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 -34:sc= 0.00415 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 -31:sc= 0.00334 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.332 -18.138 -4.537 1.00 0.00 O ATOM 2 C5' DC A 1 -9.144 -16.786 -4.174 1.00 0.00 C ATOM 3 C4' DC A 1 -8.852 -16.676 -2.673 1.00 0.00 C ATOM 4 O4' DC A 1 -7.623 -17.342 -2.428 1.00 0.00 O ATOM 5 C3' DC A 1 -8.687 -15.210 -2.246 1.00 0.00 C ATOM 6 O3' DC A 1 -9.548 -14.969 -1.150 1.00 0.00 O ATOM 7 C2' DC A 1 -7.212 -15.131 -1.867 1.00 0.00 C ATOM 8 C1' DC A 1 -6.843 -16.564 -1.539 1.00 0.00 C ATOM 9 N1 DC A 1 -5.398 -16.747 -1.837 1.00 0.00 N ATOM 10 C2 DC A 1 -4.479 -16.428 -0.836 1.00 0.00 C ATOM 11 O2 DC A 1 -4.846 -16.161 0.307 1.00 0.00 O ATOM 12 N3 DC A 1 -3.152 -16.414 -1.153 1.00 0.00 N ATOM 13 C4 DC A 1 -2.729 -16.676 -2.399 1.00 0.00 C ATOM 14 N4 DC A 1 -1.422 -16.597 -2.661 1.00 0.00 N ATOM 15 C5 DC A 1 -3.660 -16.956 -3.456 1.00 0.00 C ATOM 16 C6 DC A 1 -4.973 -16.970 -3.127 1.00 0.00 C ATOM 0 H5' DC A 1 -10.034 -16.208 -4.422 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.319 -16.360 -4.745 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.680 -17.113 -2.114 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.942 -14.467 -3.002 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.609 -14.741 -2.687 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.054 -14.472 -1.013 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.754 -18.708 -3.988 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.020 -16.836 -0.498 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.078 -16.792 -3.601 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.768 -16.342 -1.921 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.328 -17.146 -4.466 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.706 -17.161 -3.897 1.00 0.00 H new ATOM 29 P DG A 2 -9.718 -13.506 -0.490 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.918 -13.528 0.373 1.00 0.00 O ATOM 31 OP2 DG A 2 -9.600 -12.487 -1.557 1.00 0.00 O ATOM 32 O5' DG A 2 -8.421 -13.393 0.458 1.00 0.00 O ATOM 33 C5' DG A 2 -8.084 -14.414 1.377 1.00 0.00 C ATOM 34 C4' DG A 2 -7.386 -13.836 2.618 1.00 0.00 C ATOM 35 O4' DG A 2 -6.034 -13.603 2.261 1.00 0.00 O ATOM 36 C3' DG A 2 -7.979 -12.504 3.086 1.00 0.00 C ATOM 37 O3' DG A 2 -7.823 -12.425 4.496 1.00 0.00 O ATOM 38 C2' DG A 2 -7.077 -11.518 2.352 1.00 0.00 C ATOM 39 C1' DG A 2 -5.724 -12.233 2.436 1.00 0.00 C ATOM 40 N9 DG A 2 -4.783 -11.914 1.328 1.00 0.00 N ATOM 41 C8 DG A 2 -5.034 -11.834 -0.024 1.00 0.00 C ATOM 42 N7 DG A 2 -3.980 -11.595 -0.752 1.00 0.00 N ATOM 43 C5 DG A 2 -2.945 -11.519 0.171 1.00 0.00 C ATOM 44 C6 DG A 2 -1.556 -11.264 -0.035 1.00 0.00 C ATOM 45 O6 DG A 2 -0.970 -11.076 -1.097 1.00 0.00 O ATOM 46 N1 DG A 2 -0.837 -11.238 1.156 1.00 0.00 N ATOM 47 C2 DG A 2 -1.385 -11.468 2.403 1.00 0.00 C ATOM 48 N2 DG A 2 -0.561 -11.378 3.452 1.00 0.00 N ATOM 49 N3 DG A 2 -2.688 -11.737 2.595 1.00 0.00 N ATOM 50 C4 DG A 2 -3.419 -11.738 1.445 1.00 0.00 C ATOM 0 H5' DG A 2 -7.430 -15.140 0.894 1.00 0.00 H new ATOM 0 H5'' DG A 2 -8.985 -14.947 1.679 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.507 -14.548 3.434 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.038 -12.341 2.886 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.395 -11.358 1.322 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.057 -10.541 2.835 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.248 -11.942 3.372 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.021 -11.959 -0.445 1.00 0.00 H new ATOM 0 H1 DG A 2 0.161 -11.036 1.105 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.916 -11.539 4.395 1.00 0.00 H new ATOM 0 H22 DG A 2 0.423 -11.149 3.310 1.00 0.00 H new ATOM 62 P DC A 3 -8.226 -11.113 5.354 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.469 -11.534 6.751 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.278 -10.378 4.618 1.00 0.00 O ATOM 65 O5' DC A 3 -6.875 -10.225 5.320 1.00 0.00 O ATOM 66 C5' DC A 3 -5.715 -10.629 6.024 1.00 0.00 C ATOM 67 C4' DC A 3 -4.541 -9.658 5.833 1.00 0.00 C ATOM 68 O4' DC A 3 -4.048 -9.904 4.535 1.00 0.00 O ATOM 69 C3' DC A 3 -4.871 -8.152 5.868 1.00 0.00 C ATOM 70 O3' DC A 3 -4.537 -7.537 7.098 1.00 0.00 O ATOM 71 C2' DC A 3 -4.038 -7.599 4.709 1.00 0.00 C ATOM 72 C1' DC A 3 -3.239 -8.800 4.221 1.00 0.00 C ATOM 73 N1 DC A 3 -3.075 -8.696 2.763 1.00 0.00 N ATOM 74 C2 DC A 3 -1.875 -8.218 2.244 1.00 0.00 C ATOM 75 O2 DC A 3 -0.882 -8.075 2.953 1.00 0.00 O ATOM 76 N3 DC A 3 -1.825 -7.909 0.918 1.00 0.00 N ATOM 77 C4 DC A 3 -2.918 -7.981 0.146 1.00 0.00 C ATOM 78 N4 DC A 3 -2.771 -7.801 -1.170 1.00 0.00 N ATOM 79 C5 DC A 3 -4.187 -8.341 0.712 1.00 0.00 C ATOM 80 C6 DC A 3 -4.195 -8.729 1.990 1.00 0.00 C ATOM 0 H5' DC A 3 -5.418 -11.623 5.688 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.948 -10.708 7.086 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.863 -9.841 6.667 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.939 -7.958 5.772 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.672 -7.194 3.920 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.384 -6.792 5.038 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.248 -8.873 4.669 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.583 -7.850 -1.785 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.847 -7.615 -1.559 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.096 -8.300 0.130 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.120 -9.080 2.424 1.00 0.00 H new ATOM 92 P DT A 4 -5.035 -6.036 7.469 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.846 -5.861 8.926 1.00 0.00 O ATOM 94 OP2 DT A 4 -6.376 -5.823 6.881 1.00 0.00 O ATOM 95 O5' DT A 4 -4.009 -5.040 6.711 1.00 0.00 O ATOM 96 C5' DT A 4 -3.875 -3.688 7.119 1.00 0.00 C ATOM 97 C4' DT A 4 -2.749 -2.971 6.363 1.00 0.00 C ATOM 98 O4' DT A 4 -3.092 -2.865 5.002 1.00 0.00 O ATOM 99 C3' DT A 4 -2.543 -1.529 6.852 1.00 0.00 C ATOM 100 O3' DT A 4 -1.329 -1.468 7.582 1.00 0.00 O ATOM 101 C2' DT A 4 -2.503 -0.702 5.559 1.00 0.00 C ATOM 102 C1' DT A 4 -2.346 -1.781 4.495 1.00 0.00 C ATOM 103 N1 DT A 4 -2.904 -1.430 3.162 1.00 0.00 N ATOM 104 C2 DT A 4 -2.008 -1.284 2.109 1.00 0.00 C ATOM 105 O2 DT A 4 -0.797 -1.157 2.271 1.00 0.00 O ATOM 106 N3 DT A 4 -2.555 -1.289 0.837 1.00 0.00 N ATOM 107 C4 DT A 4 -3.899 -1.383 0.518 1.00 0.00 C ATOM 108 O4 DT A 4 -4.246 -1.426 -0.660 1.00 0.00 O ATOM 109 C5 DT A 4 -4.777 -1.421 1.675 1.00 0.00 C ATOM 110 C7 DT A 4 -6.279 -1.468 1.474 1.00 0.00 C ATOM 111 C6 DT A 4 -4.262 -1.440 2.932 1.00 0.00 C ATOM 0 H5' DT A 4 -3.675 -3.650 8.190 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.816 -3.163 6.952 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.845 -3.557 6.530 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.319 -1.159 7.522 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.414 -0.121 5.419 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.671 0.002 5.551 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.285 -1.966 4.325 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.902 -1.216 0.057 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.740 -2.004 2.303 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.673 -0.452 1.434 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.505 -1.982 0.540 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.937 -1.464 3.775 1.00 0.00 H new ATOM 124 P DA A 5 -0.851 -0.133 8.356 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.024 -0.544 9.512 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.034 0.729 8.574 1.00 0.00 O ATOM 127 O5' DA A 5 0.103 0.606 7.286 1.00 0.00 O ATOM 128 C5' DA A 5 1.424 0.171 7.032 1.00 0.00 C ATOM 129 C4' DA A 5 2.252 1.071 6.126 1.00 0.00 C ATOM 130 O4' DA A 5 1.633 1.084 4.847 1.00 0.00 O ATOM 131 C3' DA A 5 2.211 2.464 6.736 1.00 0.00 C ATOM 132 O3' DA A 5 3.334 3.246 6.402 1.00 0.00 O ATOM 133 C2' DA A 5 1.029 3.001 5.970 1.00 0.00 C ATOM 134 C1' DA A 5 1.174 2.392 4.574 1.00 0.00 C ATOM 135 N9 DA A 5 -0.117 2.254 3.847 1.00 0.00 N ATOM 136 C8 DA A 5 -1.421 2.437 4.260 1.00 0.00 C ATOM 137 N7 DA A 5 -2.312 2.312 3.316 1.00 0.00 N ATOM 138 C5 DA A 5 -1.555 1.994 2.199 1.00 0.00 C ATOM 139 C6 DA A 5 -1.886 1.736 0.854 1.00 0.00 C ATOM 140 N6 DA A 5 -3.135 1.795 0.378 1.00 0.00 N ATOM 141 N1 DA A 5 -0.894 1.389 0.017 1.00 0.00 N ATOM 142 C2 DA A 5 0.352 1.319 0.474 1.00 0.00 C ATOM 143 N3 DA A 5 0.794 1.556 1.701 1.00 0.00 N ATOM 144 C4 DA A 5 -0.225 1.901 2.528 1.00 0.00 C ATOM 0 H5' DA A 5 1.380 -0.822 6.585 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.943 0.069 7.985 1.00 0.00 H new ATOM 0 H4' DA A 5 3.282 0.730 6.028 1.00 0.00 H new ATOM 0 H3' DA A 5 2.173 2.468 7.825 1.00 0.00 H new ATOM 0 H2' DA A 5 0.088 2.709 6.435 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.041 4.090 5.932 1.00 0.00 H new ATOM 0 H1' DA A 5 1.816 3.017 3.953 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.683 2.665 5.283 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.315 1.598 -0.606 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.907 2.037 1.000 1.00 0.00 H new ATOM 0 H2 DA A 5 1.102 1.032 -0.248 1.00 0.00 H new ATOM 156 P DG A 6 4.810 3.080 7.053 1.00 0.00 P ATOM 157 OP1 DG A 6 5.422 1.836 6.532 1.00 0.00 O ATOM 158 OP2 DG A 6 4.724 3.322 8.509 1.00 0.00 O ATOM 159 O5' DG A 6 5.541 4.343 6.348 1.00 0.00 O ATOM 160 C5' DG A 6 4.943 4.883 5.187 1.00 0.00 C ATOM 161 C4' DG A 6 5.747 5.794 4.275 1.00 0.00 C ATOM 162 O4' DG A 6 4.793 6.353 3.386 1.00 0.00 O ATOM 163 C3' DG A 6 6.412 6.933 5.029 1.00 0.00 C ATOM 164 O3' DG A 6 7.650 7.137 4.357 1.00 0.00 O ATOM 165 C2' DG A 6 5.305 7.993 4.980 1.00 0.00 C ATOM 166 C1' DG A 6 4.672 7.743 3.614 1.00 0.00 C ATOM 167 N9 DG A 6 3.245 8.115 3.436 1.00 0.00 N ATOM 168 C8 DG A 6 2.279 8.536 4.326 1.00 0.00 C ATOM 169 N7 DG A 6 1.111 8.740 3.784 1.00 0.00 N ATOM 170 C5 DG A 6 1.293 8.409 2.446 1.00 0.00 C ATOM 171 C6 DG A 6 0.350 8.315 1.376 1.00 0.00 C ATOM 172 O6 DG A 6 -0.856 8.550 1.397 1.00 0.00 O ATOM 173 N1 DG A 6 0.942 7.894 0.190 1.00 0.00 N ATOM 174 C2 DG A 6 2.268 7.536 0.054 1.00 0.00 C ATOM 175 N2 DG A 6 2.686 7.149 -1.154 1.00 0.00 N ATOM 176 N3 DG A 6 3.138 7.575 1.069 1.00 0.00 N ATOM 177 C4 DG A 6 2.594 8.026 2.230 1.00 0.00 C ATOM 0 H5' DG A 6 4.061 5.438 5.505 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.593 4.046 4.583 1.00 0.00 H new ATOM 0 H4' DG A 6 6.541 5.229 3.787 1.00 0.00 H new ATOM 0 H3' DG A 6 6.714 6.844 6.072 1.00 0.00 H new ATOM 0 H2' DG A 6 4.586 7.868 5.790 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.706 9.003 5.063 1.00 0.00 H new ATOM 0 H1' DG A 6 5.197 8.392 2.913 1.00 0.00 H new ATOM 0 H8 DG A 6 2.473 8.684 5.378 1.00 0.00 H new ATOM 0 H1 DG A 6 0.352 7.846 -0.641 1.00 0.00 H new ATOM 0 H21 DG A 6 3.659 6.877 -1.294 1.00 0.00 H new ATOM 0 H22 DG A 6 2.032 7.126 -1.937 1.00 0.00 H new ATOM 189 P DC A 7 8.361 8.552 4.037 1.00 0.00 P ATOM 190 OP1 DC A 7 9.801 8.294 3.816 1.00 0.00 O ATOM 191 OP2 DC A 7 7.947 9.561 5.037 1.00 0.00 O ATOM 192 O5' DC A 7 7.699 8.912 2.611 1.00 0.00 O ATOM 193 C5' DC A 7 7.846 8.040 1.501 1.00 0.00 C ATOM 194 C4' DC A 7 7.165 8.591 0.241 1.00 0.00 C ATOM 195 O4' DC A 7 5.787 8.786 0.550 1.00 0.00 O ATOM 196 C3' DC A 7 7.751 9.947 -0.184 1.00 0.00 C ATOM 197 O3' DC A 7 7.797 9.999 -1.606 1.00 0.00 O ATOM 198 C2' DC A 7 6.688 10.867 0.407 1.00 0.00 C ATOM 199 C1' DC A 7 5.436 10.066 0.076 1.00 0.00 C ATOM 200 N1 DC A 7 4.168 10.596 0.668 1.00 0.00 N ATOM 201 C2 DC A 7 3.026 10.651 -0.144 1.00 0.00 C ATOM 202 O2 DC A 7 3.053 10.333 -1.331 1.00 0.00 O ATOM 203 N3 DC A 7 1.851 11.071 0.404 1.00 0.00 N ATOM 204 C4 DC A 7 1.778 11.477 1.678 1.00 0.00 C ATOM 205 N4 DC A 7 0.590 11.848 2.164 1.00 0.00 N ATOM 206 C5 DC A 7 2.948 11.504 2.507 1.00 0.00 C ATOM 207 C6 DC A 7 4.103 11.062 1.965 1.00 0.00 C ATOM 0 H5' DC A 7 7.421 7.067 1.746 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.906 7.884 1.301 1.00 0.00 H new ATOM 0 H4' DC A 7 7.317 7.884 -0.575 1.00 0.00 H new ATOM 0 H3' DC A 7 8.765 10.182 0.140 1.00 0.00 H new ATOM 0 H2' DC A 7 6.816 11.018 1.479 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.686 11.854 -0.056 1.00 0.00 H new ATOM 0 H1' DC A 7 5.186 10.097 -0.984 1.00 0.00 H new ATOM 0 H41 DC A 7 0.510 12.161 3.132 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.237 11.818 1.567 1.00 0.00 H new ATOM 0 H5 DC A 7 2.907 11.864 3.525 1.00 0.00 H new ATOM 0 H6 DC A 7 5.002 11.074 2.564 1.00 0.00 H new ATOM 219 P DG A 8 8.446 11.237 -2.430 1.00 0.00 P ATOM 220 OP1 DG A 8 9.651 10.738 -3.129 1.00 0.00 O ATOM 221 OP2 DG A 8 8.555 12.406 -1.530 1.00 0.00 O ATOM 222 O5' DG A 8 7.317 11.564 -3.545 1.00 0.00 O ATOM 223 C5' DG A 8 5.966 11.763 -3.177 1.00 0.00 C ATOM 224 C4' DG A 8 5.368 13.054 -3.682 1.00 0.00 C ATOM 225 O4' DG A 8 4.086 12.967 -3.112 1.00 0.00 O ATOM 226 C3' DG A 8 5.950 14.335 -3.099 1.00 0.00 C ATOM 227 O3' DG A 8 6.939 14.893 -3.937 1.00 0.00 O ATOM 228 C2' DG A 8 4.704 15.223 -3.045 1.00 0.00 C ATOM 229 C1' DG A 8 3.533 14.240 -3.194 1.00 0.00 C ATOM 230 N9 DG A 8 2.593 14.313 -2.059 1.00 0.00 N ATOM 231 C8 DG A 8 2.880 14.139 -0.730 1.00 0.00 C ATOM 232 N7 DG A 8 1.845 14.222 0.055 1.00 0.00 N ATOM 233 C5 DG A 8 0.786 14.453 -0.816 1.00 0.00 C ATOM 234 C6 DG A 8 -0.605 14.608 -0.543 1.00 0.00 C ATOM 235 O6 DG A 8 -1.174 14.551 0.544 1.00 0.00 O ATOM 236 N1 DG A 8 -1.347 14.852 -1.696 1.00 0.00 N ATOM 237 C2 DG A 8 -0.819 14.907 -2.972 1.00 0.00 C ATOM 238 N2 DG A 8 -1.675 15.120 -3.978 1.00 0.00 N ATOM 239 N3 DG A 8 0.490 14.749 -3.232 1.00 0.00 N ATOM 240 C4 DG A 8 1.236 14.528 -2.115 1.00 0.00 C ATOM 0 H5' DG A 8 5.891 11.742 -2.090 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.373 10.930 -3.553 1.00 0.00 H new ATOM 0 H4' DG A 8 5.497 13.127 -4.762 1.00 0.00 H new ATOM 0 H3' DG A 8 6.453 14.198 -2.142 1.00 0.00 H new ATOM 0 H2' DG A 8 4.646 15.771 -2.105 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.707 15.963 -3.846 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.287 15.714 -3.530 1.00 0.00 H new ATOM 0 H1' DG A 8 3.008 14.467 -4.122 1.00 0.00 H new ATOM 0 H8 DG A 8 3.879 13.949 -0.366 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.351 15.001 -1.591 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.332 15.169 -4.938 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.670 15.234 -3.785 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -10.779 17.839 -1.418 1.00 0.00 O ATOM 255 C5' DC B 1 -10.372 16.501 -1.612 1.00 0.00 C ATOM 256 C4' DC B 1 -9.316 16.420 -2.720 1.00 0.00 C ATOM 257 O4' DC B 1 -8.173 17.132 -2.272 1.00 0.00 O ATOM 258 C3' DC B 1 -8.895 14.965 -2.977 1.00 0.00 C ATOM 259 O3' DC B 1 -9.029 14.698 -4.360 1.00 0.00 O ATOM 260 C2' DC B 1 -7.444 14.946 -2.509 1.00 0.00 C ATOM 261 C1' DC B 1 -7.010 16.396 -2.600 1.00 0.00 C ATOM 262 N1 DC B 1 -5.954 16.628 -1.579 1.00 0.00 N ATOM 263 C2 DC B 1 -4.629 16.362 -1.932 1.00 0.00 C ATOM 264 O2 DC B 1 -4.321 16.094 -3.092 1.00 0.00 O ATOM 265 N3 DC B 1 -3.677 16.403 -0.958 1.00 0.00 N ATOM 266 C4 DC B 1 -3.995 16.668 0.318 1.00 0.00 C ATOM 267 N4 DC B 1 -3.025 16.651 1.238 1.00 0.00 N ATOM 268 C5 DC B 1 -5.356 16.892 0.714 1.00 0.00 C ATOM 269 C6 DC B 1 -6.293 16.852 -0.264 1.00 0.00 C ATOM 0 H5' DC B 1 -11.233 15.887 -1.876 1.00 0.00 H new ATOM 0 H5'' DC B 1 -9.966 16.099 -0.684 1.00 0.00 H new ATOM 0 H4' DC B 1 -9.728 16.834 -3.640 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.488 14.207 -2.465 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.358 14.567 -1.491 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.829 14.305 -3.141 1.00 0.00 H new ATOM 0 HO5' DC B 1 -10.033 18.441 -1.621 1.00 0.00 H new ATOM 0 H1' DC B 1 -6.613 16.675 -3.576 1.00 0.00 H new ATOM 0 H41 DC B 1 -3.244 16.850 2.214 1.00 0.00 H new ATOM 0 H42 DC B 1 -2.066 16.439 0.964 1.00 0.00 H new ATOM 0 H5 DC B 1 -5.621 17.083 1.743 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.331 16.999 -0.005 1.00 0.00 H new ATOM 282 P DG B 2 -8.766 13.234 -4.985 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.324 13.214 -6.355 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.197 12.213 -4.004 1.00 0.00 O ATOM 285 O5' DG B 2 -7.160 13.177 -5.098 1.00 0.00 O ATOM 286 C5' DG B 2 -6.425 14.224 -5.702 1.00 0.00 C ATOM 287 C4' DG B 2 -5.133 13.697 -6.344 1.00 0.00 C ATOM 288 O4' DG B 2 -4.194 13.526 -5.293 1.00 0.00 O ATOM 289 C3' DG B 2 -5.302 12.343 -7.040 1.00 0.00 C ATOM 290 O3' DG B 2 -4.397 12.296 -8.135 1.00 0.00 O ATOM 291 C2' DG B 2 -4.898 11.394 -5.919 1.00 0.00 C ATOM 292 C1' DG B 2 -3.762 12.180 -5.259 1.00 0.00 C ATOM 293 N9 DG B 2 -3.559 11.880 -3.817 1.00 0.00 N ATOM 294 C8 DG B 2 -4.498 11.767 -2.814 1.00 0.00 C ATOM 295 N7 DG B 2 -3.994 11.565 -1.629 1.00 0.00 N ATOM 296 C5 DG B 2 -2.623 11.547 -1.846 1.00 0.00 C ATOM 297 C6 DG B 2 -1.554 11.352 -0.922 1.00 0.00 C ATOM 298 O6 DG B 2 -1.621 11.195 0.295 1.00 0.00 O ATOM 299 N1 DG B 2 -0.309 11.349 -1.542 1.00 0.00 N ATOM 300 C2 DG B 2 -0.108 11.564 -2.890 1.00 0.00 C ATOM 301 N2 DG B 2 1.152 11.496 -3.335 1.00 0.00 N ATOM 302 N3 DG B 2 -1.111 11.794 -3.754 1.00 0.00 N ATOM 303 C4 DG B 2 -2.344 11.757 -3.177 1.00 0.00 C ATOM 0 H5' DG B 2 -6.181 14.979 -4.955 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.038 14.712 -6.460 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.819 14.412 -7.105 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.288 12.121 -7.449 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.719 11.199 -5.229 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.564 10.428 -6.298 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.836 11.939 -5.782 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.560 11.840 -2.995 1.00 0.00 H new ATOM 0 H1 DG B 2 0.511 11.176 -0.961 1.00 0.00 H new ATOM 0 H21 DG B 2 1.353 11.647 -4.324 1.00 0.00 H new ATOM 0 H22 DG B 2 1.912 11.293 -2.686 1.00 0.00 H new ATOM 315 P DC B 3 -4.181 10.975 -9.044 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.671 11.405 -10.365 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.405 10.146 -8.965 1.00 0.00 O ATOM 318 O5' DC B 3 -2.993 10.193 -8.274 1.00 0.00 O ATOM 319 C5' DC B 3 -1.676 10.713 -8.244 1.00 0.00 C ATOM 320 C4' DC B 3 -0.714 9.825 -7.442 1.00 0.00 C ATOM 321 O4' DC B 3 -1.065 9.999 -6.089 1.00 0.00 O ATOM 322 C3' DC B 3 -0.794 8.308 -7.709 1.00 0.00 C ATOM 323 O3' DC B 3 0.313 7.842 -8.460 1.00 0.00 O ATOM 324 C2' DC B 3 -0.824 7.717 -6.298 1.00 0.00 C ATOM 325 C1' DC B 3 -0.496 8.909 -5.410 1.00 0.00 C ATOM 326 N1 DC B 3 -1.145 8.733 -4.101 1.00 0.00 N ATOM 327 C2 DC B 3 -0.392 8.296 -3.013 1.00 0.00 C ATOM 328 O2 DC B 3 0.831 8.197 -3.080 1.00 0.00 O ATOM 329 N3 DC B 3 -1.051 7.979 -1.864 1.00 0.00 N ATOM 330 C4 DC B 3 -2.387 8.004 -1.796 1.00 0.00 C ATOM 331 N4 DC B 3 -2.963 7.827 -0.603 1.00 0.00 N ATOM 332 C5 DC B 3 -3.167 8.317 -2.959 1.00 0.00 C ATOM 333 C6 DC B 3 -2.505 8.711 -4.052 1.00 0.00 C ATOM 0 H5' DC B 3 -1.693 11.712 -7.808 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.306 10.816 -9.264 1.00 0.00 H new ATOM 0 H4' DC B 3 0.292 10.130 -7.729 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.658 8.023 -8.309 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.800 7.295 -6.060 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.094 6.916 -6.182 1.00 0.00 H new ATOM 0 H1' DC B 3 0.572 9.036 -5.232 1.00 0.00 H new ATOM 0 H41 DC B 3 -3.980 7.841 -0.520 1.00 0.00 H new ATOM 0 H42 DC B 3 -2.386 7.678 0.225 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.244 8.238 -2.952 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.066 9.021 -4.921 1.00 0.00 H new ATOM 345 P DT B 4 0.310 6.391 -9.187 1.00 0.00 P ATOM 346 OP1 DT B 4 1.290 6.451 -10.294 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.091 6.011 -9.479 1.00 0.00 O ATOM 348 O5' DT B 4 0.875 5.343 -8.095 1.00 0.00 O ATOM 349 C5' DT B 4 1.109 3.993 -8.466 1.00 0.00 C ATOM 350 C4' DT B 4 1.660 3.176 -7.294 1.00 0.00 C ATOM 351 O4' DT B 4 0.649 3.085 -6.315 1.00 0.00 O ATOM 352 C3' DT B 4 1.975 1.729 -7.707 1.00 0.00 C ATOM 353 O3' DT B 4 3.380 1.550 -7.786 1.00 0.00 O ATOM 354 C2' DT B 4 1.323 0.887 -6.605 1.00 0.00 C ATOM 355 C1' DT B 4 0.918 1.923 -5.564 1.00 0.00 C ATOM 356 N1 DT B 4 -0.322 1.568 -4.824 1.00 0.00 N ATOM 357 C2 DT B 4 -0.235 1.406 -3.444 1.00 0.00 C ATOM 358 O2 DT B 4 0.829 1.381 -2.832 1.00 0.00 O ATOM 359 N3 DT B 4 -1.438 1.275 -2.770 1.00 0.00 N ATOM 360 C4 DT B 4 -2.704 1.287 -3.330 1.00 0.00 C ATOM 361 O4 DT B 4 -3.693 1.223 -2.605 1.00 0.00 O ATOM 362 C5 DT B 4 -2.707 1.377 -4.778 1.00 0.00 C ATOM 363 C7 DT B 4 -4.026 1.343 -5.524 1.00 0.00 C ATOM 364 C6 DT B 4 -1.540 1.510 -5.464 1.00 0.00 C ATOM 0 H5' DT B 4 1.814 3.960 -9.297 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.180 3.545 -8.818 1.00 0.00 H new ATOM 0 H4' DT B 4 2.567 3.667 -6.941 1.00 0.00 H new ATOM 0 H3' DT B 4 1.595 1.449 -8.690 1.00 0.00 H new ATOM 0 H2' DT B 4 0.461 0.334 -6.978 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.018 0.155 -6.194 1.00 0.00 H new ATOM 0 H1' DT B 4 1.706 2.021 -4.818 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.386 1.158 -1.758 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.939 1.921 -6.444 1.00 0.00 H new ATOM 0 H72 DT B 4 -4.280 0.311 -5.767 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.809 1.772 -4.899 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.569 1.572 -6.542 1.00 0.00 H new ATOM 377 P DA B 5 4.053 0.151 -8.250 1.00 0.00 P ATOM 378 OP1 DA B 5 5.368 0.453 -8.857 1.00 0.00 O ATOM 379 OP2 DA B 5 3.049 -0.617 -9.021 1.00 0.00 O ATOM 380 O5' DA B 5 4.305 -0.623 -6.858 1.00 0.00 O ATOM 381 C5' DA B 5 5.280 -0.179 -5.936 1.00 0.00 C ATOM 382 C4' DA B 5 5.331 -0.925 -4.612 1.00 0.00 C ATOM 383 O4' DA B 5 4.026 -0.848 -4.054 1.00 0.00 O ATOM 384 C3' DA B 5 5.678 -2.381 -4.896 1.00 0.00 C ATOM 385 O3' DA B 5 6.294 -3.023 -3.795 1.00 0.00 O ATOM 386 C2' DA B 5 4.275 -2.915 -5.042 1.00 0.00 C ATOM 387 C1' DA B 5 3.525 -2.161 -3.950 1.00 0.00 C ATOM 388 N9 DA B 5 2.055 -2.126 -4.131 1.00 0.00 N ATOM 389 C8 DA B 5 1.279 -2.329 -5.248 1.00 0.00 C ATOM 390 N7 DA B 5 -0.008 -2.282 -5.026 1.00 0.00 N ATOM 391 C5 DA B 5 -0.096 -2.022 -3.666 1.00 0.00 C ATOM 392 C6 DA B 5 -1.181 -1.863 -2.776 1.00 0.00 C ATOM 393 N6 DA B 5 -2.466 -1.953 -3.138 1.00 0.00 N ATOM 394 N1 DA B 5 -0.909 -1.588 -1.490 1.00 0.00 N ATOM 395 C2 DA B 5 0.359 -1.489 -1.101 1.00 0.00 C ATOM 396 N3 DA B 5 1.460 -1.629 -1.823 1.00 0.00 N ATOM 397 C4 DA B 5 1.159 -1.900 -3.119 1.00 0.00 C ATOM 0 H5' DA B 5 5.103 0.876 -5.729 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.259 -0.251 -6.409 1.00 0.00 H new ATOM 0 H4' DA B 5 6.072 -0.504 -3.932 1.00 0.00 H new ATOM 0 H3' DA B 5 6.370 -2.523 -5.726 1.00 0.00 H new ATOM 0 H2' DA B 5 3.864 -2.713 -6.031 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.233 -3.994 -4.893 1.00 0.00 H new ATOM 0 H1' DA B 5 3.678 -2.647 -2.987 1.00 0.00 H new ATOM 0 H8 DA B 5 1.698 -2.512 -6.226 1.00 0.00 H new ATOM 0 H61 DA B 5 -3.202 -1.827 -2.443 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.710 -2.147 -4.109 1.00 0.00 H new ATOM 0 H2 DA B 5 0.511 -1.264 -0.056 1.00 0.00 H new ATOM 409 P DG B 6 7.813 -2.729 -3.309 1.00 0.00 P ATOM 410 OP1 DG B 6 7.820 -1.475 -2.523 1.00 0.00 O ATOM 411 OP2 DG B 6 8.722 -2.888 -4.466 1.00 0.00 O ATOM 412 O5' DG B 6 8.057 -3.961 -2.286 1.00 0.00 O ATOM 413 C5' DG B 6 6.960 -4.451 -1.547 1.00 0.00 C ATOM 414 C4' DG B 6 7.236 -5.421 -0.401 1.00 0.00 C ATOM 415 O4' DG B 6 5.986 -6.026 -0.107 1.00 0.00 O ATOM 416 C3' DG B 6 8.205 -6.530 -0.768 1.00 0.00 C ATOM 417 O3' DG B 6 8.929 -6.784 0.432 1.00 0.00 O ATOM 418 C2' DG B 6 7.238 -7.574 -1.334 1.00 0.00 C ATOM 419 C1' DG B 6 6.015 -7.401 -0.436 1.00 0.00 C ATOM 420 N9 DG B 6 4.689 -7.769 -1.010 1.00 0.00 N ATOM 421 C8 DG B 6 4.314 -8.126 -2.288 1.00 0.00 C ATOM 422 N7 DG B 6 3.042 -8.363 -2.430 1.00 0.00 N ATOM 423 C5 DG B 6 2.513 -8.115 -1.174 1.00 0.00 C ATOM 424 C6 DG B 6 1.151 -8.084 -0.746 1.00 0.00 C ATOM 425 O6 DG B 6 0.141 -8.326 -1.405 1.00 0.00 O ATOM 426 N1 DG B 6 1.031 -7.726 0.592 1.00 0.00 N ATOM 427 C2 DG B 6 2.085 -7.380 1.412 1.00 0.00 C ATOM 428 N2 DG B 6 1.800 -7.083 2.683 1.00 0.00 N ATOM 429 N3 DG B 6 3.360 -7.363 0.997 1.00 0.00 N ATOM 430 C4 DG B 6 3.509 -7.744 -0.301 1.00 0.00 C ATOM 0 H5' DG B 6 6.283 -4.944 -2.244 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.426 -3.594 -1.136 1.00 0.00 H new ATOM 0 H4' DG B 6 7.682 -4.871 0.428 1.00 0.00 H new ATOM 0 H3' DG B 6 8.994 -6.396 -1.508 1.00 0.00 H new ATOM 0 H2' DG B 6 7.004 -7.386 -2.382 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.647 -8.583 -1.275 1.00 0.00 H new ATOM 0 H1' DG B 6 6.138 -8.091 0.399 1.00 0.00 H new ATOM 0 H8 DG B 6 5.018 -8.203 -3.104 1.00 0.00 H new ATOM 0 H1 DG B 6 0.095 -7.719 0.997 1.00 0.00 H new ATOM 0 H21 DG B 6 2.548 -6.822 3.326 1.00 0.00 H new ATOM 0 H22 DG B 6 0.835 -7.118 3.011 1.00 0.00 H new ATOM 442 P DC B 7 9.418 -8.219 0.991 1.00 0.00 P ATOM 443 OP1 DC B 7 10.555 -7.983 1.907 1.00 0.00 O ATOM 444 OP2 DC B 7 9.571 -9.171 -0.131 1.00 0.00 O ATOM 445 O5' DC B 7 8.147 -8.652 1.885 1.00 0.00 O ATOM 446 C5' DC B 7 7.704 -7.833 2.956 1.00 0.00 C ATOM 447 C4' DC B 7 6.472 -8.411 3.664 1.00 0.00 C ATOM 448 O4' DC B 7 5.450 -8.588 2.686 1.00 0.00 O ATOM 449 C3' DC B 7 6.762 -9.781 4.298 1.00 0.00 C ATOM 450 O3' DC B 7 6.058 -9.865 5.533 1.00 0.00 O ATOM 451 C2' DC B 7 6.169 -10.677 3.215 1.00 0.00 C ATOM 452 C1' DC B 7 4.919 -9.881 2.868 1.00 0.00 C ATOM 453 N1 DC B 7 4.154 -10.393 1.687 1.00 0.00 N ATOM 454 C2 DC B 7 2.758 -10.499 1.789 1.00 0.00 C ATOM 455 O2 DC B 7 2.159 -10.247 2.832 1.00 0.00 O ATOM 456 N3 DC B 7 2.049 -10.896 0.695 1.00 0.00 N ATOM 457 C4 DC B 7 2.659 -11.231 -0.449 1.00 0.00 C ATOM 458 N4 DC B 7 1.908 -11.587 -1.497 1.00 0.00 N ATOM 459 C5 DC B 7 4.088 -11.205 -0.556 1.00 0.00 C ATOM 460 C6 DC B 7 4.783 -10.790 0.526 1.00 0.00 C ATOM 0 H5' DC B 7 7.468 -6.839 2.576 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.512 -7.715 3.678 1.00 0.00 H new ATOM 0 H4' DC B 7 6.176 -7.723 4.456 1.00 0.00 H new ATOM 0 H3' DC B 7 7.797 -10.018 4.544 1.00 0.00 H new ATOM 0 H2' DC B 7 6.837 -10.797 2.362 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.938 -11.677 3.582 1.00 0.00 H new ATOM 0 H1' DC B 7 4.151 -9.940 3.639 1.00 0.00 H new ATOM 0 H41 DC B 7 2.352 -11.846 -2.378 1.00 0.00 H new ATOM 0 H42 DC B 7 0.891 -11.600 -1.415 1.00 0.00 H new ATOM 0 H5 DC B 7 4.589 -11.505 -1.465 1.00 0.00 H new ATOM 0 H6 DC B 7 5.862 -10.769 0.480 1.00 0.00 H new ATOM 472 P DG B 8 6.195 -11.123 6.549 1.00 0.00 P ATOM 473 OP1 DG B 8 6.855 -10.642 7.782 1.00 0.00 O ATOM 474 OP2 DG B 8 6.767 -12.272 5.812 1.00 0.00 O ATOM 475 O5' DG B 8 4.652 -11.470 6.905 1.00 0.00 O ATOM 476 C5' DG B 8 3.693 -11.659 5.884 1.00 0.00 C ATOM 477 C4' DG B 8 2.932 -12.960 5.975 1.00 0.00 C ATOM 478 O4' DG B 8 2.138 -12.857 4.821 1.00 0.00 O ATOM 479 C3' DG B 8 3.745 -14.229 5.760 1.00 0.00 C ATOM 480 O3' DG B 8 4.150 -14.810 6.981 1.00 0.00 O ATOM 481 C2' DG B 8 2.721 -15.112 5.041 1.00 0.00 C ATOM 482 C1' DG B 8 1.637 -14.129 4.574 1.00 0.00 C ATOM 483 N9 DG B 8 1.434 -14.176 3.113 1.00 0.00 N ATOM 484 C8 DG B 8 2.374 -13.976 2.136 1.00 0.00 C ATOM 485 N7 DG B 8 1.909 -14.052 0.922 1.00 0.00 N ATOM 486 C5 DG B 8 0.555 -14.309 1.104 1.00 0.00 C ATOM 487 C6 DG B 8 -0.480 -14.482 0.137 1.00 0.00 C ATOM 488 O6 DG B 8 -0.392 -14.414 -1.086 1.00 0.00 O ATOM 489 N1 DG B 8 -1.711 -14.760 0.723 1.00 0.00 N ATOM 490 C2 DG B 8 -1.933 -14.831 2.086 1.00 0.00 C ATOM 491 N2 DG B 8 -3.184 -15.082 2.488 1.00 0.00 N ATOM 492 N3 DG B 8 -0.962 -14.656 2.999 1.00 0.00 N ATOM 493 C4 DG B 8 0.254 -14.403 2.443 1.00 0.00 C ATOM 0 H5' DG B 8 4.195 -11.613 4.918 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.982 -10.834 5.913 1.00 0.00 H new ATOM 0 H4' DG B 8 2.477 -13.058 6.961 1.00 0.00 H new ATOM 0 H3' DG B 8 4.676 -14.072 5.215 1.00 0.00 H new ATOM 0 H2' DG B 8 3.171 -15.638 4.199 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.311 -15.870 5.708 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.668 -15.622 6.801 1.00 0.00 H new ATOM 0 H1' DG B 8 0.705 -14.374 5.084 1.00 0.00 H new ATOM 0 H8 DG B 8 3.412 -13.773 2.354 1.00 0.00 H new ATOM 0 H1 DG B 8 -2.505 -14.923 0.104 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.397 -15.144 3.484 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.925 -15.212 1.799 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -5.476 -4.695 3.627 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.853 -4.944 3.555 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.433 -5.241 2.315 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.655 -5.206 1.147 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.375 -4.859 0.139 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.754 -4.859 -1.298 1.00 0.00 C HETATM 513 C7 TOT A 9 -3.112 -4.757 0.632 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.950 -4.696 -0.263 1.00 0.00 C HETATM 515 S9 TOT A 9 -3.003 -4.712 2.276 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.681 -4.768 2.462 1.00 0.00 C HETATM 517 C11 TOT A 9 -5.262 -4.963 1.202 1.00 0.00 C HETATM 518 C12 TOT A 9 1.802 -4.653 -0.732 1.00 0.00 C HETATM 519 C13 TOT A 9 2.776 -5.077 -1.651 1.00 0.00 C HETATM 520 C14 TOT A 9 2.435 -5.363 -2.974 1.00 0.00 C HETATM 521 C15 TOT A 9 1.090 -5.350 -3.352 1.00 0.00 C HETATM 522 C16 TOT A 9 0.088 -5.171 -2.379 1.00 0.00 C HETATM 523 C17 TOT A 9 0.423 -4.780 -1.054 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.556 -4.498 -0.047 1.00 0.00 C HETATM 525 C19 TOT A 9 -0.096 -3.995 1.188 1.00 0.00 C HETATM 526 C20 TOT A 9 1.258 -3.741 1.405 1.00 0.00 C HETATM 527 N21 TOT A 9 2.198 -4.099 0.482 1.00 0.00 N HETATM 528 C22 TOT A 9 3.597 -3.818 0.880 1.00 0.00 C HETATM 529 C23 TOT A 9 3.959 -4.045 2.360 1.00 0.00 C HETATM 530 C24 TOT A 9 5.482 -4.115 2.564 1.00 0.00 C HETATM 531 N25 TOT A 9 5.981 -3.492 3.825 1.00 0.00 N HETATM 532 C26 TOT A 9 5.693 -2.025 3.925 1.00 0.00 C HETATM 533 C27 TOT A 9 6.041 -1.212 2.664 1.00 0.00 C HETATM 534 C28 TOT A 9 7.449 -3.717 3.887 1.00 0.00 C HETATM 535 C29 TOT A 9 5.372 -4.173 4.998 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.390 4.653 -5.999 1.00 0.00 C HETATM 537 C32 TOT A 9 -3.569 4.882 -6.719 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.762 5.123 -6.025 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.773 5.094 -4.622 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.451 4.809 -2.499 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.578 4.792 -1.530 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.127 4.746 -2.188 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.687 4.733 -0.785 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.105 4.689 -3.481 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.388 4.729 -4.588 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.584 4.895 -3.879 1.00 0.00 C HETATM 547 C42 TOT A 9 1.024 4.883 1.839 1.00 0.00 C HETATM 548 C43 TOT A 9 1.249 5.399 3.126 1.00 0.00 C HETATM 549 C44 TOT A 9 0.186 5.745 3.952 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.119 5.623 3.470 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.344 5.330 2.109 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.268 4.957 1.256 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.421 4.653 -0.136 1.00 0.00 C HETATM 554 C49 TOT A 9 0.734 4.259 -0.851 1.00 0.00 C HETATM 555 C50 TOT A 9 1.957 4.067 -0.197 1.00 0.00 C HETATM 556 N51 TOT A 9 2.081 4.315 1.144 1.00 0.00 N HETATM 557 C52 TOT A 9 3.381 3.966 1.762 1.00 0.00 C HETATM 558 C53 TOT A 9 3.942 2.560 1.458 1.00 0.00 C HETATM 559 C54 TOT A 9 5.434 2.496 1.849 1.00 0.00 C HETATM 560 N55 TOT A 9 6.082 1.157 1.713 1.00 0.00 N HETATM 561 C56 TOT A 9 5.647 0.266 2.833 1.00 0.00 C HETATM 562 C58 TOT A 9 7.551 1.379 1.796 1.00 0.00 C HETATM 563 C59 TOT A 9 5.778 0.566 0.383 1.00 0.00 C HETATM 0 H593 TOT A 9 4.700 0.451 0.274 1.00 0.00 H new HETATM 0 H592 TOT A 9 6.154 1.223 -0.402 1.00 0.00 H new HETATM 0 H591 TOT A 9 6.258 -0.409 0.300 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.865 2.044 0.991 1.00 0.00 H new HETATM 0 H582 TOT A 9 7.797 1.832 2.757 1.00 0.00 H new HETATM 0 H581 TOT A 9 8.069 0.425 1.701 1.00 0.00 H new HETATM 0 H562 TOT A 9 4.563 0.331 2.932 1.00 0.00 H new HETATM 0 H561 TOT A 9 6.075 0.639 3.764 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.983 3.209 1.234 1.00 0.00 H new HETATM 0 H541 TOT A 9 5.534 2.824 2.884 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.379 1.807 2.010 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.824 2.333 0.398 1.00 0.00 H new HETATM 0 H522 TOT A 9 4.118 4.702 1.441 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.281 4.065 2.843 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.550 3.866 -0.955 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.489 5.642 -0.854 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.523 4.855 -2.070 1.00 0.00 H new HETATM 0 H293 TOT A 9 4.287 -4.076 4.953 1.00 0.00 H new HETATM 0 H292 TOT A 9 5.642 -5.229 4.986 1.00 0.00 H new HETATM 0 H291 TOT A 9 5.739 -3.715 5.916 1.00 0.00 H new HETATM 0 H283 TOT A 9 7.653 -4.788 3.886 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.925 -3.256 3.021 1.00 0.00 H new HETATM 0 H281 TOT A 9 7.847 -3.273 4.799 1.00 0.00 H new HETATM 0 H272 TOT A 9 7.110 -1.286 2.463 1.00 0.00 H new HETATM 0 H271 TOT A 9 5.524 -1.633 1.802 1.00 0.00 H new HETATM 0 H262 TOT A 9 4.634 -1.891 4.146 1.00 0.00 H new HETATM 0 H261 TOT A 9 6.249 -1.616 4.769 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.787 -5.161 2.548 1.00 0.00 H new HETATM 0 H241 TOT A 9 5.969 -3.628 1.719 1.00 0.00 H new HETATM 0 H232 TOT A 9 3.547 -3.237 2.964 1.00 0.00 H new HETATM 0 H231 TOT A 9 3.501 -4.970 2.710 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.254 -4.439 0.271 1.00 0.00 H new HETATM 0 H221 TOT A 9 3.818 -2.780 0.632 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.208 -4.830 -1.313 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.432 -3.925 -1.759 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.272 -5.697 -1.801 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.836 -4.954 -1.389 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.821 3.716 -0.762 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.671 4.102 -1.928 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.355 5.390 1.705 1.00 0.00 H new HETATM 0 H45 TOT A 9 -1.964 5.754 4.146 1.00 0.00 H new HETATM 0 H44 TOT A 9 0.369 6.107 4.964 1.00 0.00 H new HETATM 0 H43 TOT A 9 2.271 5.530 3.482 1.00 0.00 H new HETATM 0 H4 TOT A 9 -7.132 -5.369 0.181 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.517 4.800 -0.082 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.717 5.227 -4.093 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.680 5.333 -6.574 1.00 0.00 H new HETATM 0 H32 TOT A 9 -3.559 4.873 -7.809 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.468 4.415 -6.530 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.490 -5.500 2.257 1.00 0.00 H new HETATM 0 H20 TOT A 9 1.571 -3.249 2.326 1.00 0.00 H new HETATM 0 H2 TOT A 9 -7.467 -4.907 4.455 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.812 -3.801 1.987 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.956 -5.334 -2.645 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.817 -5.478 -4.399 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.210 -5.594 -3.705 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.811 -5.184 -1.327 1.00 0.00 H new HETATM 0 H1 TOT A 9 -5.018 -4.445 4.584 1.00 0.00 H new