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= 0.00232 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 -37:sc= 0.00332 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.039 -17.879 -4.107 1.00 0.00 O ATOM 2 C5' DC A 1 -9.805 -16.535 -3.743 1.00 0.00 C ATOM 3 C4' DC A 1 -9.408 -16.446 -2.264 1.00 0.00 C ATOM 4 O4' DC A 1 -8.178 -17.136 -2.109 1.00 0.00 O ATOM 5 C3' DC A 1 -9.189 -14.990 -1.830 1.00 0.00 C ATOM 6 O3' DC A 1 -9.964 -14.758 -0.670 1.00 0.00 O ATOM 7 C2' DC A 1 -7.689 -14.935 -1.562 1.00 0.00 C ATOM 8 C1' DC A 1 -7.322 -16.378 -1.275 1.00 0.00 C ATOM 9 N1 DC A 1 -5.906 -16.586 -1.682 1.00 0.00 N ATOM 10 C2 DC A 1 -4.908 -16.299 -0.750 1.00 0.00 C ATOM 11 O2 DC A 1 -5.185 -16.029 0.417 1.00 0.00 O ATOM 12 N3 DC A 1 -3.609 -16.323 -1.162 1.00 0.00 N ATOM 13 C4 DC A 1 -3.286 -16.586 -2.437 1.00 0.00 C ATOM 14 N4 DC A 1 -1.998 -16.547 -2.793 1.00 0.00 N ATOM 15 C5 DC A 1 -4.298 -16.826 -3.426 1.00 0.00 C ATOM 16 C6 DC A 1 -5.584 -16.806 -3.002 1.00 0.00 C ATOM 0 H5' DC A 1 -10.701 -15.941 -3.922 1.00 0.00 H new ATOM 0 H5'' DC A 1 -9.014 -16.115 -4.365 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.205 -16.875 -1.657 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.486 -14.231 -2.553 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.143 -14.546 -2.421 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.457 -14.287 -0.717 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.434 -18.464 -3.604 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.427 -16.654 -0.226 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.729 -16.744 -3.757 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.284 -16.321 -2.100 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.046 -17.014 -4.459 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.377 -16.967 -3.718 1.00 0.00 H new ATOM 29 P DG A 2 -10.068 -13.304 0.022 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.197 -13.331 0.978 1.00 0.00 O ATOM 31 OP2 DG A 2 -10.026 -12.270 -1.035 1.00 0.00 O ATOM 32 O5' DG A 2 -8.699 -13.217 0.865 1.00 0.00 O ATOM 33 C5' DG A 2 -8.305 -14.247 1.751 1.00 0.00 C ATOM 34 C4' DG A 2 -7.525 -13.679 2.948 1.00 0.00 C ATOM 35 O4' DG A 2 -6.197 -13.451 2.505 1.00 0.00 O ATOM 36 C3' DG A 2 -8.079 -12.345 3.456 1.00 0.00 C ATOM 37 O3' DG A 2 -7.829 -12.261 4.853 1.00 0.00 O ATOM 38 C2' DG A 2 -7.224 -11.365 2.662 1.00 0.00 C ATOM 39 C1' DG A 2 -5.870 -12.082 2.659 1.00 0.00 C ATOM 40 N9 DG A 2 -4.996 -11.770 1.494 1.00 0.00 N ATOM 41 C8 DG A 2 -5.331 -11.692 0.159 1.00 0.00 C ATOM 42 N7 DG A 2 -4.320 -11.494 -0.638 1.00 0.00 N ATOM 43 C5 DG A 2 -3.225 -11.446 0.213 1.00 0.00 C ATOM 44 C6 DG A 2 -1.840 -11.264 -0.089 1.00 0.00 C ATOM 45 O6 DG A 2 -1.318 -11.121 -1.192 1.00 0.00 O ATOM 46 N1 DG A 2 -1.042 -11.260 1.049 1.00 0.00 N ATOM 47 C2 DG A 2 -1.515 -11.448 2.334 1.00 0.00 C ATOM 48 N2 DG A 2 -0.616 -11.400 3.322 1.00 0.00 N ATOM 49 N3 DG A 2 -2.814 -11.652 2.616 1.00 0.00 N ATOM 50 C4 DG A 2 -3.621 -11.632 1.519 1.00 0.00 C ATOM 0 H5' DG A 2 -7.686 -14.971 1.220 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.186 -14.781 2.107 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.597 -14.394 3.767 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.149 -12.180 3.330 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.608 -11.207 1.654 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.170 -10.386 3.139 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.334 -11.788 3.562 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.346 -11.787 -0.196 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.041 -11.108 0.928 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.913 -11.532 4.289 1.00 0.00 H new ATOM 0 H22 DG A 2 0.367 -11.231 3.109 1.00 0.00 H new ATOM 62 P DC A 3 -8.171 -10.943 5.732 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.326 -11.362 7.143 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.266 -10.205 5.064 1.00 0.00 O ATOM 65 O5' DC A 3 -6.822 -10.059 5.611 1.00 0.00 O ATOM 66 C5' DC A 3 -5.620 -10.477 6.231 1.00 0.00 C ATOM 67 C4' DC A 3 -4.443 -9.539 5.924 1.00 0.00 C ATOM 68 O4' DC A 3 -4.114 -9.786 4.577 1.00 0.00 O ATOM 69 C3' DC A 3 -4.706 -8.022 6.013 1.00 0.00 C ATOM 70 O3' DC A 3 -4.201 -7.441 7.202 1.00 0.00 O ATOM 71 C2' DC A 3 -3.988 -7.487 4.772 1.00 0.00 C ATOM 72 C1' DC A 3 -3.297 -8.713 4.192 1.00 0.00 C ATOM 73 N1 DC A 3 -3.270 -8.603 2.727 1.00 0.00 N ATOM 74 C2 DC A 3 -2.098 -8.205 2.094 1.00 0.00 C ATOM 75 O2 DC A 3 -1.039 -8.112 2.709 1.00 0.00 O ATOM 76 N3 DC A 3 -2.150 -7.918 0.763 1.00 0.00 N ATOM 77 C4 DC A 3 -3.310 -7.931 0.094 1.00 0.00 C ATOM 78 N4 DC A 3 -3.281 -7.769 -1.231 1.00 0.00 N ATOM 79 C5 DC A 3 -4.539 -8.201 0.780 1.00 0.00 C ATOM 80 C6 DC A 3 -4.456 -8.568 2.060 1.00 0.00 C ATOM 0 H5' DC A 3 -5.374 -11.485 5.897 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.769 -10.526 7.310 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.685 -9.752 6.678 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.769 -7.783 6.044 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.690 -7.050 4.061 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.270 -6.708 5.030 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.269 -8.829 4.537 1.00 0.00 H new ATOM 0 H41 DC A 3 -4.150 -7.775 -1.765 1.00 0.00 H new ATOM 0 H42 DC A 3 -2.390 -7.639 -1.710 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.493 -8.111 0.281 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.359 -8.846 2.584 1.00 0.00 H new ATOM 92 P DT A 4 -4.605 -5.938 7.667 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.342 -5.848 9.120 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.961 -5.634 7.157 1.00 0.00 O ATOM 95 O5' DT A 4 -3.574 -4.939 6.918 1.00 0.00 O ATOM 96 C5' DT A 4 -3.403 -3.606 7.376 1.00 0.00 C ATOM 97 C4' DT A 4 -2.304 -2.851 6.617 1.00 0.00 C ATOM 98 O4' DT A 4 -2.623 -2.764 5.247 1.00 0.00 O ATOM 99 C3' DT A 4 -2.169 -1.399 7.102 1.00 0.00 C ATOM 100 O3' DT A 4 -0.961 -1.270 7.834 1.00 0.00 O ATOM 101 C2' DT A 4 -2.173 -0.575 5.808 1.00 0.00 C ATOM 102 C1' DT A 4 -1.924 -1.643 4.749 1.00 0.00 C ATOM 103 N1 DT A 4 -2.477 -1.336 3.402 1.00 0.00 N ATOM 104 C2 DT A 4 -1.593 -1.307 2.324 1.00 0.00 C ATOM 105 O2 DT A 4 -0.372 -1.265 2.454 1.00 0.00 O ATOM 106 N3 DT A 4 -2.166 -1.328 1.062 1.00 0.00 N ATOM 107 C4 DT A 4 -3.520 -1.320 0.775 1.00 0.00 C ATOM 108 O4 DT A 4 -3.900 -1.361 -0.394 1.00 0.00 O ATOM 109 C5 DT A 4 -4.375 -1.262 1.948 1.00 0.00 C ATOM 110 C7 DT A 4 -5.881 -1.210 1.777 1.00 0.00 C ATOM 111 C6 DT A 4 -3.838 -1.272 3.195 1.00 0.00 C ATOM 0 H5' DT A 4 -3.160 -3.620 8.438 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.345 -3.068 7.272 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.382 -3.406 6.791 1.00 0.00 H new ATOM 0 H3' DT A 4 -2.963 -1.069 7.772 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.122 -0.062 5.654 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.395 0.188 5.808 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.851 -1.761 4.601 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.527 -1.352 0.267 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.361 -1.687 2.631 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.204 -0.171 1.713 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.162 -1.734 0.864 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.497 -1.229 4.050 1.00 0.00 H new ATOM 124 P DA A 5 -0.574 0.085 8.625 1.00 0.00 P ATOM 125 OP1 DA A 5 0.260 -0.286 9.790 1.00 0.00 O ATOM 126 OP2 DA A 5 -1.810 0.872 8.833 1.00 0.00 O ATOM 127 O5' DA A 5 0.348 0.887 7.574 1.00 0.00 O ATOM 128 C5' DA A 5 1.705 0.554 7.366 1.00 0.00 C ATOM 129 C4' DA A 5 2.479 1.493 6.454 1.00 0.00 C ATOM 130 O4' DA A 5 1.891 1.413 5.162 1.00 0.00 O ATOM 131 C3' DA A 5 2.304 2.892 7.021 1.00 0.00 C ATOM 132 O3' DA A 5 3.382 3.742 6.711 1.00 0.00 O ATOM 133 C2' DA A 5 1.112 3.315 6.201 1.00 0.00 C ATOM 134 C1' DA A 5 1.337 2.670 4.833 1.00 0.00 C ATOM 135 N9 DA A 5 0.080 2.422 4.075 1.00 0.00 N ATOM 136 C8 DA A 5 -1.242 2.592 4.432 1.00 0.00 C ATOM 137 N7 DA A 5 -2.096 2.395 3.467 1.00 0.00 N ATOM 138 C5 DA A 5 -1.294 2.036 2.396 1.00 0.00 C ATOM 139 C6 DA A 5 -1.571 1.711 1.053 1.00 0.00 C ATOM 140 N6 DA A 5 -2.803 1.741 0.531 1.00 0.00 N ATOM 141 N1 DA A 5 -0.546 1.339 0.266 1.00 0.00 N ATOM 142 C2 DA A 5 0.684 1.310 0.770 1.00 0.00 C ATOM 143 N3 DA A 5 1.076 1.622 1.999 1.00 0.00 N ATOM 144 C4 DA A 5 0.025 1.988 2.775 1.00 0.00 C ATOM 0 H5' DA A 5 1.754 -0.452 6.948 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.205 0.522 8.334 1.00 0.00 H new ATOM 0 H4' DA A 5 3.537 1.241 6.389 1.00 0.00 H new ATOM 0 H3' DA A 5 2.218 2.926 8.107 1.00 0.00 H new ATOM 0 H2' DA A 5 0.180 2.974 6.652 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.050 4.400 6.122 1.00 0.00 H new ATOM 0 H1' DA A 5 1.948 3.317 4.203 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.545 2.866 5.432 1.00 0.00 H new ATOM 0 H61 DA A 5 -2.948 1.496 -0.448 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.597 2.009 1.113 1.00 0.00 H new ATOM 0 H2 DA A 5 1.463 0.992 0.093 1.00 0.00 H new ATOM 156 P DG A 6 4.797 3.751 7.503 1.00 0.00 P ATOM 157 OP1 DG A 6 5.573 2.558 7.095 1.00 0.00 O ATOM 158 OP2 DG A 6 4.544 4.027 8.934 1.00 0.00 O ATOM 159 O5' DG A 6 5.476 5.059 6.828 1.00 0.00 O ATOM 160 C5' DG A 6 4.915 5.546 5.629 1.00 0.00 C ATOM 161 C4' DG A 6 5.697 6.533 4.777 1.00 0.00 C ATOM 162 O4' DG A 6 4.769 7.004 3.818 1.00 0.00 O ATOM 163 C3' DG A 6 6.192 7.723 5.584 1.00 0.00 C ATOM 164 O3' DG A 6 7.455 8.055 5.016 1.00 0.00 O ATOM 165 C2' DG A 6 4.992 8.669 5.455 1.00 0.00 C ATOM 166 C1' DG A 6 4.497 8.373 4.042 1.00 0.00 C ATOM 167 N9 DG A 6 3.060 8.600 3.754 1.00 0.00 N ATOM 168 C8 DG A 6 1.999 8.941 4.564 1.00 0.00 C ATOM 169 N7 DG A 6 0.859 9.033 3.937 1.00 0.00 N ATOM 170 C5 DG A 6 1.165 8.691 2.626 1.00 0.00 C ATOM 171 C6 DG A 6 0.313 8.483 1.499 1.00 0.00 C ATOM 172 O6 DG A 6 -0.906 8.628 1.426 1.00 0.00 O ATOM 173 N1 DG A 6 1.019 8.060 0.378 1.00 0.00 N ATOM 174 C2 DG A 6 2.376 7.813 0.345 1.00 0.00 C ATOM 175 N2 DG A 6 2.903 7.403 -0.812 1.00 0.00 N ATOM 176 N3 DG A 6 3.169 7.972 1.410 1.00 0.00 N ATOM 177 C4 DG A 6 2.507 8.416 2.512 1.00 0.00 C ATOM 0 H5' DG A 6 3.964 6.016 5.882 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.688 4.684 5.002 1.00 0.00 H new ATOM 0 H4' DG A 6 6.574 6.049 4.348 1.00 0.00 H new ATOM 0 H3' DG A 6 6.424 7.652 6.647 1.00 0.00 H new ATOM 0 H2' DG A 6 4.229 8.463 6.205 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.282 9.713 5.574 1.00 0.00 H new ATOM 0 H1' DG A 6 5.011 9.079 3.390 1.00 0.00 H new ATOM 0 H8 DG A 6 2.102 9.117 5.625 1.00 0.00 H new ATOM 0 H1 DG A 6 0.494 7.922 -0.485 1.00 0.00 H new ATOM 0 H21 DG A 6 3.902 7.210 -0.877 1.00 0.00 H new ATOM 0 H22 DG A 6 2.306 7.283 -1.630 1.00 0.00 H new ATOM 189 P DC A 7 8.033 9.536 4.723 1.00 0.00 P ATOM 190 OP1 DC A 7 9.505 9.431 4.613 1.00 0.00 O ATOM 191 OP2 DC A 7 7.444 10.504 5.673 1.00 0.00 O ATOM 192 O5' DC A 7 7.447 9.814 3.246 1.00 0.00 O ATOM 193 C5' DC A 7 7.760 8.949 2.166 1.00 0.00 C ATOM 194 C4' DC A 7 7.121 9.413 0.852 1.00 0.00 C ATOM 195 O4' DC A 7 5.712 9.478 1.059 1.00 0.00 O ATOM 196 C3' DC A 7 7.604 10.813 0.437 1.00 0.00 C ATOM 197 O3' DC A 7 7.751 10.839 -0.979 1.00 0.00 O ATOM 198 C2' DC A 7 6.416 11.638 0.924 1.00 0.00 C ATOM 199 C1' DC A 7 5.275 10.709 0.530 1.00 0.00 C ATOM 200 N1 DC A 7 3.921 11.116 1.019 1.00 0.00 N ATOM 201 C2 DC A 7 2.838 11.025 0.131 1.00 0.00 C ATOM 202 O2 DC A 7 2.980 10.671 -1.037 1.00 0.00 O ATOM 203 N3 DC A 7 1.591 11.340 0.582 1.00 0.00 N ATOM 204 C4 DC A 7 1.389 11.773 1.833 1.00 0.00 C ATOM 205 N4 DC A 7 0.138 12.036 2.222 1.00 0.00 N ATOM 206 C5 DC A 7 2.486 11.935 2.742 1.00 0.00 C ATOM 207 C6 DC A 7 3.717 11.602 2.294 1.00 0.00 C ATOM 0 H5' DC A 7 7.418 7.941 2.399 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.842 8.898 2.044 1.00 0.00 H new ATOM 0 H4' DC A 7 7.398 8.711 0.065 1.00 0.00 H new ATOM 0 H3' DC A 7 8.562 11.153 0.830 1.00 0.00 H new ATOM 0 H2' DC A 7 6.450 11.826 1.997 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.352 12.609 0.433 1.00 0.00 H new ATOM 0 H1' DC A 7 5.102 10.700 -0.546 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.042 12.367 3.170 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.636 11.906 1.571 1.00 0.00 H new ATOM 0 H5 DC A 7 2.335 12.308 3.744 1.00 0.00 H new ATOM 0 H6 DC A 7 4.565 11.720 2.953 1.00 0.00 H new ATOM 219 P DG A 8 8.338 12.116 -1.787 1.00 0.00 P ATOM 220 OP1 DG A 8 9.633 11.721 -2.385 1.00 0.00 O ATOM 221 OP2 DG A 8 8.270 13.309 -0.913 1.00 0.00 O ATOM 222 O5' DG A 8 7.267 12.310 -2.987 1.00 0.00 O ATOM 223 C5' DG A 8 5.880 12.385 -2.722 1.00 0.00 C ATOM 224 C4' DG A 8 5.202 13.607 -3.296 1.00 0.00 C ATOM 225 O4' DG A 8 3.894 13.404 -2.826 1.00 0.00 O ATOM 226 C3' DG A 8 5.613 14.944 -2.693 1.00 0.00 C ATOM 227 O3' DG A 8 6.609 15.583 -3.460 1.00 0.00 O ATOM 228 C2' DG A 8 4.288 15.709 -2.756 1.00 0.00 C ATOM 229 C1' DG A 8 3.232 14.616 -2.979 1.00 0.00 C ATOM 230 N9 DG A 8 2.197 14.616 -1.925 1.00 0.00 N ATOM 231 C8 DG A 8 2.389 14.487 -0.574 1.00 0.00 C ATOM 232 N7 DG A 8 1.288 14.487 0.123 1.00 0.00 N ATOM 233 C5 DG A 8 0.290 14.612 -0.836 1.00 0.00 C ATOM 234 C6 DG A 8 -1.128 14.649 -0.681 1.00 0.00 C ATOM 235 O6 DG A 8 -1.777 14.562 0.357 1.00 0.00 O ATOM 236 N1 DG A 8 -1.791 14.805 -1.895 1.00 0.00 N ATOM 237 C2 DG A 8 -1.165 14.887 -3.126 1.00 0.00 C ATOM 238 N2 DG A 8 -1.950 15.003 -4.202 1.00 0.00 N ATOM 239 N3 DG A 8 0.170 14.842 -3.276 1.00 0.00 N ATOM 240 C4 DG A 8 0.837 14.707 -2.095 1.00 0.00 C ATOM 0 H5' DG A 8 5.727 12.372 -1.643 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.397 11.494 -3.123 1.00 0.00 H new ATOM 0 H4' DG A 8 5.407 13.680 -4.364 1.00 0.00 H new ATOM 0 H3' DG A 8 6.049 14.868 -1.697 1.00 0.00 H new ATOM 0 H2' DG A 8 4.102 16.260 -1.834 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.286 16.436 -3.568 1.00 0.00 H new ATOM 0 HO3' DG A 8 6.845 16.438 -3.043 1.00 0.00 H new ATOM 0 H1' DG A 8 2.767 14.777 -3.952 1.00 0.00 H new ATOM 0 H8 DG A 8 3.367 14.394 -0.126 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.809 14.863 -1.876 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.535 15.067 -5.132 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.964 15.028 -4.093 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -11.439 16.939 -2.467 1.00 0.00 O ATOM 255 C5' DC B 1 -10.903 15.638 -2.585 1.00 0.00 C ATOM 256 C4' DC B 1 -9.756 15.623 -3.602 1.00 0.00 C ATOM 257 O4' DC B 1 -8.719 16.446 -3.088 1.00 0.00 O ATOM 258 C3' DC B 1 -9.190 14.206 -3.776 1.00 0.00 C ATOM 259 O3' DC B 1 -9.185 13.893 -5.155 1.00 0.00 O ATOM 260 C2' DC B 1 -7.786 14.329 -3.193 1.00 0.00 C ATOM 261 C1' DC B 1 -7.474 15.808 -3.299 1.00 0.00 C ATOM 262 N1 DC B 1 -6.530 16.161 -2.204 1.00 0.00 N ATOM 263 C2 DC B 1 -5.163 16.006 -2.442 1.00 0.00 C ATOM 264 O2 DC B 1 -4.738 15.739 -3.564 1.00 0.00 O ATOM 265 N3 DC B 1 -4.301 16.154 -1.396 1.00 0.00 N ATOM 266 C4 DC B 1 -4.744 16.418 -0.158 1.00 0.00 C ATOM 267 N4 DC B 1 -3.856 16.507 0.835 1.00 0.00 N ATOM 268 C5 DC B 1 -6.148 16.531 0.120 1.00 0.00 C ATOM 269 C6 DC B 1 -6.994 16.386 -0.928 1.00 0.00 C ATOM 0 H5' DC B 1 -11.683 14.943 -2.897 1.00 0.00 H new ATOM 0 H5'' DC B 1 -10.542 15.297 -1.615 1.00 0.00 H new ATOM 0 H4' DC B 1 -10.126 15.975 -4.565 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.755 13.411 -3.289 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.752 13.987 -2.159 1.00 0.00 H new ATOM 0 H2'' DC B 1 -7.068 13.728 -3.751 1.00 0.00 H new ATOM 0 HO5' DC B 1 -10.717 17.598 -2.534 1.00 0.00 H new ATOM 0 H1' DC B 1 -7.024 16.095 -4.250 1.00 0.00 H new ATOM 0 H41 DC B 1 -4.171 16.707 1.784 1.00 0.00 H new ATOM 0 H42 DC B 1 -2.863 16.375 0.644 1.00 0.00 H new ATOM 0 H5 DC B 1 -6.513 16.723 1.118 1.00 0.00 H new ATOM 0 H6 DC B 1 -8.059 16.448 -0.758 1.00 0.00 H new ATOM 282 P DG B 2 -8.747 12.441 -5.709 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.181 12.338 -7.120 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.174 11.413 -4.734 1.00 0.00 O ATOM 285 O5' DG B 2 -7.139 12.520 -5.684 1.00 0.00 O ATOM 286 C5' DG B 2 -6.443 13.609 -6.262 1.00 0.00 C ATOM 287 C4' DG B 2 -5.058 13.179 -6.766 1.00 0.00 C ATOM 288 O4' DG B 2 -4.207 13.131 -5.632 1.00 0.00 O ATOM 289 C3' DG B 2 -5.048 11.792 -7.415 1.00 0.00 C ATOM 290 O3' DG B 2 -4.054 11.783 -8.430 1.00 0.00 O ATOM 291 C2' DG B 2 -4.659 10.924 -6.225 1.00 0.00 C ATOM 292 C1' DG B 2 -3.658 11.833 -5.507 1.00 0.00 C ATOM 293 N9 DG B 2 -3.548 11.601 -4.042 1.00 0.00 N ATOM 294 C8 DG B 2 -4.552 11.430 -3.114 1.00 0.00 C ATOM 295 N7 DG B 2 -4.131 11.303 -1.887 1.00 0.00 N ATOM 296 C5 DG B 2 -2.751 11.401 -1.994 1.00 0.00 C ATOM 297 C6 DG B 2 -1.747 11.319 -0.982 1.00 0.00 C ATOM 298 O6 DG B 2 -1.899 11.180 0.229 1.00 0.00 O ATOM 299 N1 DG B 2 -0.460 11.413 -1.502 1.00 0.00 N ATOM 300 C2 DG B 2 -0.169 11.618 -2.836 1.00 0.00 C ATOM 301 N2 DG B 2 1.123 11.650 -3.177 1.00 0.00 N ATOM 302 N3 DG B 2 -1.115 11.738 -3.782 1.00 0.00 N ATOM 303 C4 DG B 2 -2.383 11.605 -3.304 1.00 0.00 C ATOM 0 H5' DG B 2 -6.334 14.406 -5.526 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.023 14.017 -7.090 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.739 13.892 -7.526 1.00 0.00 H new ATOM 0 H3' DG B 2 -5.973 11.470 -7.893 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.516 10.679 -5.597 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.210 9.980 -6.534 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.673 11.662 -5.942 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.598 11.403 -3.380 1.00 0.00 H new ATOM 0 H1 DG B 2 0.322 11.324 -0.853 1.00 0.00 H new ATOM 0 H21 DG B 2 1.390 11.799 -4.150 1.00 0.00 H new ATOM 0 H22 DG B 2 1.842 11.526 -2.464 1.00 0.00 H new ATOM 315 P DC B 3 -3.647 10.451 -9.256 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.075 10.874 -10.554 1.00 0.00 O ATOM 317 OP2 DC B 3 -4.794 9.515 -9.231 1.00 0.00 O ATOM 318 O5' DC B 3 -2.458 9.816 -8.363 1.00 0.00 O ATOM 319 C5' DC B 3 -1.204 10.463 -8.251 1.00 0.00 C ATOM 320 C4' DC B 3 -0.231 9.707 -7.337 1.00 0.00 C ATOM 321 O4' DC B 3 -0.712 9.884 -6.025 1.00 0.00 O ATOM 322 C3' DC B 3 -0.127 8.183 -7.549 1.00 0.00 C ATOM 323 O3' DC B 3 1.101 7.835 -8.166 1.00 0.00 O ATOM 324 C2' DC B 3 -0.229 7.634 -6.125 1.00 0.00 C ATOM 325 C1' DC B 3 -0.097 8.879 -5.262 1.00 0.00 C ATOM 326 N1 DC B 3 -0.840 8.676 -4.008 1.00 0.00 N ATOM 327 C2 DC B 3 -0.147 8.334 -2.850 1.00 0.00 C ATOM 328 O2 DC B 3 1.081 8.337 -2.813 1.00 0.00 O ATOM 329 N3 DC B 3 -0.871 7.995 -1.748 1.00 0.00 N ATOM 330 C4 DC B 3 -2.207 7.911 -1.787 1.00 0.00 C ATOM 331 N4 DC B 3 -2.863 7.718 -0.640 1.00 0.00 N ATOM 332 C5 DC B 3 -2.907 8.120 -3.021 1.00 0.00 C ATOM 333 C6 DC B 3 -2.192 8.534 -4.070 1.00 0.00 C ATOM 0 H5' DC B 3 -1.352 11.471 -7.863 1.00 0.00 H new ATOM 0 H5'' DC B 3 -0.762 10.565 -9.242 1.00 0.00 H new ATOM 0 H4' DC B 3 0.759 10.110 -7.553 1.00 0.00 H new ATOM 0 H3' DC B 3 -0.893 7.781 -8.212 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.179 7.126 -5.956 1.00 0.00 H new ATOM 0 H2'' DC B 3 0.560 6.912 -5.914 1.00 0.00 H new ATOM 0 H1' DC B 3 0.934 9.120 -5.003 1.00 0.00 H new ATOM 0 H41 DC B 3 -3.881 7.650 -0.640 1.00 0.00 H new ATOM 0 H42 DC B 3 -2.346 7.638 0.236 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.971 7.949 -3.099 1.00 0.00 H new ATOM 0 H6 DC B 3 -2.701 8.763 -4.994 1.00 0.00 H new ATOM 345 P DT B 4 1.301 6.444 -8.972 1.00 0.00 P ATOM 346 OP1 DT B 4 2.534 6.575 -9.779 1.00 0.00 O ATOM 347 OP2 DT B 4 0.027 6.112 -9.649 1.00 0.00 O ATOM 348 O5' DT B 4 1.572 5.305 -7.858 1.00 0.00 O ATOM 349 C5' DT B 4 1.696 3.949 -8.254 1.00 0.00 C ATOM 350 C4' DT B 4 2.161 3.057 -7.097 1.00 0.00 C ATOM 351 O4' DT B 4 1.151 3.021 -6.114 1.00 0.00 O ATOM 352 C3' DT B 4 2.326 1.600 -7.547 1.00 0.00 C ATOM 353 O3' DT B 4 3.681 1.330 -7.861 1.00 0.00 O ATOM 354 C2' DT B 4 1.806 0.797 -6.349 1.00 0.00 C ATOM 355 C1' DT B 4 1.393 1.866 -5.341 1.00 0.00 C ATOM 356 N1 DT B 4 0.141 1.544 -4.605 1.00 0.00 N ATOM 357 C2 DT B 4 0.196 1.464 -3.216 1.00 0.00 C ATOM 358 O2 DT B 4 1.245 1.479 -2.577 1.00 0.00 O ATOM 359 N3 DT B 4 -1.022 1.363 -2.564 1.00 0.00 N ATOM 360 C4 DT B 4 -2.272 1.310 -3.155 1.00 0.00 C ATOM 361 O4 DT B 4 -3.278 1.265 -2.451 1.00 0.00 O ATOM 362 C5 DT B 4 -2.240 1.313 -4.607 1.00 0.00 C ATOM 363 C7 DT B 4 -3.535 1.188 -5.384 1.00 0.00 C ATOM 364 C6 DT B 4 -1.060 1.429 -5.269 1.00 0.00 C ATOM 0 H5' DT B 4 2.406 3.875 -9.078 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.737 3.590 -8.626 1.00 0.00 H new ATOM 0 H4' DT B 4 3.105 3.464 -6.734 1.00 0.00 H new ATOM 0 H3' DT B 4 1.782 1.349 -8.458 1.00 0.00 H new ATOM 0 H2' DT B 4 0.963 0.164 -6.628 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.576 0.141 -5.943 1.00 0.00 H new ATOM 0 H1' DT B 4 2.175 1.969 -4.589 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.995 1.324 -1.545 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.441 1.713 -6.335 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.747 0.135 -5.570 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.349 1.626 -4.807 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.064 1.431 -6.349 1.00 0.00 H new ATOM 377 P DA B 5 4.169 -0.107 -8.427 1.00 0.00 P ATOM 378 OP1 DA B 5 5.454 0.090 -9.134 1.00 0.00 O ATOM 379 OP2 DA B 5 3.033 -0.738 -9.134 1.00 0.00 O ATOM 380 O5' DA B 5 4.457 -0.962 -7.090 1.00 0.00 O ATOM 381 C5' DA B 5 5.549 -0.663 -6.242 1.00 0.00 C ATOM 382 C4' DA B 5 5.601 -1.450 -4.940 1.00 0.00 C ATOM 383 O4' DA B 5 4.371 -1.202 -4.270 1.00 0.00 O ATOM 384 C3' DA B 5 5.708 -2.927 -5.291 1.00 0.00 C ATOM 385 O3' DA B 5 6.321 -3.691 -4.271 1.00 0.00 O ATOM 386 C2' DA B 5 4.237 -3.254 -5.304 1.00 0.00 C ATOM 387 C1' DA B 5 3.695 -2.433 -4.137 1.00 0.00 C ATOM 388 N9 DA B 5 2.229 -2.200 -4.186 1.00 0.00 N ATOM 389 C8 DA B 5 1.348 -2.293 -5.240 1.00 0.00 C ATOM 390 N7 DA B 5 0.093 -2.168 -4.908 1.00 0.00 N ATOM 391 C5 DA B 5 0.138 -1.953 -3.538 1.00 0.00 C ATOM 392 C6 DA B 5 -0.861 -1.773 -2.560 1.00 0.00 C ATOM 393 N6 DA B 5 -2.171 -1.821 -2.826 1.00 0.00 N ATOM 394 N1 DA B 5 -0.475 -1.535 -1.294 1.00 0.00 N ATOM 395 C2 DA B 5 0.823 -1.504 -1.010 1.00 0.00 C ATOM 396 N3 DA B 5 1.856 -1.696 -1.823 1.00 0.00 N ATOM 397 C4 DA B 5 1.439 -1.922 -3.097 1.00 0.00 C ATOM 0 H5' DA B 5 5.521 0.400 -6.003 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.473 -0.842 -6.792 1.00 0.00 H new ATOM 0 H4' DA B 5 6.446 -1.165 -4.313 1.00 0.00 H new ATOM 0 H3' DA B 5 6.292 -3.130 -6.189 1.00 0.00 H new ATOM 0 H2' DA B 5 3.769 -2.973 -6.247 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.059 -4.320 -5.165 1.00 0.00 H new ATOM 0 H1' DA B 5 3.857 -2.953 -3.193 1.00 0.00 H new ATOM 0 H8 DA B 5 1.670 -2.456 -6.258 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.849 -1.683 -2.077 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.492 -1.995 -3.778 1.00 0.00 H new ATOM 0 H2 DA B 5 1.071 -1.295 0.020 1.00 0.00 H new ATOM 409 P DG B 6 7.920 -3.733 -4.004 1.00 0.00 P ATOM 410 OP1 DG B 6 8.304 -2.504 -3.275 1.00 0.00 O ATOM 411 OP2 DG B 6 8.602 -4.093 -5.266 1.00 0.00 O ATOM 412 O5' DG B 6 8.032 -4.988 -2.981 1.00 0.00 O ATOM 413 C5' DG B 6 6.924 -5.297 -2.161 1.00 0.00 C ATOM 414 C4' DG B 6 7.085 -6.382 -1.088 1.00 0.00 C ATOM 415 O4' DG B 6 5.749 -6.750 -0.786 1.00 0.00 O ATOM 416 C3' DG B 6 7.769 -7.626 -1.653 1.00 0.00 C ATOM 417 O3' DG B 6 8.221 -8.594 -0.719 1.00 0.00 O ATOM 418 C2' DG B 6 6.597 -8.297 -2.341 1.00 0.00 C ATOM 419 C1' DG B 6 5.541 -8.065 -1.259 1.00 0.00 C ATOM 420 N9 DG B 6 4.138 -8.243 -1.703 1.00 0.00 N ATOM 421 C8 DG B 6 3.625 -8.479 -2.955 1.00 0.00 C ATOM 422 N7 DG B 6 2.328 -8.588 -2.997 1.00 0.00 N ATOM 423 C5 DG B 6 1.938 -8.373 -1.683 1.00 0.00 C ATOM 424 C6 DG B 6 0.633 -8.233 -1.130 1.00 0.00 C ATOM 425 O6 DG B 6 -0.447 -8.348 -1.704 1.00 0.00 O ATOM 426 N1 DG B 6 0.668 -7.925 0.226 1.00 0.00 N ATOM 427 C2 DG B 6 1.822 -7.730 0.961 1.00 0.00 C ATOM 428 N2 DG B 6 1.688 -7.416 2.252 1.00 0.00 N ATOM 429 N3 DG B 6 3.048 -7.839 0.434 1.00 0.00 N ATOM 430 C4 DG B 6 3.039 -8.158 -0.886 1.00 0.00 C ATOM 0 H5' DG B 6 6.103 -5.595 -2.813 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.616 -4.379 -1.660 1.00 0.00 H new ATOM 0 H4' DG B 6 7.675 -6.021 -0.245 1.00 0.00 H new ATOM 0 H3' DG B 6 8.652 -7.322 -2.215 1.00 0.00 H new ATOM 0 H2' DG B 6 6.340 -7.830 -3.292 1.00 0.00 H new ATOM 0 H2'' DG B 6 6.772 -9.354 -2.542 1.00 0.00 H new ATOM 0 H1' DG B 6 5.666 -8.823 -0.486 1.00 0.00 H new ATOM 0 H8 DG B 6 4.247 -8.567 -3.834 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.223 -7.837 0.714 1.00 0.00 H new ATOM 0 H21 DG B 6 2.516 -7.264 2.828 1.00 0.00 H new ATOM 0 H22 DG B 6 0.758 -7.328 2.662 1.00 0.00 H new ATOM 442 P DC B 7 9.316 -8.355 0.436 1.00 0.00 P ATOM 443 OP1 DC B 7 9.585 -6.910 0.612 1.00 0.00 O ATOM 444 OP2 DC B 7 10.435 -9.295 0.213 1.00 0.00 O ATOM 445 O5' DC B 7 8.444 -8.888 1.686 1.00 0.00 O ATOM 446 C5' DC B 7 7.529 -8.047 2.360 1.00 0.00 C ATOM 447 C4' DC B 7 6.369 -8.828 2.996 1.00 0.00 C ATOM 448 O4' DC B 7 5.398 -9.085 1.985 1.00 0.00 O ATOM 449 C3' DC B 7 6.772 -10.191 3.594 1.00 0.00 C ATOM 450 O3' DC B 7 6.170 -10.297 4.879 1.00 0.00 O ATOM 451 C2' DC B 7 6.144 -11.134 2.559 1.00 0.00 C ATOM 452 C1' DC B 7 4.867 -10.363 2.252 1.00 0.00 C ATOM 453 N1 DC B 7 4.006 -10.882 1.138 1.00 0.00 N ATOM 454 C2 DC B 7 2.613 -10.836 1.312 1.00 0.00 C ATOM 455 O2 DC B 7 2.099 -10.520 2.383 1.00 0.00 O ATOM 456 N3 DC B 7 1.807 -11.152 0.261 1.00 0.00 N ATOM 457 C4 DC B 7 2.316 -11.570 -0.904 1.00 0.00 C ATOM 458 N4 DC B 7 1.474 -11.846 -1.904 1.00 0.00 N ATOM 459 C5 DC B 7 3.732 -11.739 -1.074 1.00 0.00 C ATOM 460 C6 DC B 7 4.529 -11.388 -0.036 1.00 0.00 C ATOM 0 H5' DC B 7 7.128 -7.315 1.658 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.056 -7.490 3.135 1.00 0.00 H new ATOM 0 H4' DC B 7 5.997 -8.210 3.813 1.00 0.00 H new ATOM 0 H3' DC B 7 7.834 -10.380 3.749 1.00 0.00 H new ATOM 0 H2' DC B 7 6.773 -11.268 1.679 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.946 -12.127 2.963 1.00 0.00 H new ATOM 0 H1' DC B 7 4.149 -10.424 3.070 1.00 0.00 H new ATOM 0 H41 DC B 7 1.836 -12.166 -2.802 1.00 0.00 H new ATOM 0 H42 DC B 7 0.469 -11.736 -1.769 1.00 0.00 H new ATOM 0 H5 DC B 7 4.145 -12.130 -1.992 1.00 0.00 H new ATOM 0 H6 DC B 7 5.598 -11.507 -0.129 1.00 0.00 H new ATOM 472 P DG B 8 6.442 -11.536 5.890 1.00 0.00 P ATOM 473 OP1 DG B 8 7.186 -11.018 7.060 1.00 0.00 O ATOM 474 OP2 DG B 8 6.991 -12.672 5.118 1.00 0.00 O ATOM 475 O5' DG B 8 4.949 -11.935 6.376 1.00 0.00 O ATOM 476 C5' DG B 8 3.891 -12.039 5.445 1.00 0.00 C ATOM 477 C4' DG B 8 3.036 -13.271 5.606 1.00 0.00 C ATOM 478 O4' DG B 8 2.178 -13.105 4.506 1.00 0.00 O ATOM 479 C3' DG B 8 3.732 -14.601 5.345 1.00 0.00 C ATOM 480 O3' DG B 8 4.165 -15.214 6.541 1.00 0.00 O ATOM 481 C2' DG B 8 2.601 -15.399 4.691 1.00 0.00 C ATOM 482 C1' DG B 8 1.570 -14.334 4.290 1.00 0.00 C ATOM 483 N9 DG B 8 1.279 -14.356 2.843 1.00 0.00 N ATOM 484 C8 DG B 8 2.174 -14.230 1.812 1.00 0.00 C ATOM 485 N7 DG B 8 1.633 -14.268 0.627 1.00 0.00 N ATOM 486 C5 DG B 8 0.276 -14.416 0.889 1.00 0.00 C ATOM 487 C6 DG B 8 -0.824 -14.508 -0.014 1.00 0.00 C ATOM 488 O6 DG B 8 -0.805 -14.432 -1.239 1.00 0.00 O ATOM 489 N1 DG B 8 -2.034 -14.708 0.644 1.00 0.00 N ATOM 490 C2 DG B 8 -2.180 -14.769 2.017 1.00 0.00 C ATOM 491 N2 DG B 8 -3.417 -14.946 2.493 1.00 0.00 N ATOM 492 N3 DG B 8 -1.148 -14.660 2.871 1.00 0.00 N ATOM 493 C4 DG B 8 0.049 -14.491 2.245 1.00 0.00 C ATOM 0 H5' DG B 8 4.308 -12.030 4.438 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.256 -11.157 5.535 1.00 0.00 H new ATOM 0 H4' DG B 8 2.641 -13.330 6.620 1.00 0.00 H new ATOM 0 H3' DG B 8 4.637 -14.517 4.743 1.00 0.00 H new ATOM 0 H2' DG B 8 2.956 -15.955 3.824 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.175 -16.125 5.383 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.605 -16.065 6.332 1.00 0.00 H new ATOM 0 H1' DG B 8 0.655 -14.511 4.855 1.00 0.00 H new ATOM 0 H8 DG B 8 3.236 -14.110 1.968 1.00 0.00 H new ATOM 0 H1 DG B 8 -2.872 -14.817 0.073 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.574 -14.997 3.500 1.00 0.00 H new ATOM 0 H22 DG B 8 -4.204 -15.030 1.849 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -5.138 -4.416 3.922 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.529 -4.576 3.942 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.211 -4.815 2.742 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.503 -4.851 1.529 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.276 -4.680 0.377 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.766 -4.644 -1.025 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.978 -4.676 0.785 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.877 -4.736 -0.187 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.757 -4.604 2.416 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.422 -4.552 2.712 1.00 0.00 C HETATM 517 C11 TOT A 9 -5.095 -4.717 1.496 1.00 0.00 C HETATM 518 C12 TOT A 9 1.813 -4.854 -0.984 1.00 0.00 C HETATM 519 C13 TOT A 9 2.672 -5.315 -1.993 1.00 0.00 C HETATM 520 C14 TOT A 9 2.205 -5.498 -3.296 1.00 0.00 C HETATM 521 C15 TOT A 9 0.847 -5.335 -3.567 1.00 0.00 C HETATM 522 C16 TOT A 9 -0.059 -5.093 -2.517 1.00 0.00 C HETATM 523 C17 TOT A 9 0.407 -4.845 -1.196 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.463 -4.576 -0.093 1.00 0.00 C HETATM 525 C19 TOT A 9 0.131 -4.130 1.108 1.00 0.00 C HETATM 526 C20 TOT A 9 1.519 -4.014 1.232 1.00 0.00 C HETATM 527 N21 TOT A 9 2.352 -4.397 0.214 1.00 0.00 N HETATM 528 C22 TOT A 9 3.802 -4.254 0.493 1.00 0.00 C HETATM 529 C23 TOT A 9 4.282 -4.842 1.833 1.00 0.00 C HETATM 530 C24 TOT A 9 5.787 -4.635 2.057 1.00 0.00 C HETATM 531 N25 TOT A 9 6.200 -3.471 2.896 1.00 0.00 N HETATM 532 C26 TOT A 9 5.638 -2.194 2.359 1.00 0.00 C HETATM 533 C27 TOT A 9 6.313 -0.924 2.910 1.00 0.00 C HETATM 534 C28 TOT A 9 7.686 -3.448 2.855 1.00 0.00 C HETATM 535 C29 TOT A 9 5.780 -3.680 4.309 1.00 0.00 C HETATM 536 C31 TOT A 9 -1.838 4.570 -5.847 1.00 0.00 C HETATM 537 C32 TOT A 9 -2.993 4.673 -6.632 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.242 4.759 -6.007 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.323 4.745 -4.605 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.090 4.654 -2.408 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.256 4.595 -1.488 1.00 0.00 C HETATM 542 C37 TOT A 9 -1.782 4.675 -2.033 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.408 4.658 -0.612 1.00 0.00 C HETATM 544 S39 TOT A 9 -0.692 4.719 -3.268 1.00 0.00 S HETATM 545 C40 TOT A 9 -1.917 4.651 -4.439 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.161 4.697 -3.795 1.00 0.00 C HETATM 547 C42 TOT A 9 1.176 5.093 2.100 1.00 0.00 C HETATM 548 C43 TOT A 9 1.314 5.698 3.363 1.00 0.00 C HETATM 549 C44 TOT A 9 0.193 5.999 4.133 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.079 5.794 3.595 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.222 5.440 2.238 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.090 5.067 1.461 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.169 4.669 0.089 1.00 0.00 C HETATM 554 C49 TOT A 9 1.028 4.273 -0.553 1.00 0.00 C HETATM 555 C50 TOT A 9 2.224 4.157 0.168 1.00 0.00 C HETATM 556 N51 TOT A 9 2.283 4.530 1.481 1.00 0.00 N HETATM 557 C52 TOT A 9 3.582 4.304 2.148 1.00 0.00 C HETATM 558 C53 TOT A 9 4.260 2.945 1.893 1.00 0.00 C HETATM 559 C54 TOT A 9 5.305 2.770 2.998 1.00 0.00 C HETATM 560 N55 TOT A 9 6.243 1.623 2.849 1.00 0.00 N HETATM 561 C56 TOT A 9 5.494 0.349 2.620 1.00 0.00 C HETATM 562 C58 TOT A 9 7.018 1.563 4.117 1.00 0.00 C HETATM 563 C59 TOT A 9 7.188 1.885 1.733 1.00 0.00 C HETATM 0 H593 TOT A 9 6.629 2.015 0.806 1.00 0.00 H new HETATM 0 H592 TOT A 9 7.758 2.790 1.944 1.00 0.00 H new HETATM 0 H591 TOT A 9 7.871 1.042 1.629 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.559 2.499 4.258 1.00 0.00 H new HETATM 0 H582 TOT A 9 6.336 1.409 4.953 1.00 0.00 H new HETATM 0 H581 TOT A 9 7.728 0.737 4.071 1.00 0.00 H new HETATM 0 H562 TOT A 9 5.154 0.321 1.585 1.00 0.00 H new HETATM 0 H561 TOT A 9 4.603 0.346 3.248 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.893 3.686 3.060 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.782 2.662 3.948 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.530 2.136 1.917 1.00 0.00 H new HETATM 0 H531 TOT A 9 4.728 2.923 0.909 1.00 0.00 H new HETATM 0 H522 TOT A 9 4.268 5.091 1.834 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.438 4.417 3.223 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.201 3.687 -0.888 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.246 5.465 -0.831 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.178 4.590 -2.069 1.00 0.00 H new HETATM 0 H293 TOT A 9 4.696 -3.785 4.355 1.00 0.00 H new HETATM 0 H292 TOT A 9 6.249 -4.584 4.698 1.00 0.00 H new HETATM 0 H291 TOT A 9 6.087 -2.824 4.910 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.076 -4.383 3.258 1.00 0.00 H new HETATM 0 H282 TOT A 9 8.020 -3.330 1.824 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.054 -2.614 3.453 1.00 0.00 H new HETATM 0 H272 TOT A 9 6.451 -1.027 3.986 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.305 -0.823 2.470 1.00 0.00 H new HETATM 0 H262 TOT A 9 5.730 -2.198 1.273 1.00 0.00 H new HETATM 0 H261 TOT A 9 4.573 -2.154 2.588 1.00 0.00 H new HETATM 0 H242 TOT A 9 6.188 -5.540 2.514 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.263 -4.533 1.081 1.00 0.00 H new HETATM 0 H232 TOT A 9 3.729 -4.378 2.649 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.056 -5.908 1.861 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.358 -4.732 -0.313 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.056 -3.194 0.470 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.215 -4.949 -1.201 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.412 -3.735 -1.511 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.390 -5.513 -1.564 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.856 -4.658 -1.030 1.00 0.00 H new HETATM 0 H50 TOT A 9 3.115 3.766 -0.323 1.00 0.00 H new HETATM 0 H49 TOT A 9 1.020 4.056 -1.621 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.211 5.452 1.779 1.00 0.00 H new HETATM 0 H45 TOT A 9 -1.962 5.908 4.224 1.00 0.00 H new HETATM 0 H44 TOT A 9 0.307 6.390 5.144 1.00 0.00 H new HETATM 0 H43 TOT A 9 2.308 5.933 3.743 1.00 0.00 H new HETATM 0 H4 TOT A 9 -7.049 -4.985 0.595 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.271 4.631 0.053 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.303 4.772 -4.128 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.149 4.837 -6.606 1.00 0.00 H new HETATM 0 H32 TOT A 9 -2.920 4.686 -7.719 1.00 0.00 H new HETATM 0 H31 TOT A 9 -0.870 4.426 -6.327 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.289 -4.973 2.749 1.00 0.00 H new HETATM 0 H20 TOT A 9 1.944 -3.613 2.152 1.00 0.00 H new HETATM 0 H2 TOT A 9 -7.076 -4.515 4.883 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.505 -3.871 1.955 1.00 0.00 H new HETATM 0 H16 TOT A 9 -1.130 -5.096 -2.719 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.486 -5.395 -4.594 1.00 0.00 H new HETATM 0 H14 TOT A 9 2.896 -5.766 -4.095 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.714 -5.532 -1.757 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.605 -4.185 4.845 1.00 0.00 H new