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= 0.00149 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= 0.00249 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 -9.779 -17.225 -4.168 1.00 0.00 O ATOM 2 C5' DC A 1 -9.533 -15.880 -3.813 1.00 0.00 C ATOM 3 C4' DC A 1 -9.162 -15.780 -2.329 1.00 0.00 C ATOM 4 O4' DC A 1 -7.941 -16.478 -2.144 1.00 0.00 O ATOM 5 C3' DC A 1 -8.938 -14.320 -1.908 1.00 0.00 C ATOM 6 O3' DC A 1 -9.736 -14.062 -0.769 1.00 0.00 O ATOM 7 C2' DC A 1 -7.444 -14.278 -1.607 1.00 0.00 C ATOM 8 C1' DC A 1 -7.096 -15.721 -1.298 1.00 0.00 C ATOM 9 N1 DC A 1 -5.674 -15.946 -1.670 1.00 0.00 N ATOM 10 C2 DC A 1 -4.693 -15.666 -0.717 1.00 0.00 C ATOM 11 O2 DC A 1 -4.993 -15.375 0.439 1.00 0.00 O ATOM 12 N3 DC A 1 -3.385 -15.718 -1.098 1.00 0.00 N ATOM 13 C4 DC A 1 -3.037 -16.002 -2.361 1.00 0.00 C ATOM 14 N4 DC A 1 -1.740 -15.999 -2.685 1.00 0.00 N ATOM 15 C5 DC A 1 -4.029 -16.235 -3.372 1.00 0.00 C ATOM 16 C6 DC A 1 -5.324 -16.187 -2.980 1.00 0.00 C ATOM 0 H5' DC A 1 -10.418 -15.276 -4.015 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.726 -15.477 -4.425 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.973 -16.197 -1.731 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.212 -13.568 -2.648 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.875 -13.903 -2.458 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.224 -13.624 -0.763 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.191 -17.813 -3.649 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.225 -15.986 -0.249 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.452 -16.212 -3.640 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.038 -15.783 -1.977 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.755 -16.439 -4.397 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.102 -16.342 -3.713 1.00 0.00 H new ATOM 29 P DG A 2 -9.838 -12.597 -0.101 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.990 -12.599 0.827 1.00 0.00 O ATOM 31 OP2 DG A 2 -9.758 -11.577 -1.170 1.00 0.00 O ATOM 32 O5' DG A 2 -8.491 -12.515 0.777 1.00 0.00 O ATOM 33 C5' DG A 2 -8.128 -13.545 1.677 1.00 0.00 C ATOM 34 C4' DG A 2 -7.345 -12.985 2.874 1.00 0.00 C ATOM 35 O4' DG A 2 -6.012 -12.779 2.431 1.00 0.00 O ATOM 36 C3' DG A 2 -7.880 -11.640 3.376 1.00 0.00 C ATOM 37 O3' DG A 2 -7.644 -11.561 4.775 1.00 0.00 O ATOM 38 C2' DG A 2 -7.000 -10.676 2.591 1.00 0.00 C ATOM 39 C1' DG A 2 -5.660 -11.418 2.594 1.00 0.00 C ATOM 40 N9 DG A 2 -4.771 -11.113 1.440 1.00 0.00 N ATOM 41 C8 DG A 2 -5.090 -11.038 0.101 1.00 0.00 C ATOM 42 N7 DG A 2 -4.066 -10.862 -0.685 1.00 0.00 N ATOM 43 C5 DG A 2 -2.980 -10.822 0.179 1.00 0.00 C ATOM 44 C6 DG A 2 -1.589 -10.665 -0.106 1.00 0.00 C ATOM 45 O6 DG A 2 -1.046 -10.557 -1.203 1.00 0.00 O ATOM 46 N1 DG A 2 -0.809 -10.643 1.045 1.00 0.00 N ATOM 47 C2 DG A 2 -1.303 -10.804 2.325 1.00 0.00 C ATOM 48 N2 DG A 2 -0.420 -10.740 3.328 1.00 0.00 N ATOM 49 N3 DG A 2 -2.606 -10.997 2.591 1.00 0.00 N ATOM 50 C4 DG A 2 -3.397 -10.984 1.481 1.00 0.00 C ATOM 0 H5' DG A 2 -7.522 -14.288 1.158 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.024 -14.055 2.031 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.431 -13.695 3.697 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.945 -11.455 3.238 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.374 -10.508 1.581 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.930 -9.700 3.071 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.125 -11.141 3.502 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.103 -11.118 -0.265 1.00 0.00 H new ATOM 0 H1 DG A 2 0.195 -10.498 0.937 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.734 -10.853 4.292 1.00 0.00 H new ATOM 0 H22 DG A 2 0.567 -10.579 3.129 1.00 0.00 H new ATOM 62 P DC A 3 -7.955 -10.233 5.650 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.156 -10.650 7.055 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.006 -9.450 4.961 1.00 0.00 O ATOM 65 O5' DC A 3 -6.569 -9.404 5.563 1.00 0.00 O ATOM 66 C5' DC A 3 -5.395 -9.885 6.190 1.00 0.00 C ATOM 67 C4' DC A 3 -4.178 -8.992 5.915 1.00 0.00 C ATOM 68 O4' DC A 3 -3.871 -9.170 4.553 1.00 0.00 O ATOM 69 C3' DC A 3 -4.365 -7.474 6.114 1.00 0.00 C ATOM 70 O3' DC A 3 -3.719 -7.029 7.294 1.00 0.00 O ATOM 71 C2' DC A 3 -3.725 -6.891 4.851 1.00 0.00 C ATOM 72 C1' DC A 3 -3.040 -8.093 4.216 1.00 0.00 C ATOM 73 N1 DC A 3 -3.002 -7.933 2.753 1.00 0.00 N ATOM 74 C2 DC A 3 -1.814 -7.562 2.128 1.00 0.00 C ATOM 75 O2 DC A 3 -0.759 -7.473 2.751 1.00 0.00 O ATOM 76 N3 DC A 3 -1.849 -7.295 0.792 1.00 0.00 N ATOM 77 C4 DC A 3 -3.001 -7.307 0.109 1.00 0.00 C ATOM 78 N4 DC A 3 -2.964 -7.162 -1.218 1.00 0.00 N ATOM 79 C5 DC A 3 -4.240 -7.543 0.786 1.00 0.00 C ATOM 80 C6 DC A 3 -4.180 -7.887 2.073 1.00 0.00 C ATOM 0 H5' DC A 3 -5.187 -10.896 5.840 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.560 -9.948 7.266 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.417 -9.293 6.635 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.405 -7.172 6.240 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.471 -6.456 4.186 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.012 -6.102 5.089 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.013 -8.224 4.556 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.830 -7.168 -1.756 1.00 0.00 H new ATOM 0 H42 DC A 3 -2.069 -7.045 -1.693 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.186 -7.446 0.275 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.094 -8.137 2.591 1.00 0.00 H new ATOM 92 P DT A 4 -4.130 -5.649 8.040 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.632 -5.738 9.431 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.569 -5.395 7.803 1.00 0.00 O ATOM 95 O5' DT A 4 -3.302 -4.470 7.309 1.00 0.00 O ATOM 96 C5' DT A 4 -3.490 -3.123 7.711 1.00 0.00 C ATOM 97 C4' DT A 4 -2.469 -2.187 7.057 1.00 0.00 C ATOM 98 O4' DT A 4 -2.713 -2.167 5.669 1.00 0.00 O ATOM 99 C3' DT A 4 -2.641 -0.736 7.533 1.00 0.00 C ATOM 100 O3' DT A 4 -1.587 -0.406 8.421 1.00 0.00 O ATOM 101 C2' DT A 4 -2.620 0.082 6.236 1.00 0.00 C ATOM 102 C1' DT A 4 -2.207 -0.944 5.186 1.00 0.00 C ATOM 103 N1 DT A 4 -2.812 -0.726 3.845 1.00 0.00 N ATOM 104 C2 DT A 4 -1.963 -0.689 2.743 1.00 0.00 C ATOM 105 O2 DT A 4 -0.738 -0.686 2.831 1.00 0.00 O ATOM 106 N3 DT A 4 -2.576 -0.655 1.501 1.00 0.00 N ATOM 107 C4 DT A 4 -3.940 -0.660 1.255 1.00 0.00 C ATOM 108 O4 DT A 4 -4.355 -0.658 0.099 1.00 0.00 O ATOM 109 C5 DT A 4 -4.757 -0.669 2.453 1.00 0.00 C ATOM 110 C7 DT A 4 -6.268 -0.646 2.327 1.00 0.00 C ATOM 111 C6 DT A 4 -4.180 -0.702 3.680 1.00 0.00 C ATOM 0 H5' DT A 4 -3.406 -3.052 8.795 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.498 -2.802 7.448 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.474 -2.550 7.316 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.558 -0.548 8.091 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.596 0.513 6.016 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.912 0.909 6.292 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.127 -0.893 5.051 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.963 -0.623 0.687 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.712 -1.168 3.175 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.616 0.387 2.314 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.563 -1.140 1.401 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.813 -0.710 4.555 1.00 0.00 H new ATOM 124 P DA A 5 -1.473 1.045 9.126 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.745 0.879 10.403 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.810 1.680 9.120 1.00 0.00 O ATOM 127 O5' DA A 5 -0.527 1.866 8.109 1.00 0.00 O ATOM 128 C5' DA A 5 0.839 1.542 7.950 1.00 0.00 C ATOM 129 C4' DA A 5 1.617 2.416 6.981 1.00 0.00 C ATOM 130 O4' DA A 5 1.034 2.249 5.694 1.00 0.00 O ATOM 131 C3' DA A 5 1.442 3.848 7.460 1.00 0.00 C ATOM 132 O3' DA A 5 2.522 4.681 7.118 1.00 0.00 O ATOM 133 C2' DA A 5 0.263 4.221 6.596 1.00 0.00 C ATOM 134 C1' DA A 5 0.487 3.481 5.274 1.00 0.00 C ATOM 135 N9 DA A 5 -0.776 3.183 4.537 1.00 0.00 N ATOM 136 C8 DA A 5 -2.098 3.321 4.908 1.00 0.00 C ATOM 137 N7 DA A 5 -2.958 3.101 3.952 1.00 0.00 N ATOM 138 C5 DA A 5 -2.161 2.762 2.872 1.00 0.00 C ATOM 139 C6 DA A 5 -2.442 2.456 1.524 1.00 0.00 C ATOM 140 N6 DA A 5 -3.671 2.484 0.996 1.00 0.00 N ATOM 141 N1 DA A 5 -1.417 2.118 0.726 1.00 0.00 N ATOM 142 C2 DA A 5 -0.185 2.098 1.223 1.00 0.00 C ATOM 143 N3 DA A 5 0.212 2.398 2.451 1.00 0.00 N ATOM 144 C4 DA A 5 -0.838 2.738 3.240 1.00 0.00 C ATOM 0 H5' DA A 5 0.911 0.507 7.615 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.322 1.595 8.926 1.00 0.00 H new ATOM 0 H4' DA A 5 2.676 2.161 6.932 1.00 0.00 H new ATOM 0 H3' DA A 5 1.345 3.946 8.541 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.677 3.922 7.061 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.213 5.299 6.441 1.00 0.00 H new ATOM 0 H1' DA A 5 1.100 4.078 4.599 1.00 0.00 H new ATOM 0 H8 DA A 5 -2.397 3.590 5.910 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.809 2.252 0.012 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.470 2.737 1.577 1.00 0.00 H new ATOM 0 H2 DA A 5 0.594 1.798 0.537 1.00 0.00 H new ATOM 156 P DG A 6 3.965 4.693 7.861 1.00 0.00 P ATOM 157 OP1 DG A 6 4.682 3.443 7.521 1.00 0.00 O ATOM 158 OP2 DG A 6 3.781 5.093 9.273 1.00 0.00 O ATOM 159 O5' DG A 6 4.659 5.914 7.048 1.00 0.00 O ATOM 160 C5' DG A 6 4.082 6.278 5.812 1.00 0.00 C ATOM 161 C4' DG A 6 4.862 7.127 4.815 1.00 0.00 C ATOM 162 O4' DG A 6 3.867 7.488 3.880 1.00 0.00 O ATOM 163 C3' DG A 6 5.353 8.411 5.476 1.00 0.00 C ATOM 164 O3' DG A 6 6.321 9.158 4.756 1.00 0.00 O ATOM 165 C2' DG A 6 4.095 9.256 5.411 1.00 0.00 C ATOM 166 C1' DG A 6 3.648 8.873 3.998 1.00 0.00 C ATOM 167 N9 DG A 6 2.244 9.181 3.662 1.00 0.00 N ATOM 168 C8 DG A 6 1.218 9.663 4.439 1.00 0.00 C ATOM 169 N7 DG A 6 0.080 9.766 3.809 1.00 0.00 N ATOM 170 C5 DG A 6 0.364 9.309 2.526 1.00 0.00 C ATOM 171 C6 DG A 6 -0.498 9.078 1.412 1.00 0.00 C ATOM 172 O6 DG A 6 -1.712 9.259 1.336 1.00 0.00 O ATOM 173 N1 DG A 6 0.192 8.579 0.310 1.00 0.00 N ATOM 174 C2 DG A 6 1.536 8.265 0.295 1.00 0.00 C ATOM 175 N2 DG A 6 2.051 7.782 -0.839 1.00 0.00 N ATOM 176 N3 DG A 6 2.332 8.427 1.358 1.00 0.00 N ATOM 177 C4 DG A 6 1.689 8.959 2.430 1.00 0.00 C ATOM 0 H5' DG A 6 3.157 6.810 6.033 1.00 0.00 H new ATOM 0 H5'' DG A 6 3.805 5.355 5.302 1.00 0.00 H new ATOM 0 H4' DG A 6 5.726 6.605 4.404 1.00 0.00 H new ATOM 0 H3' DG A 6 5.811 8.175 6.437 1.00 0.00 H new ATOM 0 H2' DG A 6 3.364 8.989 6.174 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.294 10.322 5.519 1.00 0.00 H new ATOM 0 H1' DG A 6 4.225 9.475 3.297 1.00 0.00 H new ATOM 0 H8 DG A 6 1.342 9.932 5.477 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.336 8.435 -0.551 1.00 0.00 H new ATOM 0 H21 DG A 6 3.040 7.539 -0.887 1.00 0.00 H new ATOM 0 H22 DG A 6 1.455 7.656 -1.657 1.00 0.00 H new ATOM 189 P DC A 7 7.784 8.636 4.327 1.00 0.00 P ATOM 190 OP1 DC A 7 7.885 7.170 4.504 1.00 0.00 O ATOM 191 OP2 DC A 7 8.791 9.526 4.946 1.00 0.00 O ATOM 192 O5' DC A 7 7.703 8.977 2.751 1.00 0.00 O ATOM 193 C5' DC A 7 7.168 8.069 1.806 1.00 0.00 C ATOM 194 C4' DC A 7 6.568 8.803 0.595 1.00 0.00 C ATOM 195 O4' DC A 7 5.272 9.268 0.965 1.00 0.00 O ATOM 196 C3' DC A 7 7.377 10.035 0.138 1.00 0.00 C ATOM 197 O3' DC A 7 7.474 10.006 -1.283 1.00 0.00 O ATOM 198 C2' DC A 7 6.463 11.157 0.646 1.00 0.00 C ATOM 199 C1' DC A 7 5.107 10.527 0.353 1.00 0.00 C ATOM 200 N1 DC A 7 3.891 11.257 0.839 1.00 0.00 N ATOM 201 C2 DC A 7 2.750 11.238 0.024 1.00 0.00 C ATOM 202 O2 DC A 7 2.770 10.784 -1.118 1.00 0.00 O ATOM 203 N3 DC A 7 1.583 11.738 0.516 1.00 0.00 N ATOM 204 C4 DC A 7 1.524 12.311 1.723 1.00 0.00 C ATOM 205 N4 DC A 7 0.342 12.765 2.152 1.00 0.00 N ATOM 206 C5 DC A 7 2.705 12.464 2.525 1.00 0.00 C ATOM 207 C6 DC A 7 3.854 11.928 2.044 1.00 0.00 C ATOM 0 H5' DC A 7 6.399 7.459 2.281 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.951 7.389 1.469 1.00 0.00 H new ATOM 0 H4' DC A 7 6.562 8.091 -0.231 1.00 0.00 H new ATOM 0 H3' DC A 7 8.402 10.120 0.499 1.00 0.00 H new ATOM 0 H2' DC A 7 6.607 11.368 1.706 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.614 12.095 0.111 1.00 0.00 H new ATOM 0 H1' DC A 7 4.887 10.519 -0.715 1.00 0.00 H new ATOM 0 H41 DC A 7 0.267 13.206 3.068 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.485 12.670 1.563 1.00 0.00 H new ATOM 0 H5 DC A 7 2.679 12.984 3.471 1.00 0.00 H new ATOM 0 H6 DC A 7 4.763 12.029 2.619 1.00 0.00 H new ATOM 219 P DG A 8 8.342 11.079 -2.137 1.00 0.00 P ATOM 220 OP1 DG A 8 9.472 10.354 -2.760 1.00 0.00 O ATOM 221 OP2 DG A 8 8.611 12.264 -1.292 1.00 0.00 O ATOM 222 O5' DG A 8 7.321 11.524 -3.315 1.00 0.00 O ATOM 223 C5' DG A 8 5.972 11.836 -3.025 1.00 0.00 C ATOM 224 C4' DG A 8 5.466 13.100 -3.678 1.00 0.00 C ATOM 225 O4' DG A 8 4.175 13.146 -3.128 1.00 0.00 O ATOM 226 C3' DG A 8 6.120 14.397 -3.219 1.00 0.00 C ATOM 227 O3' DG A 8 7.142 14.812 -4.100 1.00 0.00 O ATOM 228 C2' DG A 8 4.928 15.357 -3.264 1.00 0.00 C ATOM 229 C1' DG A 8 3.701 14.436 -3.332 1.00 0.00 C ATOM 230 N9 DG A 8 2.763 14.667 -2.214 1.00 0.00 N ATOM 231 C8 DG A 8 3.038 14.602 -0.872 1.00 0.00 C ATOM 232 N7 DG A 8 2.005 14.799 -0.106 1.00 0.00 N ATOM 233 C5 DG A 8 0.960 14.994 -1.002 1.00 0.00 C ATOM 234 C6 DG A 8 -0.425 15.225 -0.754 1.00 0.00 C ATOM 235 O6 DG A 8 -1.002 15.266 0.329 1.00 0.00 O ATOM 236 N1 DG A 8 -1.149 15.421 -1.927 1.00 0.00 N ATOM 237 C2 DG A 8 -0.612 15.355 -3.199 1.00 0.00 C ATOM 238 N2 DG A 8 -1.450 15.538 -4.224 1.00 0.00 N ATOM 239 N3 DG A 8 0.689 15.109 -3.437 1.00 0.00 N ATOM 240 C4 DG A 8 1.419 14.942 -2.299 1.00 0.00 C ATOM 0 H5' DG A 8 5.858 11.930 -1.945 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.344 11.003 -3.340 1.00 0.00 H new ATOM 0 H4' DG A 8 5.615 13.055 -4.757 1.00 0.00 H new ATOM 0 H3' DG A 8 6.612 14.326 -2.249 1.00 0.00 H new ATOM 0 H2' DG A 8 4.898 15.995 -2.381 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.980 16.015 -4.131 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.536 15.648 -3.773 1.00 0.00 H new ATOM 0 H1' DG A 8 3.195 14.609 -4.282 1.00 0.00 H new ATOM 0 H8 DG A 8 4.027 14.404 -0.485 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.144 15.628 -1.842 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.101 15.499 -5.182 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.439 15.717 -4.049 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -10.345 19.072 -1.999 1.00 0.00 O ATOM 255 C5' DC B 1 -10.056 17.698 -2.148 1.00 0.00 C ATOM 256 C4' DC B 1 -8.971 17.497 -3.213 1.00 0.00 C ATOM 257 O4' DC B 1 -7.788 18.120 -2.739 1.00 0.00 O ATOM 258 C3' DC B 1 -8.668 16.006 -3.421 1.00 0.00 C ATOM 259 O3' DC B 1 -8.775 15.721 -4.802 1.00 0.00 O ATOM 260 C2' DC B 1 -7.242 15.873 -2.897 1.00 0.00 C ATOM 261 C1' DC B 1 -6.681 17.278 -3.004 1.00 0.00 C ATOM 262 N1 DC B 1 -5.649 17.453 -1.948 1.00 0.00 N ATOM 263 C2 DC B 1 -4.336 17.083 -2.243 1.00 0.00 C ATOM 264 O2 DC B 1 -4.010 16.744 -3.380 1.00 0.00 O ATOM 265 N3 DC B 1 -3.414 17.102 -1.239 1.00 0.00 N ATOM 266 C4 DC B 1 -3.755 17.439 0.014 1.00 0.00 C ATOM 267 N4 DC B 1 -2.817 17.408 0.965 1.00 0.00 N ATOM 268 C5 DC B 1 -5.111 17.762 0.354 1.00 0.00 C ATOM 269 C6 DC B 1 -6.015 17.747 -0.654 1.00 0.00 C ATOM 0 H5' DC B 1 -10.959 17.158 -2.432 1.00 0.00 H new ATOM 0 H5'' DC B 1 -9.723 17.284 -1.196 1.00 0.00 H new ATOM 0 H4' DC B 1 -9.313 17.921 -4.157 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.341 15.313 -2.916 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.226 15.514 -1.868 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.663 15.165 -3.490 1.00 0.00 H new ATOM 0 HO5' DC B 1 -9.554 19.600 -2.234 1.00 0.00 H new ATOM 0 H1' DC B 1 -6.224 17.492 -3.970 1.00 0.00 H new ATOM 0 H41 DC B 1 -3.055 17.660 1.924 1.00 0.00 H new ATOM 0 H42 DC B 1 -1.863 17.132 0.732 1.00 0.00 H new ATOM 0 H5 DC B 1 -5.397 18.006 1.366 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.049 17.971 -0.437 1.00 0.00 H new ATOM 282 P DG B 2 -8.619 14.227 -5.389 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.123 14.229 -6.780 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.174 13.267 -4.409 1.00 0.00 O ATOM 285 O5' DG B 2 -7.021 14.031 -5.438 1.00 0.00 O ATOM 286 C5' DG B 2 -6.175 14.995 -6.035 1.00 0.00 C ATOM 287 C4' DG B 2 -4.914 14.342 -6.622 1.00 0.00 C ATOM 288 O4' DG B 2 -4.029 14.115 -5.537 1.00 0.00 O ATOM 289 C3' DG B 2 -5.180 12.992 -7.295 1.00 0.00 C ATOM 290 O3' DG B 2 -4.236 12.830 -8.346 1.00 0.00 O ATOM 291 C2' DG B 2 -4.916 12.043 -6.133 1.00 0.00 C ATOM 292 C1' DG B 2 -3.735 12.734 -5.445 1.00 0.00 C ATOM 293 N9 DG B 2 -3.605 12.467 -3.987 1.00 0.00 N ATOM 294 C8 DG B 2 -4.582 12.466 -3.015 1.00 0.00 C ATOM 295 N7 DG B 2 -4.131 12.309 -1.802 1.00 0.00 N ATOM 296 C5 DG B 2 -2.756 12.203 -1.965 1.00 0.00 C ATOM 297 C6 DG B 2 -1.727 12.030 -0.988 1.00 0.00 C ATOM 298 O6 DG B 2 -1.838 11.980 0.234 1.00 0.00 O ATOM 299 N1 DG B 2 -0.466 11.912 -1.562 1.00 0.00 N ATOM 300 C2 DG B 2 -0.209 12.018 -2.914 1.00 0.00 C ATOM 301 N2 DG B 2 1.059 11.859 -3.307 1.00 0.00 N ATOM 302 N3 DG B 2 -1.169 12.242 -3.826 1.00 0.00 N ATOM 303 C4 DG B 2 -2.422 12.308 -3.295 1.00 0.00 C ATOM 0 H5' DG B 2 -5.889 15.741 -5.293 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.716 15.519 -6.823 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.514 15.008 -7.386 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.163 12.852 -7.745 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.779 11.950 -5.474 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.664 11.038 -6.472 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.821 12.380 -5.922 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.632 12.585 -3.239 1.00 0.00 H new ATOM 0 H1 DG B 2 0.324 11.735 -0.941 1.00 0.00 H new ATOM 0 H21 DG B 2 1.299 11.928 -4.296 1.00 0.00 H new ATOM 0 H22 DG B 2 1.786 11.668 -2.618 1.00 0.00 H new ATOM 315 P DC B 3 -4.096 11.464 -9.208 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.494 11.812 -10.515 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.389 10.745 -9.167 1.00 0.00 O ATOM 318 O5' DC B 3 -3.012 10.607 -8.367 1.00 0.00 O ATOM 319 C5' DC B 3 -1.662 11.026 -8.282 1.00 0.00 C ATOM 320 C4' DC B 3 -0.833 10.136 -7.346 1.00 0.00 C ATOM 321 O4' DC B 3 -1.343 10.368 -6.055 1.00 0.00 O ATOM 322 C3' DC B 3 -0.928 8.613 -7.563 1.00 0.00 C ATOM 323 O3' DC B 3 0.238 8.097 -8.180 1.00 0.00 O ATOM 324 C2' DC B 3 -1.120 8.077 -6.140 1.00 0.00 C ATOM 325 C1' DC B 3 -0.870 9.304 -5.276 1.00 0.00 C ATOM 326 N1 DC B 3 -1.649 9.199 -4.033 1.00 0.00 N ATOM 327 C2 DC B 3 -1.010 8.831 -2.853 1.00 0.00 C ATOM 328 O2 DC B 3 0.210 8.707 -2.797 1.00 0.00 O ATOM 329 N3 DC B 3 -1.778 8.610 -1.750 1.00 0.00 N ATOM 330 C4 DC B 3 -3.114 8.658 -1.809 1.00 0.00 C ATOM 331 N4 DC B 3 -3.803 8.558 -0.669 1.00 0.00 N ATOM 332 C5 DC B 3 -3.774 8.888 -3.062 1.00 0.00 C ATOM 333 C6 DC B 3 -3.007 9.189 -4.112 1.00 0.00 C ATOM 0 H5' DC B 3 -1.625 12.056 -7.927 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.218 11.016 -9.277 1.00 0.00 H new ATOM 0 H4' DC B 3 0.209 10.399 -7.526 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.735 8.322 -8.236 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.123 7.676 -5.991 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.419 7.274 -5.913 1.00 0.00 H new ATOM 0 H1' DC B 3 0.176 9.424 -4.993 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.822 8.592 -0.685 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.310 8.448 0.217 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.848 8.820 -3.152 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.479 9.432 -5.053 1.00 0.00 H new ATOM 345 P DT B 4 0.296 6.594 -8.784 1.00 0.00 P ATOM 346 OP1 DT B 4 1.228 6.617 -9.932 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.087 6.104 -8.980 1.00 0.00 O ATOM 348 O5' DT B 4 0.969 5.694 -7.626 1.00 0.00 O ATOM 349 C5' DT B 4 1.359 4.360 -7.903 1.00 0.00 C ATOM 350 C4' DT B 4 1.969 3.690 -6.668 1.00 0.00 C ATOM 351 O4' DT B 4 0.955 3.544 -5.697 1.00 0.00 O ATOM 352 C3' DT B 4 2.462 2.271 -6.988 1.00 0.00 C ATOM 353 O3' DT B 4 3.878 2.264 -6.925 1.00 0.00 O ATOM 354 C2' DT B 4 1.805 1.399 -5.911 1.00 0.00 C ATOM 355 C1' DT B 4 1.305 2.432 -4.904 1.00 0.00 C ATOM 356 N1 DT B 4 0.077 2.040 -4.158 1.00 0.00 N ATOM 357 C2 DT B 4 0.124 2.062 -2.767 1.00 0.00 C ATOM 358 O2 DT B 4 1.170 2.136 -2.125 1.00 0.00 O ATOM 359 N3 DT B 4 -1.096 1.997 -2.115 1.00 0.00 N ATOM 360 C4 DT B 4 -2.344 1.882 -2.703 1.00 0.00 C ATOM 361 O4 DT B 4 -3.356 1.879 -2.003 1.00 0.00 O ATOM 362 C5 DT B 4 -2.304 1.775 -4.149 1.00 0.00 C ATOM 363 C7 DT B 4 -3.600 1.605 -4.919 1.00 0.00 C ATOM 364 C6 DT B 4 -1.123 1.858 -4.814 1.00 0.00 C ATOM 0 H5' DT B 4 2.083 4.352 -8.718 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.494 3.788 -8.239 1.00 0.00 H new ATOM 0 H4' DT B 4 2.801 4.307 -6.327 1.00 0.00 H new ATOM 0 H3' DT B 4 2.202 1.906 -7.982 1.00 0.00 H new ATOM 0 H2' DT B 4 0.989 0.800 -6.316 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.516 0.706 -5.461 1.00 0.00 H new ATOM 0 H1' DT B 4 2.080 2.589 -4.154 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.073 2.038 -1.096 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.498 2.055 -5.906 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.823 0.543 -5.026 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.411 2.094 -4.379 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.123 1.779 -5.891 1.00 0.00 H new ATOM 377 P DA B 5 4.771 1.039 -7.490 1.00 0.00 P ATOM 378 OP1 DA B 5 6.125 1.561 -7.775 1.00 0.00 O ATOM 379 OP2 DA B 5 4.010 0.358 -8.561 1.00 0.00 O ATOM 380 O5' DA B 5 4.879 0.027 -6.240 1.00 0.00 O ATOM 381 C5' DA B 5 5.668 0.329 -5.104 1.00 0.00 C ATOM 382 C4' DA B 5 5.686 -0.705 -3.975 1.00 0.00 C ATOM 383 O4' DA B 5 4.481 -0.538 -3.206 1.00 0.00 O ATOM 384 C3' DA B 5 5.750 -2.084 -4.631 1.00 0.00 C ATOM 385 O3' DA B 5 6.490 -3.044 -3.913 1.00 0.00 O ATOM 386 C2' DA B 5 4.262 -2.346 -4.522 1.00 0.00 C ATOM 387 C1' DA B 5 3.706 -1.725 -3.269 1.00 0.00 C ATOM 388 N9 DA B 5 2.240 -1.444 -3.299 1.00 0.00 N ATOM 389 C8 DA B 5 1.295 -1.649 -4.290 1.00 0.00 C ATOM 390 N7 DA B 5 0.061 -1.493 -3.905 1.00 0.00 N ATOM 391 C5 DA B 5 0.180 -1.199 -2.559 1.00 0.00 C ATOM 392 C6 DA B 5 -0.774 -1.027 -1.541 1.00 0.00 C ATOM 393 N6 DA B 5 -2.089 -1.110 -1.770 1.00 0.00 N ATOM 394 N1 DA B 5 -0.333 -0.801 -0.291 1.00 0.00 N ATOM 395 C2 DA B 5 0.977 -0.753 -0.062 1.00 0.00 C ATOM 396 N3 DA B 5 1.972 -0.910 -0.928 1.00 0.00 N ATOM 397 C4 DA B 5 1.499 -1.141 -2.183 1.00 0.00 C ATOM 0 H5' DA B 5 5.319 1.275 -4.691 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.694 0.486 -5.436 1.00 0.00 H new ATOM 0 H4' DA B 5 6.539 -0.588 -3.307 1.00 0.00 H new ATOM 0 H3' DA B 5 6.232 -2.130 -5.608 1.00 0.00 H new ATOM 0 H2' DA B 5 3.751 -1.939 -5.394 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.076 -3.420 -4.516 1.00 0.00 H new ATOM 0 H1' DA B 5 3.777 -2.382 -2.402 1.00 0.00 H new ATOM 0 H8 DA B 5 1.560 -1.917 -5.302 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.749 -0.979 -1.004 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.431 -1.304 -2.711 1.00 0.00 H new ATOM 0 H2 DA B 5 1.269 -0.562 0.960 1.00 0.00 H new ATOM 409 P DG B 6 8.045 -3.418 -4.251 1.00 0.00 P ATOM 410 OP1 DG B 6 8.891 -2.274 -3.846 1.00 0.00 O ATOM 411 OP2 DG B 6 8.111 -3.938 -5.634 1.00 0.00 O ATOM 412 O5' DG B 6 8.319 -4.654 -3.225 1.00 0.00 O ATOM 413 C5' DG B 6 7.231 -5.081 -2.441 1.00 0.00 C ATOM 414 C4' DG B 6 7.343 -6.076 -1.293 1.00 0.00 C ATOM 415 O4' DG B 6 5.996 -6.382 -0.997 1.00 0.00 O ATOM 416 C3' DG B 6 8.017 -7.346 -1.782 1.00 0.00 C ATOM 417 O3' DG B 6 8.505 -8.254 -0.806 1.00 0.00 O ATOM 418 C2' DG B 6 6.833 -8.058 -2.409 1.00 0.00 C ATOM 419 C1' DG B 6 5.779 -7.727 -1.348 1.00 0.00 C ATOM 420 N9 DG B 6 4.373 -7.871 -1.776 1.00 0.00 N ATOM 421 C8 DG B 6 3.847 -8.197 -3.001 1.00 0.00 C ATOM 422 N7 DG B 6 2.546 -8.246 -3.031 1.00 0.00 N ATOM 423 C5 DG B 6 2.175 -7.898 -1.740 1.00 0.00 C ATOM 424 C6 DG B 6 0.880 -7.687 -1.187 1.00 0.00 C ATOM 425 O6 DG B 6 -0.206 -7.786 -1.751 1.00 0.00 O ATOM 426 N1 DG B 6 0.934 -7.323 0.155 1.00 0.00 N ATOM 427 C2 DG B 6 2.099 -7.120 0.869 1.00 0.00 C ATOM 428 N2 DG B 6 1.981 -6.781 2.157 1.00 0.00 N ATOM 429 N3 DG B 6 3.318 -7.265 0.334 1.00 0.00 N ATOM 430 C4 DG B 6 3.286 -7.660 -0.967 1.00 0.00 C ATOM 0 H5' DG B 6 6.502 -5.499 -3.135 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.788 -4.179 -2.019 1.00 0.00 H new ATOM 0 H4' DG B 6 7.912 -5.686 -0.449 1.00 0.00 H new ATOM 0 H3' DG B 6 8.891 -7.075 -2.374 1.00 0.00 H new ATOM 0 H2' DG B 6 6.578 -7.668 -3.394 1.00 0.00 H new ATOM 0 H2'' DG B 6 6.996 -9.130 -2.523 1.00 0.00 H new ATOM 0 H1' DG B 6 5.901 -8.441 -0.533 1.00 0.00 H new ATOM 0 H8 DG B 6 4.460 -8.396 -3.867 1.00 0.00 H new ATOM 0 H1 DG B 6 0.049 -7.197 0.647 1.00 0.00 H new ATOM 0 H21 DG B 6 2.816 -6.622 2.721 1.00 0.00 H new ATOM 0 H22 DG B 6 1.056 -6.682 2.576 1.00 0.00 H new ATOM 442 P DC B 7 9.509 -7.902 0.408 1.00 0.00 P ATOM 443 OP1 DC B 7 9.756 -6.444 0.473 1.00 0.00 O ATOM 444 OP2 DC B 7 10.650 -8.841 0.344 1.00 0.00 O ATOM 445 O5' DC B 7 8.563 -8.341 1.642 1.00 0.00 O ATOM 446 C5' DC B 7 7.702 -7.432 2.302 1.00 0.00 C ATOM 447 C4' DC B 7 6.527 -8.157 2.978 1.00 0.00 C ATOM 448 O4' DC B 7 5.576 -8.482 1.968 1.00 0.00 O ATOM 449 C3' DC B 7 6.910 -9.479 3.677 1.00 0.00 C ATOM 450 O3' DC B 7 6.272 -9.503 4.951 1.00 0.00 O ATOM 451 C2' DC B 7 6.308 -10.492 2.695 1.00 0.00 C ATOM 452 C1' DC B 7 5.041 -9.741 2.306 1.00 0.00 C ATOM 453 N1 DC B 7 4.204 -10.326 1.208 1.00 0.00 N ATOM 454 C2 DC B 7 2.809 -10.239 1.335 1.00 0.00 C ATOM 455 O2 DC B 7 2.269 -9.852 2.370 1.00 0.00 O ATOM 456 N3 DC B 7 2.029 -10.596 0.278 1.00 0.00 N ATOM 457 C4 DC B 7 2.563 -11.097 -0.842 1.00 0.00 C ATOM 458 N4 DC B 7 1.743 -11.412 -1.850 1.00 0.00 N ATOM 459 C5 DC B 7 3.977 -11.319 -0.951 1.00 0.00 C ATOM 460 C6 DC B 7 4.750 -10.923 0.090 1.00 0.00 C ATOM 0 H5' DC B 7 7.319 -6.706 1.585 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.265 -6.874 3.050 1.00 0.00 H new ATOM 0 H4' DC B 7 6.147 -7.482 3.745 1.00 0.00 H new ATOM 0 H3' DC B 7 7.968 -9.653 3.871 1.00 0.00 H new ATOM 0 H2' DC B 7 6.958 -10.686 1.842 1.00 0.00 H new ATOM 0 H2'' DC B 7 6.098 -11.454 3.162 1.00 0.00 H new ATOM 0 H1' DC B 7 4.307 -9.753 3.112 1.00 0.00 H new ATOM 0 H41 DC B 7 2.123 -11.796 -2.715 1.00 0.00 H new ATOM 0 H42 DC B 7 0.738 -11.269 -1.753 1.00 0.00 H new ATOM 0 H5 DC B 7 4.407 -11.782 -1.826 1.00 0.00 H new ATOM 0 H6 DC B 7 5.818 -11.078 0.043 1.00 0.00 H new ATOM 472 P DG B 8 6.507 -10.680 6.043 1.00 0.00 P ATOM 473 OP1 DG B 8 7.208 -10.088 7.204 1.00 0.00 O ATOM 474 OP2 DG B 8 7.088 -11.860 5.363 1.00 0.00 O ATOM 475 O5' DG B 8 5.001 -11.059 6.506 1.00 0.00 O ATOM 476 C5' DG B 8 3.969 -11.225 5.553 1.00 0.00 C ATOM 477 C4' DG B 8 3.111 -12.449 5.762 1.00 0.00 C ATOM 478 O4' DG B 8 2.282 -12.348 4.632 1.00 0.00 O ATOM 479 C3' DG B 8 3.812 -13.792 5.597 1.00 0.00 C ATOM 480 O3' DG B 8 4.213 -14.333 6.838 1.00 0.00 O ATOM 481 C2' DG B 8 2.699 -14.627 4.960 1.00 0.00 C ATOM 482 C1' DG B 8 1.679 -13.589 4.469 1.00 0.00 C ATOM 483 N9 DG B 8 1.428 -13.693 3.017 1.00 0.00 N ATOM 484 C8 DG B 8 2.351 -13.618 2.007 1.00 0.00 C ATOM 485 N7 DG B 8 1.843 -13.697 0.811 1.00 0.00 N ATOM 486 C5 DG B 8 0.479 -13.825 1.041 1.00 0.00 C ATOM 487 C6 DG B 8 -0.597 -13.938 0.111 1.00 0.00 C ATOM 488 O6 DG B 8 -0.543 -13.900 -1.115 1.00 0.00 O ATOM 489 N1 DG B 8 -1.826 -14.113 0.741 1.00 0.00 N ATOM 490 C2 DG B 8 -2.009 -14.128 2.112 1.00 0.00 C ATOM 491 N2 DG B 8 -3.260 -14.286 2.557 1.00 0.00 N ATOM 492 N3 DG B 8 -1.001 -13.992 2.990 1.00 0.00 N ATOM 493 C4 DG B 8 0.214 -13.850 2.391 1.00 0.00 C ATOM 0 H5' DG B 8 4.415 -11.275 4.560 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.330 -10.342 5.571 1.00 0.00 H new ATOM 0 H4' DG B 8 2.691 -12.450 6.768 1.00 0.00 H new ATOM 0 H3' DG B 8 4.732 -13.744 5.015 1.00 0.00 H new ATOM 0 H2' DG B 8 3.078 -15.233 4.137 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.253 -15.312 5.681 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.657 -15.194 6.691 1.00 0.00 H new ATOM 0 H1' DG B 8 0.748 -13.736 5.017 1.00 0.00 H new ATOM 0 H8 DG B 8 3.410 -13.503 2.188 1.00 0.00 H new ATOM 0 H1 DG B 8 -2.648 -14.239 0.151 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.446 -14.304 3.560 1.00 0.00 H new ATOM 0 H22 DG B 8 -4.028 -14.389 1.894 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.917 -3.865 3.704 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.299 -4.089 3.714 1.00 0.00 C HETATM 509 C3 TOT A 9 -6.970 -4.289 2.501 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.249 -4.291 1.295 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.008 -4.097 0.166 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.490 -4.070 -1.238 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.711 -4.087 0.582 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.602 -4.196 -0.382 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.515 -3.953 2.216 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.184 -3.963 2.500 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.841 -4.135 1.277 1.00 0.00 C HETATM 518 C12 TOT A 9 2.106 -4.308 -1.252 1.00 0.00 C HETATM 519 C13 TOT A 9 2.929 -4.754 -2.318 1.00 0.00 C HETATM 520 C14 TOT A 9 2.349 -5.186 -3.511 1.00 0.00 C HETATM 521 C15 TOT A 9 1.009 -4.921 -3.772 1.00 0.00 C HETATM 522 C16 TOT A 9 0.174 -4.482 -2.735 1.00 0.00 C HETATM 523 C17 TOT A 9 0.683 -4.306 -1.422 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.177 -4.129 -0.286 1.00 0.00 C HETATM 525 C19 TOT A 9 0.442 -3.883 0.952 1.00 0.00 C HETATM 526 C20 TOT A 9 1.821 -3.755 1.050 1.00 0.00 C HETATM 527 N21 TOT A 9 2.648 -3.894 -0.029 1.00 0.00 N HETATM 528 C22 TOT A 9 4.044 -3.597 0.389 1.00 0.00 C HETATM 529 C23 TOT A 9 5.097 -2.744 -0.321 1.00 0.00 C HETATM 530 C24 TOT A 9 6.340 -2.728 0.608 1.00 0.00 C HETATM 531 N25 TOT A 9 7.374 -1.678 0.355 1.00 0.00 N HETATM 532 C26 TOT A 9 6.843 -0.284 0.458 1.00 0.00 C HETATM 533 C27 TOT A 9 6.217 0.077 1.818 1.00 0.00 C HETATM 534 C28 TOT A 9 7.968 -1.835 -0.990 1.00 0.00 C HETATM 535 C29 TOT A 9 8.478 -1.884 1.332 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.276 4.902 -5.832 1.00 0.00 C HETATM 537 C32 TOT A 9 -3.381 5.094 -6.673 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.624 5.417 -6.112 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.762 5.500 -4.718 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.645 5.346 -2.473 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.866 5.346 -1.630 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.358 5.341 -2.034 1.00 0.00 C HETATM 543 C38 TOT A 9 -2.053 5.477 -0.602 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.221 5.176 -3.220 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.396 5.108 -4.439 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.647 5.346 -3.860 1.00 0.00 C HETATM 547 C42 TOT A 9 0.382 5.723 2.267 1.00 0.00 C HETATM 548 C43 TOT A 9 0.471 6.347 3.523 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.677 6.667 4.241 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.926 6.374 3.689 1.00 0.00 C HETATM 551 C46 TOT A 9 -2.026 5.963 2.343 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.858 5.686 1.580 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.868 5.370 0.183 1.00 0.00 C HETATM 554 C49 TOT A 9 0.349 4.942 -0.397 1.00 0.00 C HETATM 555 C50 TOT A 9 1.509 4.803 0.377 1.00 0.00 C HETATM 556 N51 TOT A 9 1.512 5.153 1.701 1.00 0.00 N HETATM 557 C52 TOT A 9 2.769 4.899 2.441 1.00 0.00 C HETATM 558 C53 TOT A 9 3.333 3.471 2.323 1.00 0.00 C HETATM 559 C54 TOT A 9 4.711 3.419 3.003 1.00 0.00 C HETATM 560 N55 TOT A 9 5.312 2.060 3.151 1.00 0.00 N HETATM 561 C56 TOT A 9 5.737 1.540 1.816 1.00 0.00 C HETATM 562 C58 TOT A 9 4.356 1.133 3.810 1.00 0.00 C HETATM 563 C59 TOT A 9 6.491 2.225 4.045 1.00 0.00 C HETATM 0 H593 TOT A 9 7.198 2.920 3.591 1.00 0.00 H new HETATM 0 H592 TOT A 9 6.165 2.617 5.008 1.00 0.00 H new HETATM 0 H591 TOT A 9 6.975 1.259 4.191 1.00 0.00 H new HETATM 0 H583 TOT A 9 4.101 1.515 4.799 1.00 0.00 H new HETATM 0 H582 TOT A 9 3.451 1.054 3.207 1.00 0.00 H new HETATM 0 H581 TOT A 9 4.813 0.148 3.908 1.00 0.00 H new HETATM 0 H562 TOT A 9 6.540 2.171 1.434 1.00 0.00 H new HETATM 0 H561 TOT A 9 4.901 1.633 1.122 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.401 4.040 2.432 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.624 3.867 3.993 1.00 0.00 H new HETATM 0 H532 TOT A 9 2.655 2.758 2.792 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.420 3.186 1.275 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.526 5.600 2.088 1.00 0.00 H new HETATM 0 H521 TOT A 9 2.600 5.118 3.495 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.876 4.454 -1.004 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.871 6.233 -0.997 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.749 5.351 -2.269 1.00 0.00 H new HETATM 0 H293 TOT A 9 8.088 -1.795 2.346 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.905 -2.877 1.194 1.00 0.00 H new HETATM 0 H291 TOT A 9 9.250 -1.131 1.173 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.438 -2.815 -1.068 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.187 -1.746 -1.745 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.717 -1.059 -1.150 1.00 0.00 H new HETATM 0 H272 TOT A 9 5.379 -0.587 2.027 1.00 0.00 H new HETATM 0 H271 TOT A 9 6.948 -0.072 2.613 1.00 0.00 H new HETATM 0 H262 TOT A 9 7.655 0.414 0.252 1.00 0.00 H new HETATM 0 H261 TOT A 9 6.093 -0.139 -0.320 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.992 -2.617 1.635 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.825 -3.702 0.539 1.00 0.00 H new HETATM 0 H232 TOT A 9 5.345 -3.164 -1.296 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.727 -1.733 -0.494 1.00 0.00 H new HETATM 0 H222 TOT A 9 3.951 -3.158 1.382 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.512 -4.573 0.514 1.00 0.00 H new HETATM 0 H8 TOT A 9 -1.947 -4.367 -1.402 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.136 -3.162 -1.727 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.108 -4.941 -1.771 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.580 -4.087 -1.249 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.418 4.412 -0.080 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.385 4.717 -1.463 1.00 0.00 H new HETATM 0 H46 TOT A 9 -3.008 5.857 1.883 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.825 6.463 4.299 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.603 7.140 5.220 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.450 6.583 3.939 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.784 -4.415 0.354 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.934 5.713 -0.005 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.746 5.687 -4.288 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.482 5.603 -6.758 1.00 0.00 H new HETATM 0 H32 TOT A 9 -3.274 4.993 -7.753 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.320 4.592 -6.254 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.049 -4.443 2.493 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.260 -3.536 2.023 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.847 -4.108 4.656 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.170 -3.791 1.849 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.876 -4.274 -2.939 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.610 -5.054 -4.778 1.00 0.00 H new HETATM 0 H14 TOT A 9 2.947 -5.732 -4.240 1.00 0.00 H new HETATM 0 H13 TOT A 9 4.013 -4.759 -2.205 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.403 -3.613 4.632 1.00 0.00 H new