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 -39:sc= 0.00285 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 -28:sc= 0.00312 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 -10.911 -16.076 -4.390 1.00 0.00 O ATOM 2 C5' DC A 1 -10.545 -14.784 -3.955 1.00 0.00 C ATOM 3 C4' DC A 1 -10.124 -14.821 -2.480 1.00 0.00 C ATOM 4 O4' DC A 1 -8.961 -15.628 -2.385 1.00 0.00 O ATOM 5 C3' DC A 1 -9.769 -13.420 -1.962 1.00 0.00 C ATOM 6 O3' DC A 1 -10.504 -13.197 -0.775 1.00 0.00 O ATOM 7 C2' DC A 1 -8.267 -13.514 -1.723 1.00 0.00 C ATOM 8 C1' DC A 1 -8.025 -14.998 -1.528 1.00 0.00 C ATOM 9 N1 DC A 1 -6.643 -15.306 -1.982 1.00 0.00 N ATOM 10 C2 DC A 1 -5.604 -15.169 -1.059 1.00 0.00 C ATOM 11 O2 DC A 1 -5.832 -14.938 0.127 1.00 0.00 O ATOM 12 N3 DC A 1 -4.321 -15.292 -1.503 1.00 0.00 N ATOM 13 C4 DC A 1 -4.049 -15.512 -2.798 1.00 0.00 C ATOM 14 N4 DC A 1 -2.770 -15.581 -3.182 1.00 0.00 N ATOM 15 C5 DC A 1 -5.098 -15.596 -3.775 1.00 0.00 C ATOM 16 C6 DC A 1 -6.368 -15.478 -3.319 1.00 0.00 C ATOM 0 H5' DC A 1 -11.382 -14.098 -4.085 1.00 0.00 H new ATOM 0 H5'' DC A 1 -9.725 -14.405 -4.565 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.951 -15.213 -1.887 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.007 -12.592 -2.630 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.702 -13.124 -2.570 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.965 -12.941 -0.847 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.307 -16.738 -3.993 1.00 0.00 H new ATOM 0 H1' DC A 1 -8.134 -15.324 -0.493 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.540 -15.748 -4.162 1.00 0.00 H new ATOM 0 H42 DC A 1 -2.025 -15.467 -2.495 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.885 -15.746 -4.823 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.186 -15.520 -4.023 1.00 0.00 H new ATOM 29 P DG A 2 -10.473 -11.788 0.008 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.582 -11.785 0.987 1.00 0.00 O ATOM 31 OP2 DG A 2 -10.365 -10.693 -0.982 1.00 0.00 O ATOM 32 O5' DG A 2 -9.087 -11.871 0.822 1.00 0.00 O ATOM 33 C5' DG A 2 -8.769 -12.981 1.640 1.00 0.00 C ATOM 34 C4' DG A 2 -7.934 -12.548 2.856 1.00 0.00 C ATOM 35 O4' DG A 2 -6.594 -12.410 2.408 1.00 0.00 O ATOM 36 C3' DG A 2 -8.366 -11.200 3.442 1.00 0.00 C ATOM 37 O3' DG A 2 -8.097 -11.212 4.837 1.00 0.00 O ATOM 38 C2' DG A 2 -7.438 -10.256 2.687 1.00 0.00 C ATOM 39 C1' DG A 2 -6.150 -11.084 2.629 1.00 0.00 C ATOM 40 N9 DG A 2 -5.261 -10.785 1.473 1.00 0.00 N ATOM 41 C8 DG A 2 -5.597 -10.610 0.148 1.00 0.00 C ATOM 42 N7 DG A 2 -4.576 -10.478 -0.651 1.00 0.00 N ATOM 43 C5 DG A 2 -3.475 -10.582 0.188 1.00 0.00 C ATOM 44 C6 DG A 2 -2.081 -10.538 -0.123 1.00 0.00 C ATOM 45 O6 DG A 2 -1.554 -10.398 -1.224 1.00 0.00 O ATOM 46 N1 DG A 2 -1.278 -10.681 1.004 1.00 0.00 N ATOM 47 C2 DG A 2 -1.760 -10.871 2.285 1.00 0.00 C ATOM 48 N2 DG A 2 -0.856 -10.986 3.262 1.00 0.00 N ATOM 49 N3 DG A 2 -3.071 -10.940 2.575 1.00 0.00 N ATOM 50 C4 DG A 2 -3.879 -10.782 1.488 1.00 0.00 C ATOM 0 H5' DG A 2 -8.216 -13.719 1.059 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.686 -13.463 1.977 1.00 0.00 H new ATOM 0 H4' DG A 2 -8.062 -13.298 3.637 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.419 -10.938 3.341 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.817 -10.015 1.694 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.296 -9.312 3.212 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.584 -10.885 3.539 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.620 -10.584 -0.199 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.267 -10.643 0.876 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.161 -11.127 4.225 1.00 0.00 H new ATOM 0 H22 DG A 2 0.139 -10.932 3.045 1.00 0.00 H new ATOM 62 P DC A 3 -8.322 -9.919 5.787 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.497 -10.401 7.176 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.358 -9.058 5.175 1.00 0.00 O ATOM 65 O5' DC A 3 -6.905 -9.146 5.698 1.00 0.00 O ATOM 66 C5' DC A 3 -5.737 -9.695 6.278 1.00 0.00 C ATOM 67 C4' DC A 3 -4.489 -8.842 6.007 1.00 0.00 C ATOM 68 O4' DC A 3 -4.201 -9.028 4.641 1.00 0.00 O ATOM 69 C3' DC A 3 -4.623 -7.318 6.200 1.00 0.00 C ATOM 70 O3' DC A 3 -4.032 -6.868 7.407 1.00 0.00 O ATOM 71 C2' DC A 3 -3.910 -6.758 4.965 1.00 0.00 C ATOM 72 C1' DC A 3 -3.313 -7.998 4.307 1.00 0.00 C ATOM 73 N1 DC A 3 -3.283 -7.829 2.846 1.00 0.00 N ATOM 74 C2 DC A 3 -2.075 -7.561 2.208 1.00 0.00 C ATOM 75 O2 DC A 3 -1.009 -7.614 2.813 1.00 0.00 O ATOM 76 N3 DC A 3 -2.102 -7.237 0.885 1.00 0.00 N ATOM 77 C4 DC A 3 -3.262 -7.099 0.227 1.00 0.00 C ATOM 78 N4 DC A 3 -3.229 -6.884 -1.090 1.00 0.00 N ATOM 79 C5 DC A 3 -4.509 -7.258 0.918 1.00 0.00 C ATOM 80 C6 DC A 3 -4.461 -7.658 2.189 1.00 0.00 C ATOM 0 H5' DC A 3 -5.578 -10.700 5.886 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.881 -9.791 7.354 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.739 -9.167 6.728 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.659 -6.992 6.285 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.604 -6.245 4.299 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.139 -6.038 5.239 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.292 -8.193 4.635 1.00 0.00 H new ATOM 0 H41 DC A 3 -4.099 -6.776 -1.611 1.00 0.00 H new ATOM 0 H42 DC A 3 -2.334 -6.828 -1.575 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.451 -7.061 0.427 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.386 -7.852 2.712 1.00 0.00 H new ATOM 92 P DT A 4 -4.339 -5.397 8.024 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.214 -5.504 9.494 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.602 -4.890 7.440 1.00 0.00 O ATOM 95 O5' DT A 4 -3.152 -4.430 7.507 1.00 0.00 O ATOM 96 C5' DT A 4 -3.033 -3.112 8.020 1.00 0.00 C ATOM 97 C4' DT A 4 -1.840 -2.378 7.395 1.00 0.00 C ATOM 98 O4' DT A 4 -2.134 -2.204 6.022 1.00 0.00 O ATOM 99 C3' DT A 4 -1.656 -0.970 7.991 1.00 0.00 C ATOM 100 O3' DT A 4 -0.288 -0.797 8.325 1.00 0.00 O ATOM 101 C2' DT A 4 -2.078 -0.043 6.850 1.00 0.00 C ATOM 102 C1' DT A 4 -1.707 -0.912 5.655 1.00 0.00 C ATOM 103 N1 DT A 4 -2.389 -0.565 4.378 1.00 0.00 N ATOM 104 C2 DT A 4 -1.599 -0.472 3.238 1.00 0.00 C ATOM 105 O2 DT A 4 -0.371 -0.459 3.268 1.00 0.00 O ATOM 106 N3 DT A 4 -2.272 -0.394 2.031 1.00 0.00 N ATOM 107 C4 DT A 4 -3.643 -0.352 1.853 1.00 0.00 C ATOM 108 O4 DT A 4 -4.113 -0.314 0.718 1.00 0.00 O ATOM 109 C5 DT A 4 -4.399 -0.361 3.090 1.00 0.00 C ATOM 110 C7 DT A 4 -5.911 -0.251 3.042 1.00 0.00 C ATOM 111 C6 DT A 4 -3.762 -0.476 4.284 1.00 0.00 C ATOM 0 H5' DT A 4 -2.913 -3.150 9.103 1.00 0.00 H new ATOM 0 H5'' DT A 4 -3.950 -2.557 7.820 1.00 0.00 H new ATOM 0 H4' DT A 4 -0.937 -2.960 7.578 1.00 0.00 H new ATOM 0 H3' DT A 4 -2.231 -0.782 8.898 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.141 0.196 6.878 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.538 0.904 6.861 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.642 -0.792 5.457 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.699 -0.365 1.188 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.341 -0.779 3.893 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.201 0.799 3.082 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.279 -0.694 2.116 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.350 -0.498 5.190 1.00 0.00 H new ATOM 124 P DA A 5 0.256 0.536 9.059 1.00 0.00 P ATOM 125 OP1 DA A 5 1.343 0.133 9.979 1.00 0.00 O ATOM 126 OP2 DA A 5 -0.905 1.286 9.587 1.00 0.00 O ATOM 127 O5' DA A 5 0.897 1.404 7.855 1.00 0.00 O ATOM 128 C5' DA A 5 2.239 1.225 7.443 1.00 0.00 C ATOM 129 C4' DA A 5 2.797 2.258 6.477 1.00 0.00 C ATOM 130 O4' DA A 5 2.162 2.097 5.213 1.00 0.00 O ATOM 131 C3' DA A 5 2.447 3.618 7.063 1.00 0.00 C ATOM 132 O3' DA A 5 3.416 4.602 6.780 1.00 0.00 O ATOM 133 C2' DA A 5 1.200 3.864 6.255 1.00 0.00 C ATOM 134 C1' DA A 5 1.541 3.318 4.872 1.00 0.00 C ATOM 135 N9 DA A 5 0.337 3.000 4.064 1.00 0.00 N ATOM 136 C8 DA A 5 -1.003 3.099 4.370 1.00 0.00 C ATOM 137 N7 DA A 5 -1.804 2.879 3.364 1.00 0.00 N ATOM 138 C5 DA A 5 -0.939 2.573 2.323 1.00 0.00 C ATOM 139 C6 DA A 5 -1.138 2.246 0.966 1.00 0.00 C ATOM 140 N6 DA A 5 -2.342 2.227 0.382 1.00 0.00 N ATOM 141 N1 DA A 5 -0.062 1.922 0.229 1.00 0.00 N ATOM 142 C2 DA A 5 1.143 1.936 0.789 1.00 0.00 C ATOM 143 N3 DA A 5 1.464 2.254 2.037 1.00 0.00 N ATOM 144 C4 DA A 5 0.361 2.573 2.762 1.00 0.00 C ATOM 0 H5' DA A 5 2.325 0.243 6.979 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.870 1.214 8.332 1.00 0.00 H new ATOM 0 H4' DA A 5 3.873 2.154 6.340 1.00 0.00 H new ATOM 0 H3' DA A 5 2.360 3.649 8.149 1.00 0.00 H new ATOM 0 H2' DA A 5 0.339 3.352 6.685 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.953 4.925 6.215 1.00 0.00 H new ATOM 0 H1' DA A 5 2.123 4.024 4.281 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.360 3.339 5.361 1.00 0.00 H new ATOM 0 H61 DA A 5 -2.426 1.983 -0.605 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.175 2.457 0.924 1.00 0.00 H new ATOM 0 H2 DA A 5 1.965 1.653 0.148 1.00 0.00 H new ATOM 156 P DG A 6 4.851 4.704 7.540 1.00 0.00 P ATOM 157 OP1 DG A 6 5.714 3.599 7.064 1.00 0.00 O ATOM 158 OP2 DG A 6 4.617 4.900 8.987 1.00 0.00 O ATOM 159 O5' DG A 6 5.414 6.084 6.908 1.00 0.00 O ATOM 160 C5' DG A 6 4.852 6.519 5.691 1.00 0.00 C ATOM 161 C4' DG A 6 5.579 7.559 4.853 1.00 0.00 C ATOM 162 O4' DG A 6 4.638 7.953 3.870 1.00 0.00 O ATOM 163 C3' DG A 6 5.966 8.786 5.662 1.00 0.00 C ATOM 164 O3' DG A 6 7.212 9.211 5.116 1.00 0.00 O ATOM 165 C2' DG A 6 4.700 9.637 5.502 1.00 0.00 C ATOM 166 C1' DG A 6 4.256 9.299 4.081 1.00 0.00 C ATOM 167 N9 DG A 6 2.810 9.414 3.764 1.00 0.00 N ATOM 168 C8 DG A 6 1.715 9.684 4.555 1.00 0.00 C ATOM 169 N7 DG A 6 0.580 9.686 3.911 1.00 0.00 N ATOM 170 C5 DG A 6 0.931 9.358 2.607 1.00 0.00 C ATOM 171 C6 DG A 6 0.111 9.083 1.470 1.00 0.00 C ATOM 172 O6 DG A 6 -1.114 9.139 1.380 1.00 0.00 O ATOM 173 N1 DG A 6 0.862 8.705 0.361 1.00 0.00 N ATOM 174 C2 DG A 6 2.234 8.556 0.350 1.00 0.00 C ATOM 175 N2 DG A 6 2.807 8.175 -0.795 1.00 0.00 N ATOM 176 N3 DG A 6 2.998 8.780 1.425 1.00 0.00 N ATOM 177 C4 DG A 6 2.291 9.182 2.514 1.00 0.00 C ATOM 0 H5' DG A 6 3.861 6.915 5.913 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.710 5.638 5.065 1.00 0.00 H new ATOM 0 H4' DG A 6 6.501 7.142 4.448 1.00 0.00 H new ATOM 0 H3' DG A 6 6.181 8.738 6.729 1.00 0.00 H new ATOM 0 H2' DG A 6 3.940 9.376 6.238 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.908 10.700 5.621 1.00 0.00 H new ATOM 0 H1' DG A 6 4.726 10.041 3.435 1.00 0.00 H new ATOM 0 H8 DG A 6 1.789 9.877 5.615 1.00 0.00 H new ATOM 0 H1 DG A 6 0.361 8.525 -0.509 1.00 0.00 H new ATOM 0 H21 DG A 6 3.819 8.054 -0.843 1.00 0.00 H new ATOM 0 H22 DG A 6 2.233 8.005 -1.621 1.00 0.00 H new ATOM 189 P DC A 7 7.678 10.729 4.818 1.00 0.00 P ATOM 190 OP1 DC A 7 9.156 10.734 4.735 1.00 0.00 O ATOM 191 OP2 DC A 7 6.999 11.660 5.744 1.00 0.00 O ATOM 192 O5' DC A 7 7.103 10.944 3.327 1.00 0.00 O ATOM 193 C5' DC A 7 7.499 10.090 2.265 1.00 0.00 C ATOM 194 C4' DC A 7 6.853 10.492 0.933 1.00 0.00 C ATOM 195 O4' DC A 7 5.439 10.462 1.113 1.00 0.00 O ATOM 196 C3' DC A 7 7.246 11.917 0.509 1.00 0.00 C ATOM 197 O3' DC A 7 7.414 11.936 -0.904 1.00 0.00 O ATOM 198 C2' DC A 7 5.997 12.664 0.967 1.00 0.00 C ATOM 199 C1' DC A 7 4.928 11.655 0.568 1.00 0.00 C ATOM 200 N1 DC A 7 3.541 11.971 1.034 1.00 0.00 N ATOM 201 C2 DC A 7 2.480 11.792 0.133 1.00 0.00 C ATOM 202 O2 DC A 7 2.665 11.435 -1.030 1.00 0.00 O ATOM 203 N3 DC A 7 1.208 12.022 0.561 1.00 0.00 N ATOM 204 C4 DC A 7 0.956 12.451 1.804 1.00 0.00 C ATOM 205 N4 DC A 7 -0.316 12.629 2.173 1.00 0.00 N ATOM 206 C5 DC A 7 2.025 12.701 2.727 1.00 0.00 C ATOM 207 C6 DC A 7 3.284 12.453 2.300 1.00 0.00 C ATOM 0 H5' DC A 7 7.226 9.062 2.505 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.584 10.116 2.164 1.00 0.00 H new ATOM 0 H4' DC A 7 7.191 9.801 0.161 1.00 0.00 H new ATOM 0 H3' DC A 7 8.172 12.327 0.913 1.00 0.00 H new ATOM 0 H2' DC A 7 6.001 12.866 2.038 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.875 13.622 0.462 1.00 0.00 H new ATOM 0 H1' DC A 7 4.773 11.626 -0.510 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.533 12.955 3.115 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.070 12.439 1.513 1.00 0.00 H new ATOM 0 H5 DC A 7 1.832 13.072 3.723 1.00 0.00 H new ATOM 0 H6 DC A 7 4.111 12.638 2.969 1.00 0.00 H new ATOM 219 P DG A 8 7.929 13.241 -1.718 1.00 0.00 P ATOM 220 OP1 DG A 8 9.255 12.923 -2.290 1.00 0.00 O ATOM 221 OP2 DG A 8 7.769 14.437 -0.862 1.00 0.00 O ATOM 222 O5' DG A 8 6.868 13.348 -2.939 1.00 0.00 O ATOM 223 C5' DG A 8 5.475 13.331 -2.697 1.00 0.00 C ATOM 224 C4' DG A 8 4.725 14.497 -3.295 1.00 0.00 C ATOM 225 O4' DG A 8 3.427 14.210 -2.844 1.00 0.00 O ATOM 226 C3' DG A 8 5.032 15.866 -2.701 1.00 0.00 C ATOM 227 O3' DG A 8 5.993 16.567 -3.460 1.00 0.00 O ATOM 228 C2' DG A 8 3.659 16.537 -2.790 1.00 0.00 C ATOM 229 C1' DG A 8 2.686 15.372 -3.022 1.00 0.00 C ATOM 230 N9 DG A 8 1.633 15.311 -1.989 1.00 0.00 N ATOM 231 C8 DG A 8 1.805 15.205 -0.633 1.00 0.00 C ATOM 232 N7 DG A 8 0.693 15.140 0.042 1.00 0.00 N ATOM 233 C5 DG A 8 -0.292 15.195 -0.937 1.00 0.00 C ATOM 234 C6 DG A 8 -1.712 15.149 -0.811 1.00 0.00 C ATOM 235 O6 DG A 8 -2.376 15.030 0.215 1.00 0.00 O ATOM 236 N1 DG A 8 -2.358 15.260 -2.038 1.00 0.00 N ATOM 237 C2 DG A 8 -1.713 15.371 -3.257 1.00 0.00 C ATOM 238 N2 DG A 8 -2.481 15.437 -4.349 1.00 0.00 N ATOM 239 N3 DG A 8 -0.376 15.404 -3.380 1.00 0.00 N ATOM 240 C4 DG A 8 0.274 15.316 -2.186 1.00 0.00 C ATOM 0 H5' DG A 8 5.305 13.319 -1.620 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.060 12.405 -3.095 1.00 0.00 H new ATOM 0 H4' DG A 8 4.943 14.572 -4.360 1.00 0.00 H new ATOM 0 H3' DG A 8 5.457 15.829 -1.698 1.00 0.00 H new ATOM 0 H2' DG A 8 3.420 17.079 -1.875 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.620 17.258 -3.607 1.00 0.00 H new ATOM 0 HO3' DG A 8 6.162 17.440 -3.048 1.00 0.00 H new ATOM 0 H1' DG A 8 2.230 15.491 -4.005 1.00 0.00 H new ATOM 0 H8 DG A 8 2.778 15.178 -0.165 1.00 0.00 H new ATOM 0 H1 DG A 8 -3.378 15.260 -2.039 1.00 0.00 H new ATOM 0 H21 DG A 8 -2.051 15.519 -5.270 1.00 0.00 H new ATOM 0 H22 DG A 8 -3.497 15.405 -4.261 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -12.069 16.877 -2.777 1.00 0.00 O ATOM 255 C5' DC B 1 -11.465 15.606 -2.883 1.00 0.00 C ATOM 256 C4' DC B 1 -10.297 15.653 -3.876 1.00 0.00 C ATOM 257 O4' DC B 1 -9.321 16.535 -3.344 1.00 0.00 O ATOM 258 C3' DC B 1 -9.647 14.270 -4.033 1.00 0.00 C ATOM 259 O3' DC B 1 -9.594 13.956 -5.411 1.00 0.00 O ATOM 260 C2' DC B 1 -8.267 14.473 -3.420 1.00 0.00 C ATOM 261 C1' DC B 1 -8.037 15.968 -3.525 1.00 0.00 C ATOM 262 N1 DC B 1 -7.138 16.377 -2.413 1.00 0.00 N ATOM 263 C2 DC B 1 -5.760 16.297 -2.622 1.00 0.00 C ATOM 264 O2 DC B 1 -5.298 16.055 -3.735 1.00 0.00 O ATOM 265 N3 DC B 1 -4.929 16.492 -1.558 1.00 0.00 N ATOM 266 C4 DC B 1 -5.413 16.732 -0.331 1.00 0.00 C ATOM 267 N4 DC B 1 -4.551 16.866 0.682 1.00 0.00 N ATOM 268 C5 DC B 1 -6.826 16.768 -0.082 1.00 0.00 C ATOM 269 C6 DC B 1 -7.640 16.577 -1.147 1.00 0.00 C ATOM 0 H5' DC B 1 -12.201 14.872 -3.211 1.00 0.00 H new ATOM 0 H5'' DC B 1 -11.107 15.283 -1.905 1.00 0.00 H new ATOM 0 H4' DC B 1 -10.666 15.980 -4.848 1.00 0.00 H new ATOM 0 H3' DC B 1 -10.176 13.445 -3.555 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.237 14.136 -2.384 1.00 0.00 H new ATOM 0 H2'' DC B 1 -7.504 13.913 -3.960 1.00 0.00 H new ATOM 0 HO5' DC B 1 -11.406 17.572 -2.974 1.00 0.00 H new ATOM 0 H1' DC B 1 -7.584 16.277 -4.467 1.00 0.00 H new ATOM 0 H41 DC B 1 -4.896 17.049 1.624 1.00 0.00 H new ATOM 0 H42 DC B 1 -3.548 16.785 0.513 1.00 0.00 H new ATOM 0 H5 DC B 1 -7.221 16.939 0.908 1.00 0.00 H new ATOM 0 H6 DC B 1 -8.710 16.582 -1.000 1.00 0.00 H new ATOM 282 P DG B 2 -9.064 12.531 -5.952 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.454 12.411 -7.374 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.462 11.478 -4.990 1.00 0.00 O ATOM 285 O5' DG B 2 -7.463 12.696 -5.885 1.00 0.00 O ATOM 286 C5' DG B 2 -6.811 13.818 -6.450 1.00 0.00 C ATOM 287 C4' DG B 2 -5.392 13.457 -6.917 1.00 0.00 C ATOM 288 O4' DG B 2 -4.567 13.460 -5.762 1.00 0.00 O ATOM 289 C3' DG B 2 -5.295 12.067 -7.552 1.00 0.00 C ATOM 290 O3' DG B 2 -4.276 12.105 -8.542 1.00 0.00 O ATOM 291 C2' DG B 2 -4.892 11.229 -6.345 1.00 0.00 C ATOM 292 C1' DG B 2 -3.951 12.194 -5.619 1.00 0.00 C ATOM 293 N9 DG B 2 -3.855 11.977 -4.151 1.00 0.00 N ATOM 294 C8 DG B 2 -4.865 11.763 -3.238 1.00 0.00 C ATOM 295 N7 DG B 2 -4.458 11.660 -2.005 1.00 0.00 N ATOM 296 C5 DG B 2 -3.082 11.822 -2.090 1.00 0.00 C ATOM 297 C6 DG B 2 -2.090 11.785 -1.063 1.00 0.00 C ATOM 298 O6 DG B 2 -2.254 11.637 0.145 1.00 0.00 O ATOM 299 N1 DG B 2 -0.802 11.943 -1.563 1.00 0.00 N ATOM 300 C2 DG B 2 -0.501 12.157 -2.893 1.00 0.00 C ATOM 301 N2 DG B 2 0.793 12.255 -3.215 1.00 0.00 N ATOM 302 N3 DG B 2 -1.436 12.229 -3.854 1.00 0.00 N ATOM 303 C4 DG B 2 -2.704 12.039 -3.395 1.00 0.00 C ATOM 0 H5' DG B 2 -6.762 14.622 -5.715 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.391 14.192 -7.294 1.00 0.00 H new ATOM 0 H4' DG B 2 -5.091 14.180 -7.675 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.190 11.692 -8.049 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.749 10.950 -5.732 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.392 10.304 -6.634 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.951 12.074 -6.037 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.905 11.687 -3.521 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.027 11.898 -0.902 1.00 0.00 H new ATOM 0 H21 DG B 2 1.067 12.413 -4.185 1.00 0.00 H new ATOM 0 H22 DG B 2 1.506 12.172 -2.491 1.00 0.00 H new ATOM 315 P DC B 3 -3.789 10.794 -9.355 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.195 11.245 -10.633 1.00 0.00 O ATOM 317 OP2 DC B 3 -4.894 9.810 -9.369 1.00 0.00 O ATOM 318 O5' DC B 3 -2.602 10.207 -8.426 1.00 0.00 O ATOM 319 C5' DC B 3 -1.371 10.893 -8.292 1.00 0.00 C ATOM 320 C4' DC B 3 -0.390 10.161 -7.363 1.00 0.00 C ATOM 321 O4' DC B 3 -0.886 10.351 -6.058 1.00 0.00 O ATOM 322 C3' DC B 3 -0.272 8.635 -7.552 1.00 0.00 C ATOM 323 O3' DC B 3 0.941 8.260 -8.180 1.00 0.00 O ATOM 324 C2' DC B 3 -0.367 8.106 -6.119 1.00 0.00 C ATOM 325 C1' DC B 3 -0.264 9.367 -5.273 1.00 0.00 C ATOM 326 N1 DC B 3 -1.012 9.168 -4.022 1.00 0.00 N ATOM 327 C2 DC B 3 -0.322 8.853 -2.854 1.00 0.00 C ATOM 328 O2 DC B 3 0.904 8.899 -2.804 1.00 0.00 O ATOM 329 N3 DC B 3 -1.046 8.490 -1.759 1.00 0.00 N ATOM 330 C4 DC B 3 -2.377 8.357 -1.814 1.00 0.00 C ATOM 331 N4 DC B 3 -3.037 8.144 -0.673 1.00 0.00 N ATOM 332 C5 DC B 3 -3.073 8.545 -3.054 1.00 0.00 C ATOM 333 C6 DC B 3 -2.360 8.986 -4.095 1.00 0.00 C ATOM 0 H5' DC B 3 -1.557 11.894 -7.903 1.00 0.00 H new ATOM 0 H5'' DC B 3 -0.916 11.012 -9.275 1.00 0.00 H new ATOM 0 H4' DC B 3 0.597 10.570 -7.578 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.040 8.229 -8.211 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.306 7.581 -5.946 1.00 0.00 H new ATOM 0 H2'' DC B 3 0.437 7.404 -5.895 1.00 0.00 H new ATOM 0 H1' DC B 3 0.760 9.631 -5.007 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.051 8.039 -0.683 1.00 0.00 H new ATOM 0 H42 DC B 3 -2.527 8.087 0.208 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.129 8.339 -3.143 1.00 0.00 H new ATOM 0 H6 DC B 3 -2.868 9.205 -5.022 1.00 0.00 H new ATOM 345 P DT B 4 1.160 6.782 -8.815 1.00 0.00 P ATOM 346 OP1 DT B 4 2.184 6.908 -9.875 1.00 0.00 O ATOM 347 OP2 DT B 4 -0.163 6.207 -9.150 1.00 0.00 O ATOM 348 O5' DT B 4 1.792 5.876 -7.636 1.00 0.00 O ATOM 349 C5' DT B 4 2.256 4.566 -7.918 1.00 0.00 C ATOM 350 C4' DT B 4 2.824 3.895 -6.663 1.00 0.00 C ATOM 351 O4' DT B 4 1.748 3.696 -5.766 1.00 0.00 O ATOM 352 C3' DT B 4 3.402 2.503 -6.976 1.00 0.00 C ATOM 353 O3' DT B 4 4.725 2.438 -6.468 1.00 0.00 O ATOM 354 C2' DT B 4 2.463 1.549 -6.234 1.00 0.00 C ATOM 355 C1' DT B 4 1.968 2.463 -5.119 1.00 0.00 C ATOM 356 N1 DT B 4 0.680 2.055 -4.497 1.00 0.00 N ATOM 357 C2 DT B 4 0.626 1.992 -3.108 1.00 0.00 C ATOM 358 O2 DT B 4 1.619 2.070 -2.390 1.00 0.00 O ATOM 359 N3 DT B 4 -0.632 1.834 -2.552 1.00 0.00 N ATOM 360 C4 DT B 4 -1.825 1.698 -3.238 1.00 0.00 C ATOM 361 O4 DT B 4 -2.878 1.590 -2.613 1.00 0.00 O ATOM 362 C5 DT B 4 -1.681 1.701 -4.681 1.00 0.00 C ATOM 363 C7 DT B 4 -2.908 1.517 -5.553 1.00 0.00 C ATOM 364 C6 DT B 4 -0.461 1.881 -5.251 1.00 0.00 C ATOM 0 H5' DT B 4 3.024 4.608 -8.690 1.00 0.00 H new ATOM 0 H5'' DT B 4 1.438 3.966 -8.315 1.00 0.00 H new ATOM 0 H4' DT B 4 3.613 4.529 -6.258 1.00 0.00 H new ATOM 0 H3' DT B 4 3.459 2.264 -8.038 1.00 0.00 H new ATOM 0 H2' DT B 4 1.652 1.189 -6.867 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.982 0.670 -5.851 1.00 0.00 H new ATOM 0 H1' DT B 4 2.698 2.462 -4.310 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.684 1.816 -1.533 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.766 2.045 -6.496 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.059 0.456 -5.750 1.00 0.00 H new ATOM 0 H73 DT B 4 -3.782 1.918 -5.040 1.00 0.00 H new ATOM 0 H6 DT B 4 -0.383 1.888 -6.328 1.00 0.00 H new ATOM 377 P DA B 5 5.704 1.186 -6.770 1.00 0.00 P ATOM 378 OP1 DA B 5 7.097 1.682 -6.716 1.00 0.00 O ATOM 379 OP2 DA B 5 5.221 0.499 -7.988 1.00 0.00 O ATOM 380 O5' DA B 5 5.468 0.193 -5.517 1.00 0.00 O ATOM 381 C5' DA B 5 6.136 0.376 -4.279 1.00 0.00 C ATOM 382 C4' DA B 5 5.992 -0.735 -3.233 1.00 0.00 C ATOM 383 O4' DA B 5 4.761 -0.548 -2.506 1.00 0.00 O ATOM 384 C3' DA B 5 5.977 -2.057 -3.999 1.00 0.00 C ATOM 385 O3' DA B 5 6.609 -3.119 -3.324 1.00 0.00 O ATOM 386 C2' DA B 5 4.471 -2.203 -3.989 1.00 0.00 C ATOM 387 C1' DA B 5 3.930 -1.690 -2.686 1.00 0.00 C ATOM 388 N9 DA B 5 2.476 -1.347 -2.701 1.00 0.00 N ATOM 389 C8 DA B 5 1.554 -1.324 -3.734 1.00 0.00 C ATOM 390 N7 DA B 5 0.318 -1.171 -3.355 1.00 0.00 N ATOM 391 C5 DA B 5 0.406 -1.123 -1.973 1.00 0.00 C ATOM 392 C6 DA B 5 -0.567 -1.070 -0.958 1.00 0.00 C ATOM 393 N6 DA B 5 -1.878 -0.974 -1.210 1.00 0.00 N ATOM 394 N1 DA B 5 -0.155 -1.155 0.320 1.00 0.00 N ATOM 395 C2 DA B 5 1.147 -1.249 0.580 1.00 0.00 C ATOM 396 N3 DA B 5 2.156 -1.279 -0.282 1.00 0.00 N ATOM 397 C4 DA B 5 1.712 -1.224 -1.565 1.00 0.00 C ATOM 0 H5' DA B 5 5.777 1.305 -3.836 1.00 0.00 H new ATOM 0 H5'' DA B 5 7.198 0.510 -4.485 1.00 0.00 H new ATOM 0 H4' DA B 5 6.809 -0.724 -2.512 1.00 0.00 H new ATOM 0 H3' DA B 5 6.498 -2.071 -4.957 1.00 0.00 H new ATOM 0 H2' DA B 5 4.035 -1.649 -4.820 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.195 -3.249 -4.124 1.00 0.00 H new ATOM 0 H1' DA B 5 3.961 -2.427 -1.883 1.00 0.00 H new ATOM 0 H8 DA B 5 1.838 -1.425 -4.771 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.544 -0.939 -0.439 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.211 -0.936 -2.173 1.00 0.00 H new ATOM 0 H2 DA B 5 1.417 -1.308 1.624 1.00 0.00 H new ATOM 409 P DG B 6 8.190 -3.482 -3.517 1.00 0.00 P ATOM 410 OP1 DG B 6 8.985 -2.446 -2.820 1.00 0.00 O ATOM 411 OP2 DG B 6 8.436 -3.772 -4.946 1.00 0.00 O ATOM 412 O5' DG B 6 8.303 -4.873 -2.683 1.00 0.00 O ATOM 413 C5' DG B 6 7.143 -5.316 -2.021 1.00 0.00 C ATOM 414 C4' DG B 6 7.136 -6.491 -1.057 1.00 0.00 C ATOM 415 O4' DG B 6 5.763 -6.755 -0.867 1.00 0.00 O ATOM 416 C3' DG B 6 7.759 -7.710 -1.724 1.00 0.00 C ATOM 417 O3' DG B 6 8.191 -8.761 -0.876 1.00 0.00 O ATOM 418 C2' DG B 6 6.551 -8.277 -2.449 1.00 0.00 C ATOM 419 C1' DG B 6 5.498 -8.042 -1.363 1.00 0.00 C ATOM 420 N9 DG B 6 4.087 -8.060 -1.799 1.00 0.00 N ATOM 421 C8 DG B 6 3.547 -8.121 -3.056 1.00 0.00 C ATOM 422 N7 DG B 6 2.245 -8.078 -3.085 1.00 0.00 N ATOM 423 C5 DG B 6 1.889 -7.953 -1.748 1.00 0.00 C ATOM 424 C6 DG B 6 0.609 -7.772 -1.146 1.00 0.00 C ATOM 425 O6 DG B 6 -0.484 -7.692 -1.702 1.00 0.00 O ATOM 426 N1 DG B 6 0.687 -7.679 0.242 1.00 0.00 N ATOM 427 C2 DG B 6 1.867 -7.694 0.964 1.00 0.00 C ATOM 428 N2 DG B 6 1.795 -7.585 2.294 1.00 0.00 N ATOM 429 N3 DG B 6 3.070 -7.812 0.393 1.00 0.00 N ATOM 430 C4 DG B 6 3.012 -7.941 -0.957 1.00 0.00 C ATOM 0 H5' DG B 6 6.414 -5.549 -2.797 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.757 -4.460 -1.468 1.00 0.00 H new ATOM 0 H4' DG B 6 7.684 -6.281 -0.138 1.00 0.00 H new ATOM 0 H3' DG B 6 8.647 -7.400 -2.275 1.00 0.00 H new ATOM 0 H2' DG B 6 6.328 -7.748 -3.375 1.00 0.00 H new ATOM 0 H2'' DG B 6 6.667 -9.330 -2.704 1.00 0.00 H new ATOM 0 H1' DG B 6 5.584 -8.863 -0.651 1.00 0.00 H new ATOM 0 H8 DG B 6 4.150 -8.198 -3.949 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.186 -7.594 0.762 1.00 0.00 H new ATOM 0 H21 DG B 6 2.648 -7.593 2.853 1.00 0.00 H new ATOM 0 H22 DG B 6 0.887 -7.494 2.750 1.00 0.00 H new ATOM 442 P DC B 7 9.248 -8.622 0.332 1.00 0.00 P ATOM 443 OP1 DC B 7 9.550 -7.197 0.596 1.00 0.00 O ATOM 444 OP2 DC B 7 10.349 -9.580 0.094 1.00 0.00 O ATOM 445 O5' DC B 7 8.317 -9.200 1.517 1.00 0.00 O ATOM 446 C5' DC B 7 7.471 -8.369 2.290 1.00 0.00 C ATOM 447 C4' DC B 7 6.280 -9.153 2.862 1.00 0.00 C ATOM 448 O4' DC B 7 5.290 -9.273 1.844 1.00 0.00 O ATOM 449 C3' DC B 7 6.623 -10.585 3.325 1.00 0.00 C ATOM 450 O3' DC B 7 6.063 -10.765 4.621 1.00 0.00 O ATOM 451 C2' DC B 7 5.907 -11.402 2.239 1.00 0.00 C ATOM 452 C1' DC B 7 4.679 -10.529 2.030 1.00 0.00 C ATOM 453 N1 DC B 7 3.759 -10.905 0.907 1.00 0.00 N ATOM 454 C2 DC B 7 2.378 -10.794 1.128 1.00 0.00 C ATOM 455 O2 DC B 7 1.911 -10.579 2.245 1.00 0.00 O ATOM 456 N3 DC B 7 1.528 -10.926 0.071 1.00 0.00 N ATOM 457 C4 DC B 7 1.982 -11.249 -1.145 1.00 0.00 C ATOM 458 N4 DC B 7 1.103 -11.345 -2.147 1.00 0.00 N ATOM 459 C5 DC B 7 3.375 -11.514 -1.369 1.00 0.00 C ATOM 460 C6 DC B 7 4.218 -11.331 -0.324 1.00 0.00 C ATOM 0 H5' DC B 7 7.105 -7.548 1.674 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.042 -7.926 3.106 1.00 0.00 H new ATOM 0 H4' DC B 7 5.944 -8.596 3.736 1.00 0.00 H new ATOM 0 H3' DC B 7 7.677 -10.847 3.419 1.00 0.00 H new ATOM 0 H2' DC B 7 6.504 -11.507 1.333 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.653 -12.408 2.572 1.00 0.00 H new ATOM 0 H1' DC B 7 3.978 -10.604 2.861 1.00 0.00 H new ATOM 0 H41 DC B 7 1.423 -11.590 -3.084 1.00 0.00 H new ATOM 0 H42 DC B 7 0.112 -11.173 -1.975 1.00 0.00 H new ATOM 0 H5 DC B 7 3.736 -11.846 -2.331 1.00 0.00 H new ATOM 0 H6 DC B 7 5.273 -11.523 -0.457 1.00 0.00 H new ATOM 472 P DG B 8 6.296 -12.098 5.514 1.00 0.00 P ATOM 473 OP1 DG B 8 7.118 -11.726 6.686 1.00 0.00 O ATOM 474 OP2 DG B 8 6.736 -13.200 4.629 1.00 0.00 O ATOM 475 O5' DG B 8 4.801 -12.439 6.034 1.00 0.00 O ATOM 476 C5' DG B 8 3.698 -12.352 5.154 1.00 0.00 C ATOM 477 C4' DG B 8 2.715 -13.491 5.270 1.00 0.00 C ATOM 478 O4' DG B 8 1.854 -13.151 4.215 1.00 0.00 O ATOM 479 C3' DG B 8 3.248 -14.870 4.904 1.00 0.00 C ATOM 480 O3' DG B 8 3.626 -15.607 6.047 1.00 0.00 O ATOM 481 C2' DG B 8 2.021 -15.486 4.228 1.00 0.00 C ATOM 482 C1' DG B 8 1.111 -14.287 3.925 1.00 0.00 C ATOM 483 N9 DG B 8 0.801 -14.167 2.486 1.00 0.00 N ATOM 484 C8 DG B 8 1.691 -14.081 1.446 1.00 0.00 C ATOM 485 N7 DG B 8 1.133 -13.973 0.275 1.00 0.00 N ATOM 486 C5 DG B 8 -0.228 -13.965 0.557 1.00 0.00 C ATOM 487 C6 DG B 8 -1.343 -13.851 -0.325 1.00 0.00 C ATOM 488 O6 DG B 8 -1.331 -13.693 -1.543 1.00 0.00 O ATOM 489 N1 DG B 8 -2.560 -13.941 0.345 1.00 0.00 N ATOM 490 C2 DG B 8 -2.693 -14.073 1.715 1.00 0.00 C ATOM 491 N2 DG B 8 -3.936 -14.128 2.205 1.00 0.00 N ATOM 492 N3 DG B 8 -1.644 -14.151 2.550 1.00 0.00 N ATOM 493 C4 DG B 8 -0.444 -14.097 1.909 1.00 0.00 C ATOM 0 H5' DG B 8 4.069 -12.311 4.130 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.173 -11.415 5.341 1.00 0.00 H new ATOM 0 H4' DG B 8 2.344 -13.579 6.291 1.00 0.00 H new ATOM 0 H3' DG B 8 4.146 -14.850 4.286 1.00 0.00 H new ATOM 0 H2' DG B 8 2.294 -16.018 3.317 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.527 -16.205 4.881 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.961 -16.486 5.773 1.00 0.00 H new ATOM 0 H1' DG B 8 0.190 -14.406 4.495 1.00 0.00 H new ATOM 0 H8 DG B 8 2.762 -14.101 1.586 1.00 0.00 H new ATOM 0 H1 DG B 8 -3.413 -13.907 -0.214 1.00 0.00 H new ATOM 0 H21 DG B 8 -4.084 -14.225 3.209 1.00 0.00 H new ATOM 0 H22 DG B 8 -4.736 -14.073 1.574 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.708 -3.519 4.165 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.104 -3.615 4.234 1.00 0.00 C HETATM 509 C3 TOT A 9 -6.843 -3.758 3.053 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.181 -3.795 1.815 1.00 0.00 C HETATM 511 N5 TOT A 9 -3.991 -3.750 0.586 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.529 -3.623 -0.789 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.686 -3.890 0.939 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.647 -4.152 -0.070 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.390 -3.745 2.557 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.042 -3.641 2.924 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.769 -3.741 1.733 1.00 0.00 C HETATM 518 C12 TOT A 9 2.025 -4.542 -0.963 1.00 0.00 C HETATM 519 C13 TOT A 9 2.850 -4.790 -2.087 1.00 0.00 C HETATM 520 C14 TOT A 9 2.261 -4.975 -3.337 1.00 0.00 C HETATM 521 C15 TOT A 9 0.947 -4.572 -3.556 1.00 0.00 C HETATM 522 C16 TOT A 9 0.118 -4.277 -2.462 1.00 0.00 C HETATM 523 C17 TOT A 9 0.614 -4.393 -1.138 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.241 -4.370 0.012 1.00 0.00 C HETATM 525 C19 TOT A 9 0.365 -4.585 1.262 1.00 0.00 C HETATM 526 C20 TOT A 9 1.744 -4.536 1.397 1.00 0.00 C HETATM 527 N21 TOT A 9 2.563 -4.470 0.322 1.00 0.00 N HETATM 528 C22 TOT A 9 3.966 -4.384 0.766 1.00 0.00 C HETATM 529 C23 TOT A 9 4.936 -3.291 0.322 1.00 0.00 C HETATM 530 C24 TOT A 9 6.160 -3.316 1.270 1.00 0.00 C HETATM 531 N25 TOT A 9 7.043 -2.115 1.244 1.00 0.00 N HETATM 532 C26 TOT A 9 6.231 -0.896 1.543 1.00 0.00 C HETATM 533 C27 TOT A 9 7.025 0.328 2.033 1.00 0.00 C HETATM 534 C28 TOT A 9 7.703 -2.006 -0.075 1.00 0.00 C HETATM 535 C29 TOT A 9 8.097 -2.326 2.269 1.00 0.00 C HETATM 536 C31 TOT A 9 -1.518 4.888 -5.895 1.00 0.00 C HETATM 537 C32 TOT A 9 -2.652 4.943 -6.715 1.00 0.00 C HETATM 538 C33 TOT A 9 -3.917 5.083 -6.131 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.042 5.113 -4.733 1.00 0.00 C HETATM 540 N35 TOT A 9 -2.880 5.045 -2.504 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.078 4.905 -1.637 1.00 0.00 C HETATM 542 C37 TOT A 9 -1.591 5.158 -2.084 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.271 5.251 -0.653 1.00 0.00 C HETATM 544 S39 TOT A 9 -0.461 5.184 -3.287 1.00 0.00 S HETATM 545 C40 TOT A 9 -1.642 5.025 -4.493 1.00 0.00 C HETATM 546 C41 TOT A 9 -2.904 5.078 -3.891 1.00 0.00 C HETATM 547 C42 TOT A 9 1.219 5.780 2.132 1.00 0.00 C HETATM 548 C43 TOT A 9 1.299 6.393 3.393 1.00 0.00 C HETATM 549 C44 TOT A 9 0.155 6.606 4.155 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.093 6.306 3.605 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.198 5.923 2.252 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.033 5.662 1.477 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.059 5.286 0.094 1.00 0.00 C HETATM 554 C49 TOT A 9 1.170 4.938 -0.513 1.00 0.00 C HETATM 555 C50 TOT A 9 2.360 4.922 0.223 1.00 0.00 C HETATM 556 N51 TOT A 9 2.374 5.302 1.533 1.00 0.00 N HETATM 557 C52 TOT A 9 3.676 5.179 2.222 1.00 0.00 C HETATM 558 C53 TOT A 9 4.498 3.917 1.917 1.00 0.00 C HETATM 559 C54 TOT A 9 5.591 3.779 2.982 1.00 0.00 C HETATM 560 N55 TOT A 9 6.660 2.783 2.678 1.00 0.00 N HETATM 561 C56 TOT A 9 6.044 1.497 2.235 1.00 0.00 C HETATM 562 C58 TOT A 9 7.437 2.601 3.931 1.00 0.00 C HETATM 563 C59 TOT A 9 7.570 3.322 1.632 1.00 0.00 C HETATM 0 H593 TOT A 9 7.001 3.527 0.725 1.00 0.00 H new HETATM 0 H592 TOT A 9 8.029 4.244 1.989 1.00 0.00 H new HETATM 0 H591 TOT A 9 8.348 2.590 1.415 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.869 3.555 4.233 1.00 0.00 H new HETATM 0 H582 TOT A 9 6.778 2.236 4.718 1.00 0.00 H new HETATM 0 H581 TOT A 9 8.235 1.878 3.762 1.00 0.00 H new HETATM 0 H562 TOT A 9 5.516 1.671 1.298 1.00 0.00 H new HETATM 0 H561 TOT A 9 5.298 1.199 2.971 1.00 0.00 H new HETATM 0 H542 TOT A 9 6.057 4.753 3.128 1.00 0.00 H new HETATM 0 H541 TOT A 9 5.121 3.505 3.927 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.855 3.037 1.918 1.00 0.00 H new HETATM 0 H531 TOT A 9 4.943 3.986 0.924 1.00 0.00 H new HETATM 0 H522 TOT A 9 4.280 6.049 1.967 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.498 5.219 3.297 1.00 0.00 H new HETATM 0 H363 TOT A 9 -3.986 4.003 -1.032 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.157 5.773 -0.983 1.00 0.00 H new HETATM 0 H361 TOT A 9 -4.971 4.836 -2.258 1.00 0.00 H new HETATM 0 H293 TOT A 9 7.634 -2.441 3.249 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.664 -3.225 2.028 1.00 0.00 H new HETATM 0 H291 TOT A 9 8.768 -1.467 2.283 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.303 -2.898 -0.256 1.00 0.00 H new HETATM 0 H282 TOT A 9 6.946 -1.913 -0.854 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.347 -1.127 -0.088 1.00 0.00 H new HETATM 0 H272 TOT A 9 7.538 0.098 2.967 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.792 0.598 1.307 1.00 0.00 H new HETATM 0 H262 TOT A 9 5.685 -0.615 0.643 1.00 0.00 H new HETATM 0 H261 TOT A 9 5.489 -1.152 2.299 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.800 -3.453 2.290 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.764 -4.190 1.025 1.00 0.00 H new HETATM 0 H232 TOT A 9 5.250 -3.457 -0.709 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.450 -2.316 0.354 1.00 0.00 H new HETATM 0 H222 TOT A 9 3.939 -4.343 1.855 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.430 -5.332 0.494 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.032 -4.186 -1.089 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.103 -2.740 -1.266 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.266 -4.510 -1.366 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.614 -3.526 -0.748 1.00 0.00 H new HETATM 0 H50 TOT A 9 3.286 4.602 -0.256 1.00 0.00 H new HETATM 0 H49 TOT A 9 1.191 4.678 -1.571 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.183 5.826 1.794 1.00 0.00 H new HETATM 0 H45 TOT A 9 -1.989 6.368 4.223 1.00 0.00 H new HETATM 0 H44 TOT A 9 0.232 7.002 5.168 1.00 0.00 H new HETATM 0 H43 TOT A 9 2.269 6.706 3.779 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.767 -3.867 0.898 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.159 5.305 -0.023 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.035 5.164 -4.287 1.00 0.00 H new HETATM 0 H33 TOT A 9 -4.803 5.169 -6.760 1.00 0.00 H new HETATM 0 H32 TOT A 9 -2.551 4.877 -7.798 1.00 0.00 H new HETATM 0 H31 TOT A 9 -0.534 4.739 -6.340 1.00 0.00 H new HETATM 0 H3 TOT A 9 -7.929 -3.840 3.095 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.180 -4.551 2.396 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.611 -3.579 5.198 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.255 -4.792 2.134 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.910 -3.958 -2.631 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.563 -4.486 -4.573 1.00 0.00 H new HETATM 0 H14 TOT A 9 2.830 -5.436 -4.144 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.933 -4.836 -1.976 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.131 -3.349 5.074 1.00 0.00 H new