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=0.000809 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= 0.00262 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 -9.849 -17.293 -3.914 1.00 0.00 O ATOM 2 C5' DC A 1 -9.591 -15.942 -3.592 1.00 0.00 C ATOM 3 C4' DC A 1 -9.211 -15.810 -2.112 1.00 0.00 C ATOM 4 O4' DC A 1 -7.993 -16.512 -1.918 1.00 0.00 O ATOM 5 C3' DC A 1 -8.974 -14.342 -1.728 1.00 0.00 C ATOM 6 O3' DC A 1 -9.764 -14.049 -0.593 1.00 0.00 O ATOM 7 C2' DC A 1 -7.478 -14.303 -1.436 1.00 0.00 C ATOM 8 C1' DC A 1 -7.139 -15.741 -1.094 1.00 0.00 C ATOM 9 N1 DC A 1 -5.721 -15.985 -1.468 1.00 0.00 N ATOM 10 C2 DC A 1 -4.733 -15.688 -0.527 1.00 0.00 C ATOM 11 O2 DC A 1 -5.025 -15.370 0.624 1.00 0.00 O ATOM 12 N3 DC A 1 -3.427 -15.754 -0.913 1.00 0.00 N ATOM 13 C4 DC A 1 -3.087 -16.069 -2.172 1.00 0.00 C ATOM 14 N4 DC A 1 -1.792 -16.076 -2.503 1.00 0.00 N ATOM 15 C5 DC A 1 -4.086 -16.321 -3.171 1.00 0.00 C ATOM 16 C6 DC A 1 -5.379 -16.259 -2.773 1.00 0.00 C ATOM 0 H5' DC A 1 -10.472 -15.336 -3.804 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.784 -15.560 -4.217 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.021 -16.207 -1.500 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.247 -13.607 -2.485 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.911 -13.953 -2.298 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.249 -13.630 -0.609 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.209 -17.869 -3.446 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.265 -15.980 -0.038 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.510 -16.312 -3.454 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.086 -15.845 -1.804 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.819 -16.549 -4.192 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.162 -16.429 -3.498 1.00 0.00 H new ATOM 29 P DG A 2 -9.851 -12.568 0.041 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.000 -12.538 0.973 1.00 0.00 O ATOM 31 OP2 DG A 2 -9.766 -11.575 -1.052 1.00 0.00 O ATOM 32 O5' DG A 2 -8.499 -12.477 0.912 1.00 0.00 O ATOM 33 C5' DG A 2 -8.142 -13.489 1.833 1.00 0.00 C ATOM 34 C4' DG A 2 -7.352 -12.908 3.016 1.00 0.00 C ATOM 35 O4' DG A 2 -6.019 -12.721 2.565 1.00 0.00 O ATOM 36 C3' DG A 2 -7.878 -11.550 3.489 1.00 0.00 C ATOM 37 O3' DG A 2 -7.640 -11.440 4.886 1.00 0.00 O ATOM 38 C2' DG A 2 -6.994 -10.609 2.681 1.00 0.00 C ATOM 39 C1' DG A 2 -5.658 -11.359 2.695 1.00 0.00 C ATOM 40 N9 DG A 2 -4.774 -11.085 1.530 1.00 0.00 N ATOM 41 C8 DG A 2 -5.099 -11.037 0.192 1.00 0.00 C ATOM 42 N7 DG A 2 -4.079 -10.880 -0.604 1.00 0.00 N ATOM 43 C5 DG A 2 -2.988 -10.826 0.254 1.00 0.00 C ATOM 44 C6 DG A 2 -1.599 -10.677 -0.042 1.00 0.00 C ATOM 45 O6 DG A 2 -1.062 -10.588 -1.143 1.00 0.00 O ATOM 46 N1 DG A 2 -0.812 -10.638 1.104 1.00 0.00 N ATOM 47 C2 DG A 2 -1.299 -10.772 2.390 1.00 0.00 C ATOM 48 N2 DG A 2 -0.411 -10.691 3.386 1.00 0.00 N ATOM 49 N3 DG A 2 -2.602 -10.955 2.666 1.00 0.00 N ATOM 50 C4 DG A 2 -3.399 -10.961 1.561 1.00 0.00 C ATOM 0 H5' DG A 2 -7.543 -14.248 1.330 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.041 -13.984 2.200 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.440 -13.598 3.855 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.943 -11.363 3.349 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.370 -10.460 1.669 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.916 -9.624 3.140 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.116 -11.065 3.594 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.114 -11.122 -0.167 1.00 0.00 H new ATOM 0 H1 DG A 2 0.192 -10.501 0.987 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.720 -10.783 4.354 1.00 0.00 H new ATOM 0 H22 DG A 2 0.576 -10.537 3.178 1.00 0.00 H new ATOM 62 P DC A 3 -7.943 -10.090 5.730 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.145 -10.474 7.145 1.00 0.00 O ATOM 64 OP2 DC A 3 -8.991 -9.318 5.025 1.00 0.00 O ATOM 65 O5' DC A 3 -6.553 -9.270 5.624 1.00 0.00 O ATOM 66 C5' DC A 3 -5.380 -9.748 6.255 1.00 0.00 C ATOM 67 C4' DC A 3 -4.156 -8.874 5.952 1.00 0.00 C ATOM 68 O4' DC A 3 -3.866 -9.079 4.589 1.00 0.00 O ATOM 69 C3' DC A 3 -4.321 -7.351 6.128 1.00 0.00 C ATOM 70 O3' DC A 3 -3.655 -6.899 7.294 1.00 0.00 O ATOM 71 C2' DC A 3 -3.685 -6.799 4.849 1.00 0.00 C ATOM 72 C1' DC A 3 -3.023 -8.020 4.226 1.00 0.00 C ATOM 73 N1 DC A 3 -2.997 -7.888 2.761 1.00 0.00 N ATOM 74 C2 DC A 3 -1.808 -7.556 2.115 1.00 0.00 C ATOM 75 O2 DC A 3 -0.747 -7.467 2.728 1.00 0.00 O ATOM 76 N3 DC A 3 -1.850 -7.331 0.772 1.00 0.00 N ATOM 77 C4 DC A 3 -3.007 -7.344 0.098 1.00 0.00 C ATOM 78 N4 DC A 3 -2.981 -7.240 -1.233 1.00 0.00 N ATOM 79 C5 DC A 3 -4.245 -7.533 0.793 1.00 0.00 C ATOM 80 C6 DC A 3 -4.181 -7.837 2.090 1.00 0.00 C ATOM 0 H5' DC A 3 -5.184 -10.769 5.927 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.539 -9.784 7.333 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.392 -9.172 6.670 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.354 -7.030 6.260 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.432 -6.364 4.185 1.00 0.00 H new ATOM 0 H2'' DC A 3 -2.959 -6.016 5.067 1.00 0.00 H new ATOM 0 H1' DC A 3 -1.994 -8.158 4.557 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.853 -7.248 -1.762 1.00 0.00 H new ATOM 0 H42 DC A 3 -2.089 -7.152 -1.720 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.194 -7.433 0.286 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.095 -8.049 2.624 1.00 0.00 H new ATOM 92 P DT A 4 -4.054 -5.515 8.039 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.446 -5.551 9.387 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.516 -5.319 7.910 1.00 0.00 O ATOM 95 O5' DT A 4 -3.325 -4.333 7.215 1.00 0.00 O ATOM 96 C5' DT A 4 -3.597 -2.977 7.530 1.00 0.00 C ATOM 97 C4' DT A 4 -2.605 -2.035 6.843 1.00 0.00 C ATOM 98 O4' DT A 4 -2.806 -2.119 5.451 1.00 0.00 O ATOM 99 C3' DT A 4 -2.867 -0.564 7.185 1.00 0.00 C ATOM 100 O3' DT A 4 -2.060 -0.162 8.279 1.00 0.00 O ATOM 101 C2' DT A 4 -2.532 0.164 5.879 1.00 0.00 C ATOM 102 C1' DT A 4 -2.232 -0.959 4.894 1.00 0.00 C ATOM 103 N1 DT A 4 -2.851 -0.761 3.559 1.00 0.00 N ATOM 104 C2 DT A 4 -2.015 -0.746 2.448 1.00 0.00 C ATOM 105 O2 DT A 4 -0.789 -0.766 2.526 1.00 0.00 O ATOM 106 N3 DT A 4 -2.643 -0.709 1.215 1.00 0.00 N ATOM 107 C4 DT A 4 -4.008 -0.694 0.985 1.00 0.00 C ATOM 108 O4 DT A 4 -4.435 -0.701 -0.168 1.00 0.00 O ATOM 109 C5 DT A 4 -4.812 -0.670 2.193 1.00 0.00 C ATOM 110 C7 DT A 4 -6.323 -0.619 2.086 1.00 0.00 C ATOM 111 C6 DT A 4 -4.220 -0.702 3.414 1.00 0.00 C ATOM 0 H5' DT A 4 -3.548 -2.836 8.610 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.612 -2.727 7.222 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.608 -2.330 7.171 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.886 -0.350 7.508 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.366 0.779 5.540 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.675 0.827 6.001 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.154 -1.009 4.743 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.039 -0.691 0.393 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.766 -1.120 2.947 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.651 0.420 2.063 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.640 -1.120 1.171 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.840 -0.681 4.298 1.00 0.00 H new ATOM 124 P DA A 5 -1.994 1.370 8.795 1.00 0.00 P ATOM 125 OP1 DA A 5 -1.550 1.359 10.206 1.00 0.00 O ATOM 126 OP2 DA A 5 -3.258 2.047 8.427 1.00 0.00 O ATOM 127 O5' DA A 5 -0.808 2.002 7.900 1.00 0.00 O ATOM 128 C5' DA A 5 0.501 1.470 7.944 1.00 0.00 C ATOM 129 C4' DA A 5 1.523 2.166 7.063 1.00 0.00 C ATOM 130 O4' DA A 5 1.092 2.054 5.717 1.00 0.00 O ATOM 131 C3' DA A 5 1.573 3.612 7.511 1.00 0.00 C ATOM 132 O3' DA A 5 2.907 4.061 7.367 1.00 0.00 O ATOM 133 C2' DA A 5 0.573 4.165 6.519 1.00 0.00 C ATOM 134 C1' DA A 5 0.718 3.326 5.247 1.00 0.00 C ATOM 135 N9 DA A 5 -0.553 3.117 4.498 1.00 0.00 N ATOM 136 C8 DA A 5 -1.862 3.269 4.896 1.00 0.00 C ATOM 137 N7 DA A 5 -2.747 3.069 3.959 1.00 0.00 N ATOM 138 C5 DA A 5 -1.979 2.721 2.860 1.00 0.00 C ATOM 139 C6 DA A 5 -2.293 2.419 1.519 1.00 0.00 C ATOM 140 N6 DA A 5 -3.532 2.464 1.015 1.00 0.00 N ATOM 141 N1 DA A 5 -1.290 2.070 0.698 1.00 0.00 N ATOM 142 C2 DA A 5 -0.048 2.030 1.169 1.00 0.00 C ATOM 143 N3 DA A 5 0.378 2.316 2.391 1.00 0.00 N ATOM 144 C4 DA A 5 -0.649 2.675 3.201 1.00 0.00 C ATOM 0 H5' DA A 5 0.456 0.419 7.657 1.00 0.00 H new ATOM 0 H5'' DA A 5 0.853 1.504 8.975 1.00 0.00 H new ATOM 0 H4' DA A 5 2.517 1.726 7.140 1.00 0.00 H new ATOM 0 H3' DA A 5 1.330 3.878 8.540 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.441 4.101 6.913 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.770 5.217 6.315 1.00 0.00 H new ATOM 0 H1' DA A 5 1.411 3.831 4.574 1.00 0.00 H new ATOM 0 H8 DA A 5 -2.135 3.534 5.907 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.692 2.233 0.034 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.316 2.729 1.611 1.00 0.00 H new ATOM 0 H2 DA A 5 0.712 1.725 0.465 1.00 0.00 H new ATOM 156 P DG A 6 3.545 5.225 8.299 1.00 0.00 P ATOM 157 OP1 DG A 6 4.407 4.590 9.320 1.00 0.00 O ATOM 158 OP2 DG A 6 2.465 6.150 8.709 1.00 0.00 O ATOM 159 O5' DG A 6 4.481 5.989 7.231 1.00 0.00 O ATOM 160 C5' DG A 6 3.947 6.223 5.952 1.00 0.00 C ATOM 161 C4' DG A 6 4.771 7.056 4.966 1.00 0.00 C ATOM 162 O4' DG A 6 3.824 7.424 3.981 1.00 0.00 O ATOM 163 C3' DG A 6 5.246 8.353 5.619 1.00 0.00 C ATOM 164 O3' DG A 6 6.216 9.097 4.899 1.00 0.00 O ATOM 165 C2' DG A 6 3.984 9.187 5.529 1.00 0.00 C ATOM 166 C1' DG A 6 3.580 8.809 4.102 1.00 0.00 C ATOM 167 N9 DG A 6 2.180 9.107 3.734 1.00 0.00 N ATOM 168 C8 DG A 6 1.132 9.575 4.489 1.00 0.00 C ATOM 169 N7 DG A 6 0.008 9.673 3.834 1.00 0.00 N ATOM 170 C5 DG A 6 0.327 9.233 2.554 1.00 0.00 C ATOM 171 C6 DG A 6 -0.507 9.011 1.418 1.00 0.00 C ATOM 172 O6 DG A 6 -1.720 9.182 1.320 1.00 0.00 O ATOM 173 N1 DG A 6 0.212 8.537 0.324 1.00 0.00 N ATOM 174 C2 DG A 6 1.560 8.237 0.335 1.00 0.00 C ATOM 175 N2 DG A 6 2.103 7.779 -0.796 1.00 0.00 N ATOM 176 N3 DG A 6 2.330 8.388 1.418 1.00 0.00 N ATOM 177 C4 DG A 6 1.658 8.898 2.484 1.00 0.00 C ATOM 0 H5' DG A 6 2.982 6.715 6.079 1.00 0.00 H new ATOM 0 H5'' DG A 6 3.753 5.255 5.490 1.00 0.00 H new ATOM 0 H4' DG A 6 5.640 6.508 4.602 1.00 0.00 H new ATOM 0 H3' DG A 6 5.694 8.133 6.588 1.00 0.00 H new ATOM 0 H2' DG A 6 3.236 8.908 6.271 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.170 10.254 5.650 1.00 0.00 H new ATOM 0 H1' DG A 6 4.166 9.420 3.416 1.00 0.00 H new ATOM 0 H8 DG A 6 1.230 9.838 5.532 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.295 8.401 -0.551 1.00 0.00 H new ATOM 0 H21 DG A 6 3.096 7.546 -0.827 1.00 0.00 H new ATOM 0 H22 DG A 6 1.525 7.662 -1.628 1.00 0.00 H new ATOM 189 P DC A 7 7.698 8.593 4.515 1.00 0.00 P ATOM 190 OP1 DC A 7 7.808 7.127 4.678 1.00 0.00 O ATOM 191 OP2 DC A 7 8.675 9.486 5.175 1.00 0.00 O ATOM 192 O5' DC A 7 7.662 8.950 2.941 1.00 0.00 O ATOM 193 C5' DC A 7 7.141 8.055 1.975 1.00 0.00 C ATOM 194 C4' DC A 7 6.558 8.802 0.765 1.00 0.00 C ATOM 195 O4' DC A 7 5.255 9.259 1.118 1.00 0.00 O ATOM 196 C3' DC A 7 7.369 10.041 0.332 1.00 0.00 C ATOM 197 O3' DC A 7 7.491 10.023 -1.087 1.00 0.00 O ATOM 198 C2' DC A 7 6.441 11.155 0.831 1.00 0.00 C ATOM 199 C1' DC A 7 5.094 10.521 0.511 1.00 0.00 C ATOM 200 N1 DC A 7 3.866 11.242 0.981 1.00 0.00 N ATOM 201 C2 DC A 7 2.739 11.226 0.145 1.00 0.00 C ATOM 202 O2 DC A 7 2.785 10.789 -1.003 1.00 0.00 O ATOM 203 N3 DC A 7 1.560 11.711 0.622 1.00 0.00 N ATOM 204 C4 DC A 7 1.475 12.268 1.835 1.00 0.00 C ATOM 205 N4 DC A 7 0.283 12.706 2.250 1.00 0.00 N ATOM 206 C5 DC A 7 2.641 12.420 2.660 1.00 0.00 C ATOM 207 C6 DC A 7 3.802 11.899 2.193 1.00 0.00 C ATOM 0 H5' DC A 7 6.366 7.439 2.430 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.929 7.380 1.641 1.00 0.00 H new ATOM 0 H4' DC A 7 6.568 8.098 -0.067 1.00 0.00 H new ATOM 0 H3' DC A 7 8.387 10.128 0.712 1.00 0.00 H new ATOM 0 H2' DC A 7 6.566 11.359 1.894 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.596 12.097 0.305 1.00 0.00 H new ATOM 0 H1' DC A 7 4.892 10.519 -0.560 1.00 0.00 H new ATOM 0 H41 DC A 7 0.190 13.135 3.171 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.534 12.611 1.646 1.00 0.00 H new ATOM 0 H5 DC A 7 2.595 12.928 3.612 1.00 0.00 H new ATOM 0 H6 DC A 7 4.700 12.001 2.784 1.00 0.00 H new ATOM 219 P DG A 8 8.369 11.105 -1.920 1.00 0.00 P ATOM 220 OP1 DG A 8 9.512 10.390 -2.528 1.00 0.00 O ATOM 221 OP2 DG A 8 8.617 12.285 -1.062 1.00 0.00 O ATOM 222 O5' DG A 8 7.366 11.553 -3.112 1.00 0.00 O ATOM 223 C5' DG A 8 6.010 11.852 -2.845 1.00 0.00 C ATOM 224 C4' DG A 8 5.502 13.112 -3.503 1.00 0.00 C ATOM 225 O4' DG A 8 4.202 13.144 -2.972 1.00 0.00 O ATOM 226 C3' DG A 8 6.136 14.414 -3.031 1.00 0.00 C ATOM 227 O3' DG A 8 7.166 14.842 -3.897 1.00 0.00 O ATOM 228 C2' DG A 8 4.936 15.363 -3.090 1.00 0.00 C ATOM 229 C1' DG A 8 3.719 14.430 -3.177 1.00 0.00 C ATOM 230 N9 DG A 8 2.764 14.648 -2.071 1.00 0.00 N ATOM 231 C8 DG A 8 3.022 14.583 -0.726 1.00 0.00 C ATOM 232 N7 DG A 8 1.977 14.769 0.028 1.00 0.00 N ATOM 233 C5 DG A 8 0.943 14.956 -0.881 1.00 0.00 C ATOM 234 C6 DG A 8 -0.447 15.176 -0.650 1.00 0.00 C ATOM 235 O6 DG A 8 -1.038 15.207 0.426 1.00 0.00 O ATOM 236 N1 DG A 8 -1.157 15.371 -1.831 1.00 0.00 N ATOM 237 C2 DG A 8 -0.604 15.313 -3.097 1.00 0.00 C ATOM 238 N2 DG A 8 -1.430 15.497 -4.131 1.00 0.00 N ATOM 239 N3 DG A 8 0.701 15.076 -3.318 1.00 0.00 N ATOM 240 C4 DG A 8 1.418 14.911 -2.172 1.00 0.00 C ATOM 0 H5' DG A 8 5.877 11.942 -1.767 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.396 11.014 -3.173 1.00 0.00 H new ATOM 0 H4' DG A 8 5.667 13.071 -4.580 1.00 0.00 H new ATOM 0 H3' DG A 8 6.614 14.345 -2.054 1.00 0.00 H new ATOM 0 H2' DG A 8 4.888 15.999 -2.206 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.993 16.024 -3.955 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.547 15.680 -3.562 1.00 0.00 H new ATOM 0 H1' DG A 8 3.224 14.601 -4.133 1.00 0.00 H new ATOM 0 H8 DG A 8 4.007 14.394 -0.326 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.155 15.571 -1.758 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.069 15.463 -5.084 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.422 15.671 -3.967 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -10.340 19.023 -1.965 1.00 0.00 O ATOM 255 C5' DC B 1 -10.046 17.651 -2.117 1.00 0.00 C ATOM 256 C4' DC B 1 -8.951 17.457 -3.172 1.00 0.00 C ATOM 257 O4' DC B 1 -7.774 18.080 -2.685 1.00 0.00 O ATOM 258 C3' DC B 1 -8.643 15.968 -3.385 1.00 0.00 C ATOM 259 O3' DC B 1 -8.735 15.689 -4.768 1.00 0.00 O ATOM 260 C2' DC B 1 -7.222 15.835 -2.847 1.00 0.00 C ATOM 261 C1' DC B 1 -6.663 17.242 -2.943 1.00 0.00 C ATOM 262 N1 DC B 1 -5.642 17.414 -1.876 1.00 0.00 N ATOM 263 C2 DC B 1 -4.325 17.046 -2.160 1.00 0.00 C ATOM 264 O2 DC B 1 -3.987 16.712 -3.294 1.00 0.00 O ATOM 265 N3 DC B 1 -3.413 17.063 -1.146 1.00 0.00 N ATOM 266 C4 DC B 1 -3.767 17.395 0.105 1.00 0.00 C ATOM 267 N4 DC B 1 -2.838 17.362 1.065 1.00 0.00 N ATOM 268 C5 DC B 1 -5.127 17.716 0.433 1.00 0.00 C ATOM 269 C6 DC B 1 -6.021 17.703 -0.584 1.00 0.00 C ATOM 0 H5' DC B 1 -10.945 17.110 -2.412 1.00 0.00 H new ATOM 0 H5'' DC B 1 -9.721 17.234 -1.164 1.00 0.00 H new ATOM 0 H4' DC B 1 -9.286 17.884 -4.117 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.320 15.271 -2.890 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.216 15.472 -1.819 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.636 15.131 -3.437 1.00 0.00 H new ATOM 0 HO5' DC B 1 -9.548 19.554 -2.191 1.00 0.00 H new ATOM 0 H1' DC B 1 -6.197 17.461 -3.904 1.00 0.00 H new ATOM 0 H41 DC B 1 -3.085 17.611 2.023 1.00 0.00 H new ATOM 0 H42 DC B 1 -1.882 17.088 0.840 1.00 0.00 H new ATOM 0 H5 DC B 1 -5.423 17.957 1.443 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.057 17.925 -0.377 1.00 0.00 H new ATOM 282 P DG B 2 -8.569 14.198 -5.361 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.061 14.205 -6.756 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.128 13.231 -4.390 1.00 0.00 O ATOM 285 O5' DG B 2 -6.970 14.009 -5.397 1.00 0.00 O ATOM 286 C5' DG B 2 -6.123 14.979 -5.983 1.00 0.00 C ATOM 287 C4' DG B 2 -4.859 14.334 -6.570 1.00 0.00 C ATOM 288 O4' DG B 2 -3.980 14.093 -5.483 1.00 0.00 O ATOM 289 C3' DG B 2 -5.120 12.992 -7.260 1.00 0.00 C ATOM 290 O3' DG B 2 -4.170 12.841 -8.307 1.00 0.00 O ATOM 291 C2' DG B 2 -4.864 12.028 -6.108 1.00 0.00 C ATOM 292 C1' DG B 2 -3.688 12.711 -5.403 1.00 0.00 C ATOM 293 N9 DG B 2 -3.572 12.430 -3.947 1.00 0.00 N ATOM 294 C8 DG B 2 -4.558 12.424 -2.984 1.00 0.00 C ATOM 295 N7 DG B 2 -4.119 12.259 -1.768 1.00 0.00 N ATOM 296 C5 DG B 2 -2.743 12.152 -1.918 1.00 0.00 C ATOM 297 C6 DG B 2 -1.724 11.976 -0.931 1.00 0.00 C ATOM 298 O6 DG B 2 -1.849 11.921 0.289 1.00 0.00 O ATOM 299 N1 DG B 2 -0.457 11.862 -1.492 1.00 0.00 N ATOM 300 C2 DG B 2 -0.187 11.973 -2.842 1.00 0.00 C ATOM 301 N2 DG B 2 1.086 11.821 -3.222 1.00 0.00 N ATOM 302 N3 DG B 2 -1.137 12.200 -3.763 1.00 0.00 N ATOM 303 C4 DG B 2 -2.396 12.263 -3.245 1.00 0.00 C ATOM 0 H5' DG B 2 -5.842 15.719 -5.234 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.662 15.509 -6.768 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.455 15.010 -7.324 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.100 12.858 -7.718 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.732 11.926 -5.456 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.609 11.028 -6.458 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.771 12.361 -5.876 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.605 12.546 -3.217 1.00 0.00 H new ATOM 0 H1 DG B 2 0.327 11.684 -0.864 1.00 0.00 H new ATOM 0 H21 DG B 2 1.336 11.894 -4.208 1.00 0.00 H new ATOM 0 H22 DG B 2 1.807 11.632 -2.526 1.00 0.00 H new ATOM 315 P DC B 3 -4.025 11.487 -9.185 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.412 11.849 -10.482 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.319 10.769 -9.162 1.00 0.00 O ATOM 318 O5' DC B 3 -2.949 10.617 -8.346 1.00 0.00 O ATOM 319 C5' DC B 3 -1.599 11.032 -8.245 1.00 0.00 C ATOM 320 C4' DC B 3 -0.779 10.127 -7.316 1.00 0.00 C ATOM 321 O4' DC B 3 -1.291 10.348 -6.024 1.00 0.00 O ATOM 322 C3' DC B 3 -0.881 8.607 -7.551 1.00 0.00 C ATOM 323 O3' DC B 3 0.284 8.092 -8.169 1.00 0.00 O ATOM 324 C2' DC B 3 -1.080 8.057 -6.135 1.00 0.00 C ATOM 325 C1' DC B 3 -0.828 9.272 -5.255 1.00 0.00 C ATOM 326 N1 DC B 3 -1.613 9.159 -4.016 1.00 0.00 N ATOM 327 C2 DC B 3 -0.982 8.779 -2.835 1.00 0.00 C ATOM 328 O2 DC B 3 0.237 8.652 -2.772 1.00 0.00 O ATOM 329 N3 DC B 3 -1.758 8.549 -1.739 1.00 0.00 N ATOM 330 C4 DC B 3 -3.094 8.599 -1.807 1.00 0.00 C ATOM 331 N4 DC B 3 -3.793 8.488 -0.674 1.00 0.00 N ATOM 332 C5 DC B 3 -3.745 8.843 -3.061 1.00 0.00 C ATOM 333 C6 DC B 3 -2.971 9.153 -4.104 1.00 0.00 C ATOM 0 H5' DC B 3 -1.563 12.057 -7.875 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.147 11.035 -9.237 1.00 0.00 H new ATOM 0 H4' DC B 3 0.265 10.386 -7.490 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.686 8.328 -8.230 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.085 7.659 -5.995 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.383 7.248 -5.915 1.00 0.00 H new ATOM 0 H1' DC B 3 0.217 9.381 -4.966 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.812 8.523 -0.698 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.308 8.368 0.215 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.819 8.779 -3.158 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.436 9.406 -5.045 1.00 0.00 H new ATOM 345 P DT B 4 0.332 6.602 -8.804 1.00 0.00 P ATOM 346 OP1 DT B 4 1.264 6.642 -9.952 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.055 6.126 -9.010 1.00 0.00 O ATOM 348 O5' DT B 4 0.998 5.671 -7.667 1.00 0.00 O ATOM 349 C5' DT B 4 1.356 4.333 -7.967 1.00 0.00 C ATOM 350 C4' DT B 4 1.985 3.638 -6.756 1.00 0.00 C ATOM 351 O4' DT B 4 0.996 3.497 -5.761 1.00 0.00 O ATOM 352 C3' DT B 4 2.448 2.217 -7.108 1.00 0.00 C ATOM 353 O3' DT B 4 3.866 2.193 -7.084 1.00 0.00 O ATOM 354 C2' DT B 4 1.807 1.340 -6.024 1.00 0.00 C ATOM 355 C1' DT B 4 1.348 2.368 -4.991 1.00 0.00 C ATOM 356 N1 DT B 4 0.131 1.995 -4.217 1.00 0.00 N ATOM 357 C2 DT B 4 0.205 2.036 -2.826 1.00 0.00 C ATOM 358 O2 DT B 4 1.262 2.118 -2.205 1.00 0.00 O ATOM 359 N3 DT B 4 -1.002 1.980 -2.149 1.00 0.00 N ATOM 360 C4 DT B 4 -2.263 1.866 -2.711 1.00 0.00 C ATOM 361 O4 DT B 4 -3.259 1.869 -1.990 1.00 0.00 O ATOM 362 C5 DT B 4 -2.252 1.752 -4.157 1.00 0.00 C ATOM 363 C7 DT B 4 -3.564 1.587 -4.900 1.00 0.00 C ATOM 364 C6 DT B 4 -1.084 1.821 -4.847 1.00 0.00 C ATOM 0 H5' DT B 4 2.058 4.321 -8.801 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.472 3.781 -8.287 1.00 0.00 H new ATOM 0 H4' DT B 4 2.834 4.237 -6.427 1.00 0.00 H new ATOM 0 H3' DT B 4 2.156 1.867 -8.098 1.00 0.00 H new ATOM 0 H2' DT B 4 0.972 0.758 -6.415 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.520 0.632 -5.602 1.00 0.00 H new ATOM 0 H1' DT B 4 2.146 2.496 -4.260 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.958 2.028 -1.131 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.479 2.032 -5.891 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.796 0.526 -4.997 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.361 2.084 -4.346 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.107 1.737 -5.923 1.00 0.00 H new ATOM 377 P DA B 5 4.730 0.961 -7.675 1.00 0.00 P ATOM 378 OP1 DA B 5 6.081 1.471 -8.001 1.00 0.00 O ATOM 379 OP2 DA B 5 3.932 0.285 -8.721 1.00 0.00 O ATOM 380 O5' DA B 5 4.866 -0.047 -6.426 1.00 0.00 O ATOM 381 C5' DA B 5 5.659 0.270 -5.296 1.00 0.00 C ATOM 382 C4' DA B 5 5.676 -0.746 -4.152 1.00 0.00 C ATOM 383 O4' DA B 5 4.463 -0.576 -3.396 1.00 0.00 O ATOM 384 C3' DA B 5 5.754 -2.135 -4.785 1.00 0.00 C ATOM 385 O3' DA B 5 6.492 -3.078 -4.043 1.00 0.00 O ATOM 386 C2' DA B 5 4.268 -2.407 -4.683 1.00 0.00 C ATOM 387 C1' DA B 5 3.696 -1.769 -3.447 1.00 0.00 C ATOM 388 N9 DA B 5 2.228 -1.498 -3.503 1.00 0.00 N ATOM 389 C8 DA B 5 1.297 -1.713 -4.507 1.00 0.00 C ATOM 390 N7 DA B 5 0.057 -1.561 -4.140 1.00 0.00 N ATOM 391 C5 DA B 5 0.156 -1.259 -2.794 1.00 0.00 C ATOM 392 C6 DA B 5 -0.813 -1.088 -1.790 1.00 0.00 C ATOM 393 N6 DA B 5 -2.126 -1.178 -2.034 1.00 0.00 N ATOM 394 N1 DA B 5 -0.388 -0.852 -0.536 1.00 0.00 N ATOM 395 C2 DA B 5 0.919 -0.798 -0.290 1.00 0.00 C ATOM 396 N3 DA B 5 1.926 -0.954 -1.142 1.00 0.00 N ATOM 397 C4 DA B 5 1.469 -1.192 -2.401 1.00 0.00 C ATOM 0 H5' DA B 5 5.314 1.224 -4.897 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.685 0.418 -5.633 1.00 0.00 H new ATOM 0 H4' DA B 5 6.524 -0.612 -3.480 1.00 0.00 H new ATOM 0 H3' DA B 5 6.244 -2.193 -5.757 1.00 0.00 H new ATOM 0 H2' DA B 5 3.761 -2.020 -5.567 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.091 -3.482 -4.659 1.00 0.00 H new ATOM 0 H1' DA B 5 3.762 -2.408 -2.567 1.00 0.00 H new ATOM 0 H8 DA B 5 1.578 -1.985 -5.514 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.796 -1.047 -1.276 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.457 -1.378 -2.978 1.00 0.00 H new ATOM 0 H2 DA B 5 1.197 -0.602 0.735 1.00 0.00 H new ATOM 409 P DG B 6 8.052 -3.449 -4.359 1.00 0.00 P ATOM 410 OP1 DG B 6 8.888 -2.298 -3.954 1.00 0.00 O ATOM 411 OP2 DG B 6 8.137 -3.982 -5.736 1.00 0.00 O ATOM 412 O5' DG B 6 8.317 -4.674 -3.318 1.00 0.00 O ATOM 413 C5' DG B 6 7.222 -5.094 -2.538 1.00 0.00 C ATOM 414 C4' DG B 6 7.329 -6.069 -1.375 1.00 0.00 C ATOM 415 O4' DG B 6 5.982 -6.372 -1.079 1.00 0.00 O ATOM 416 C3' DG B 6 8.008 -7.347 -1.840 1.00 0.00 C ATOM 417 O3' DG B 6 8.497 -8.235 -0.846 1.00 0.00 O ATOM 418 C2' DG B 6 6.826 -8.074 -2.454 1.00 0.00 C ATOM 419 C1' DG B 6 5.770 -7.725 -1.401 1.00 0.00 C ATOM 420 N9 DG B 6 4.364 -7.881 -1.826 1.00 0.00 N ATOM 421 C8 DG B 6 3.839 -8.227 -3.045 1.00 0.00 C ATOM 422 N7 DG B 6 2.539 -8.282 -3.074 1.00 0.00 N ATOM 423 C5 DG B 6 2.166 -7.916 -1.788 1.00 0.00 C ATOM 424 C6 DG B 6 0.871 -7.707 -1.235 1.00 0.00 C ATOM 425 O6 DG B 6 -0.216 -7.824 -1.794 1.00 0.00 O ATOM 426 N1 DG B 6 0.926 -7.323 0.102 1.00 0.00 N ATOM 427 C2 DG B 6 2.090 -7.101 0.810 1.00 0.00 C ATOM 428 N2 DG B 6 1.973 -6.744 2.093 1.00 0.00 N ATOM 429 N3 DG B 6 3.309 -7.247 0.275 1.00 0.00 N ATOM 430 C4 DG B 6 3.277 -7.661 -1.020 1.00 0.00 C ATOM 0 H5' DG B 6 6.502 -5.527 -3.233 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.770 -4.188 -2.135 1.00 0.00 H new ATOM 0 H4' DG B 6 7.893 -5.664 -0.535 1.00 0.00 H new ATOM 0 H3' DG B 6 8.882 -7.085 -2.436 1.00 0.00 H new ATOM 0 H2' DG B 6 6.571 -7.704 -3.447 1.00 0.00 H new ATOM 0 H2'' DG B 6 6.992 -9.147 -2.547 1.00 0.00 H new ATOM 0 H1' DG B 6 5.894 -8.422 -0.573 1.00 0.00 H new ATOM 0 H8 DG B 6 4.453 -8.436 -3.908 1.00 0.00 H new ATOM 0 H1 DG B 6 0.042 -7.196 0.594 1.00 0.00 H new ATOM 0 H21 DG B 6 2.808 -6.570 2.652 1.00 0.00 H new ATOM 0 H22 DG B 6 1.049 -6.645 2.513 1.00 0.00 H new ATOM 442 P DC B 7 9.502 -7.857 0.359 1.00 0.00 P ATOM 443 OP1 DC B 7 9.745 -6.397 0.396 1.00 0.00 O ATOM 444 OP2 DC B 7 10.646 -8.793 0.312 1.00 0.00 O ATOM 445 O5' DC B 7 8.558 -8.275 1.602 1.00 0.00 O ATOM 446 C5' DC B 7 7.692 -7.356 2.242 1.00 0.00 C ATOM 447 C4' DC B 7 6.521 -8.073 2.932 1.00 0.00 C ATOM 448 O4' DC B 7 5.569 -8.420 1.930 1.00 0.00 O ATOM 449 C3' DC B 7 6.909 -9.380 3.655 1.00 0.00 C ATOM 450 O3' DC B 7 6.276 -9.381 4.932 1.00 0.00 O ATOM 451 C2' DC B 7 6.305 -10.413 2.695 1.00 0.00 C ATOM 452 C1' DC B 7 5.035 -9.671 2.296 1.00 0.00 C ATOM 453 N1 DC B 7 4.195 -10.281 1.214 1.00 0.00 N ATOM 454 C2 DC B 7 2.800 -10.202 1.348 1.00 0.00 C ATOM 455 O2 DC B 7 2.264 -9.803 2.380 1.00 0.00 O ATOM 456 N3 DC B 7 2.016 -10.581 0.301 1.00 0.00 N ATOM 457 C4 DC B 7 2.547 -11.096 -0.814 1.00 0.00 C ATOM 458 N4 DC B 7 1.724 -11.431 -1.812 1.00 0.00 N ATOM 459 C5 DC B 7 3.962 -11.312 -0.927 1.00 0.00 C ATOM 460 C6 DC B 7 4.738 -10.895 0.103 1.00 0.00 C ATOM 0 H5' DC B 7 7.305 -6.648 1.509 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.252 -6.779 2.978 1.00 0.00 H new ATOM 0 H4' DC B 7 6.140 -7.385 3.686 1.00 0.00 H new ATOM 0 H3' DC B 7 7.969 -9.548 3.848 1.00 0.00 H new ATOM 0 H2' DC B 7 6.953 -10.623 1.844 1.00 0.00 H new ATOM 0 H2'' DC B 7 6.098 -11.366 3.181 1.00 0.00 H new ATOM 0 H1' DC B 7 4.303 -9.665 3.104 1.00 0.00 H new ATOM 0 H41 DC B 7 2.101 -11.826 -2.674 1.00 0.00 H new ATOM 0 H42 DC B 7 0.718 -11.292 -1.712 1.00 0.00 H new ATOM 0 H5 DC B 7 4.390 -11.787 -1.797 1.00 0.00 H new ATOM 0 H6 DC B 7 5.806 -11.047 0.054 1.00 0.00 H new ATOM 472 P DG B 8 6.515 -10.537 6.045 1.00 0.00 P ATOM 473 OP1 DG B 8 7.220 -9.923 7.192 1.00 0.00 O ATOM 474 OP2 DG B 8 7.092 -11.729 5.386 1.00 0.00 O ATOM 475 O5' DG B 8 5.009 -10.904 6.520 1.00 0.00 O ATOM 476 C5' DG B 8 3.977 -11.094 5.572 1.00 0.00 C ATOM 477 C4' DG B 8 3.129 -12.321 5.807 1.00 0.00 C ATOM 478 O4' DG B 8 2.292 -12.247 4.682 1.00 0.00 O ATOM 479 C3' DG B 8 3.841 -13.660 5.662 1.00 0.00 C ATOM 480 O3' DG B 8 4.254 -14.174 6.910 1.00 0.00 O ATOM 481 C2' DG B 8 2.729 -14.516 5.050 1.00 0.00 C ATOM 482 C1' DG B 8 1.698 -13.496 4.548 1.00 0.00 C ATOM 483 N9 DG B 8 1.435 -13.629 3.100 1.00 0.00 N ATOM 484 C8 DG B 8 2.349 -13.567 2.080 1.00 0.00 C ATOM 485 N7 DG B 8 1.832 -13.674 0.891 1.00 0.00 N ATOM 486 C5 DG B 8 0.470 -13.808 1.135 1.00 0.00 C ATOM 487 C6 DG B 8 -0.613 -13.947 0.217 1.00 0.00 C ATOM 488 O6 DG B 8 -0.569 -13.937 -1.010 1.00 0.00 O ATOM 489 N1 DG B 8 -1.836 -14.111 0.861 1.00 0.00 N ATOM 490 C2 DG B 8 -2.007 -14.098 2.233 1.00 0.00 C ATOM 491 N2 DG B 8 -3.254 -14.247 2.693 1.00 0.00 N ATOM 492 N3 DG B 8 -0.992 -13.941 3.100 1.00 0.00 N ATOM 493 C4 DG B 8 0.217 -13.806 2.488 1.00 0.00 C ATOM 0 H5' DG B 8 4.421 -11.159 4.579 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.332 -10.216 5.575 1.00 0.00 H new ATOM 0 H4' DG B 8 2.714 -12.308 6.815 1.00 0.00 H new ATOM 0 H3' DG B 8 4.757 -13.615 5.073 1.00 0.00 H new ATOM 0 H2' DG B 8 3.106 -15.135 4.235 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.295 -15.191 5.788 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.705 -15.034 6.777 1.00 0.00 H new ATOM 0 H1' DG B 8 0.773 -13.641 5.106 1.00 0.00 H new ATOM 0 H8 DG B 8 3.408 -13.440 2.249 1.00 0.00 H new ATOM 0 H1 DG B 8 -2.663 -14.250 0.281 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.431 -14.244 3.698 1.00 0.00 H new ATOM 0 H22 DG B 8 -4.028 -14.363 2.039 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.965 -3.871 3.524 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.347 -4.095 3.531 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.013 -4.300 2.317 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.287 -4.315 1.114 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.039 -4.151 -0.007 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.509 -4.155 -1.414 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.744 -4.131 0.416 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.628 -4.245 -0.541 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.556 -3.980 2.049 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.227 -3.982 2.324 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.878 -4.166 1.100 1.00 0.00 C HETATM 518 C12 TOT A 9 2.085 -4.331 -1.392 1.00 0.00 C HETATM 519 C13 TOT A 9 2.916 -4.783 -2.449 1.00 0.00 C HETATM 520 C14 TOT A 9 2.344 -5.230 -3.640 1.00 0.00 C HETATM 521 C15 TOT A 9 1.005 -4.969 -3.912 1.00 0.00 C HETATM 522 C16 TOT A 9 0.162 -4.527 -2.884 1.00 0.00 C HETATM 523 C17 TOT A 9 0.663 -4.339 -1.569 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.205 -4.161 -0.439 1.00 0.00 C HETATM 525 C19 TOT A 9 0.406 -3.898 0.800 1.00 0.00 C HETATM 526 C20 TOT A 9 1.783 -3.754 0.902 1.00 0.00 C HETATM 527 N21 TOT A 9 2.617 -3.897 -0.171 1.00 0.00 N HETATM 528 C22 TOT A 9 4.009 -3.583 0.250 1.00 0.00 C HETATM 529 C23 TOT A 9 5.065 -2.736 -0.463 1.00 0.00 C HETATM 530 C24 TOT A 9 6.300 -2.709 0.479 1.00 0.00 C HETATM 531 N25 TOT A 9 7.339 -1.662 0.231 1.00 0.00 N HETATM 532 C26 TOT A 9 6.819 -0.264 0.359 1.00 0.00 C HETATM 533 C27 TOT A 9 6.313 0.123 1.762 1.00 0.00 C HETATM 534 C28 TOT A 9 7.919 -1.808 -1.122 1.00 0.00 C HETATM 535 C29 TOT A 9 8.449 -1.887 1.195 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.235 4.876 -5.844 1.00 0.00 C HETATM 537 C32 TOT A 9 -3.334 5.078 -6.690 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.581 5.392 -6.134 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.727 5.466 -4.740 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.621 5.302 -2.489 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.846 5.295 -1.652 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.336 5.295 -2.044 1.00 0.00 C HETATM 543 C38 TOT A 9 -2.035 5.419 -0.609 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.193 5.144 -3.226 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.362 5.076 -4.451 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.616 5.310 -3.876 1.00 0.00 C HETATM 547 C42 TOT A 9 0.400 5.664 2.262 1.00 0.00 C HETATM 548 C43 TOT A 9 0.479 6.258 3.531 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.667 6.531 4.268 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.913 6.265 3.701 1.00 0.00 C HETATM 551 C46 TOT A 9 -2.010 5.898 2.341 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.840 5.628 1.575 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.849 5.321 0.175 1.00 0.00 C HETATM 554 C49 TOT A 9 0.372 4.908 -0.408 1.00 0.00 C HETATM 555 C50 TOT A 9 1.539 4.787 0.359 1.00 0.00 C HETATM 556 N51 TOT A 9 1.542 5.126 1.686 1.00 0.00 N HETATM 557 C52 TOT A 9 2.812 4.895 2.416 1.00 0.00 C HETATM 558 C53 TOT A 9 3.417 3.486 2.283 1.00 0.00 C HETATM 559 C54 TOT A 9 4.801 3.469 2.950 1.00 0.00 C HETATM 560 N55 TOT A 9 5.430 2.122 3.096 1.00 0.00 N HETATM 561 C56 TOT A 9 5.774 1.566 1.751 1.00 0.00 C HETATM 562 C58 TOT A 9 4.530 1.202 3.840 1.00 0.00 C HETATM 563 C59 TOT A 9 6.661 2.327 3.907 1.00 0.00 C HETATM 0 H593 TOT A 9 7.327 3.017 3.389 1.00 0.00 H new HETATM 0 H592 TOT A 9 6.392 2.742 4.878 1.00 0.00 H new HETATM 0 H591 TOT A 9 7.167 1.372 4.048 1.00 0.00 H new HETATM 0 H583 TOT A 9 4.333 1.609 4.832 1.00 0.00 H new HETATM 0 H582 TOT A 9 3.590 1.096 3.298 1.00 0.00 H new HETATM 0 H581 TOT A 9 5.006 0.226 3.936 1.00 0.00 H new HETATM 0 H562 TOT A 9 6.519 2.213 1.287 1.00 0.00 H new HETATM 0 H561 TOT A 9 4.885 1.601 1.122 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.472 4.103 2.370 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.714 3.919 3.939 1.00 0.00 H new HETATM 0 H532 TOT A 9 2.764 2.750 2.753 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.503 3.211 1.232 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.547 5.620 2.065 1.00 0.00 H new HETATM 0 H521 TOT A 9 2.643 5.098 3.473 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.858 4.398 -1.032 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.855 6.178 -1.013 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.726 5.303 -2.295 1.00 0.00 H new HETATM 0 H293 TOT A 9 8.068 -1.808 2.213 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.869 -2.881 1.041 1.00 0.00 H new HETATM 0 H291 TOT A 9 9.224 -1.137 1.039 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.381 -2.791 -1.216 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.131 -1.705 -1.869 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.672 -1.036 -1.280 1.00 0.00 H new HETATM 0 H272 TOT A 9 5.528 -0.564 2.076 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.123 0.034 2.486 1.00 0.00 H new HETATM 0 H262 TOT A 9 7.610 0.428 0.072 1.00 0.00 H new HETATM 0 H261 TOT A 9 6.005 -0.130 -0.353 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.940 -2.589 1.501 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.785 -3.683 0.424 1.00 0.00 H new HETATM 0 H232 TOT A 9 5.322 -3.166 -1.431 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.695 -1.728 -0.650 1.00 0.00 H new HETATM 0 H222 TOT A 9 3.906 -3.129 1.235 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.482 -4.554 0.395 1.00 0.00 H new HETATM 0 H8 TOT A 9 -1.966 -4.437 -1.559 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.152 -3.258 -1.920 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.123 -5.037 -1.924 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.599 -4.173 -1.434 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.454 4.419 -0.106 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.406 4.680 -1.473 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.991 5.820 1.872 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.814 6.341 4.309 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.593 6.946 5.273 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.455 6.509 3.945 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.819 -4.444 0.171 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.920 5.635 -0.010 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.714 5.647 -4.315 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.437 5.579 -6.783 1.00 0.00 H new HETATM 0 H32 TOT A 9 -3.220 4.992 -7.771 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.278 4.563 -6.262 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.093 -4.448 2.305 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.215 -3.518 1.874 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.898 -4.110 4.471 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.211 -3.806 1.694 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.888 -4.326 -3.096 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.614 -5.108 -4.920 1.00 0.00 H new HETATM 0 H14 TOT A 9 2.947 -5.785 -4.359 1.00 0.00 H new HETATM 0 H13 TOT A 9 4.000 -4.781 -2.331 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.455 -3.609 4.451 1.00 0.00 H new