATM 547 C42 TOT A 9 0.475 4.816 1.683 1.00 0.00 C HETATM 548 C43 TOT A 9 0.722 5.321 2.967 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.331 5.644 3.816 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.642 5.478 3.362 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.891 5.205 1.999 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.818 4.914 1.111 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.966 4.708 -0.301 1.00 0.00 C HETATM 554 C49 TOT A 9 0.182 4.298 -1.022 1.00 0.00 C HETATM 555 C50 TOT A 9 1.392 4.033 -0.367 1.00 0.00 C HETATM 556 N51 TOT A 9 1.514 4.233 0.981 1.00 0.00 N HETATM 557 C52 TOT A 9 2.789 3.823 1.608 1.00 0.00 C HETATM 558 C53 TOT A 9 3.305 2.412 1.269 1.00 0.00 C HETATM 559 C54 TOT A 9 4.800 2.312 1.632 1.00 0.00 C HETATM 560 N55 TOT A 9 5.391 0.947 1.516 1.00 0.00 N HETATM 561 C56 TOT A 9 4.748 0.054 2.526 1.00 0.00 C HETATM 562 C58 TOT A 9 6.848 1.091 1.777 1.00 0.00 C HETATM 563 C59 TOT A 9 5.214 0.405 0.142 1.00 0.00 C HETATM 0 H593 TOT A 9 4.151 0.347 -0.092 1.00 0.00 H new HETATM 0 H592 TOT A 9 5.708 1.062 -0.575 1.00 0.00 H new HETATM 0 H591 TOT A 9 5.654 -0.591 0.084 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.284 1.767 1.042 1.00 0.00 H new HETATM 0 H582 TOT A 9 7.000 1.496 2.777 1.00 0.00 H new HETATM 0 H581 TOT A 9 7.329 0.116 1.704 1.00 0.00 H new HETATM 0 H562 TOT A 9 3.732 -0.167 2.198 1.00 0.00 H new HETATM 0 H561 TOT A 9 4.668 0.596 3.468 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.360 2.989 0.987 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.933 2.663 2.655 1.00 0.00 H new HETATM 0 H532 TOT A 9 2.735 1.663 1.819 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.163 2.206 0.208 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.556 4.543 1.322 1.00 0.00 H new HETATM 0 H521 TOT A 9 2.674 3.892 2.690 1.00 0.00 H new HETATM 0 H363 TOT A 9 -5.138 4.122 -1.132 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.985 5.894 -1.072 1.00 0.00 H new HETATM 0 H361 TOT A 9 -6.045 5.134 -2.282 1.00 0.00 H new HETATM 0 H293 TOT A 9 3.500 -4.150 5.030 1.00 0.00 H new HETATM 0 H292 TOT A 9 4.993 -4.874 5.673 1.00 0.00 H new HETATM 0 H291 TOT A 9 4.526 -3.225 6.153 1.00 0.00 H new HETATM 0 H283 TOT A 9 7.093 -4.186 4.962 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.298 -2.831 3.826 1.00 0.00 H new HETATM 0 H281 TOT A 9 6.719 -2.525 5.481 1.00 0.00 H new HETATM 0 H272 TOT A 9 6.490 -1.081 3.147 1.00 0.00 H new HETATM 0 H271 TOT A 9 5.576 -1.837 1.857 1.00 0.00 H new HETATM 0 H262 TOT A 9 3.681 -2.257 3.435 1.00 0.00 H new HETATM 0 H261 TOT A 9 4.579 -1.486 4.727 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.841 -5.256 3.365 1.00 0.00 H new HETATM 0 H241 TOT A 9 5.902 -3.915 2.238 1.00 0.00 H new HETATM 0 H232 TOT A 9 3.187 -4.620 3.217 1.00 0.00 H new HETATM 0 H231 TOT A 9 3.982 -5.853 2.259 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.187 -4.385 0.356 1.00 0.00 H new HETATM 0 H221 TOT A 9 3.751 -2.976 1.303 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.325 -4.729 -0.955 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.561 -3.789 -1.315 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.400 -5.555 -1.461 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.957 -4.840 -0.979 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.245 3.664 -0.937 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.123 4.187 -2.105 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.914 5.217 1.624 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.474 5.559 4.061 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.137 6.021 4.820 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.749 5.462 3.303 1.00 0.00 H new HETATM 0 H4 TOT A 9 -7.221 -5.356 0.578 1.00 0.00 H new HETATM 0 H38 TOT A 9 -3.021 5.153 -0.274 1.00 0.00 H new HETATM 0 H34 TOT A 9 -6.199 5.520 -4.291 1.00 0.00 H new HETATM 0 H33 TOT A 9 -6.156 5.538 -6.776 1.00 0.00 H new HETATM 0 H32 TOT A 9 -4.078 4.876 -7.989 1.00 0.00 H new HETATM 0 H31 TOT A 9 -2.038 4.261 -6.692 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.552 -5.603 2.661 1.00 0.00 H new HETATM 0 H20 TOT A 9 1.566 -3.505 2.726 1.00 0.00 H new HETATM 0 H2 TOT A 9 -7.493 -5.155 4.878 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.857 -3.829 2.350 1.00 0.00 H new HETATM 0 H16 TOT A 9 -1.111 -5.220 -2.325 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.626 -5.263 -4.121 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.031 -5.407 -3.491 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.673 -5.240 -1.090 1.00 0.00 H new HETATM 0 H1 TOT A 9 -5.062 -4.609 4.988 1.00 0.00 H new