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 -37:sc= 0.00313 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 -34:sc= 0.00435 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 -10.623 -16.308 -4.398 1.00 0.00 O ATOM 2 C5' DC A 1 -10.290 -15.007 -3.961 1.00 0.00 C ATOM 3 C4' DC A 1 -9.876 -15.034 -2.485 1.00 0.00 C ATOM 4 O4' DC A 1 -8.694 -15.813 -2.383 1.00 0.00 O ATOM 5 C3' DC A 1 -9.557 -13.625 -1.965 1.00 0.00 C ATOM 6 O3' DC A 1 -10.302 -13.420 -0.781 1.00 0.00 O ATOM 7 C2' DC A 1 -8.053 -13.684 -1.719 1.00 0.00 C ATOM 8 C1' DC A 1 -7.777 -15.162 -1.524 1.00 0.00 C ATOM 9 N1 DC A 1 -6.386 -15.437 -1.972 1.00 0.00 N ATOM 10 C2 DC A 1 -5.354 -15.275 -1.046 1.00 0.00 C ATOM 11 O2 DC A 1 -5.592 -15.049 0.139 1.00 0.00 O ATOM 12 N3 DC A 1 -4.067 -15.371 -1.485 1.00 0.00 N ATOM 13 C4 DC A 1 -3.785 -15.586 -2.779 1.00 0.00 C ATOM 14 N4 DC A 1 -2.504 -15.628 -3.157 1.00 0.00 N ATOM 15 C5 DC A 1 -4.828 -15.693 -3.759 1.00 0.00 C ATOM 16 C6 DC A 1 -6.102 -15.603 -3.309 1.00 0.00 C ATOM 0 H5' DC A 1 -11.143 -14.341 -4.095 1.00 0.00 H new ATOM 0 H5'' DC A 1 -9.476 -14.609 -4.567 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.696 -15.445 -1.897 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.812 -12.803 -2.634 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.493 -13.280 -2.563 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.768 -13.104 -0.841 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.026 -16.959 -3.974 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.882 -15.491 -0.490 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.266 -15.790 -4.136 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.764 -15.498 -2.467 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.607 -15.838 -4.806 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.916 -15.663 -4.017 1.00 0.00 H new ATOM 29 P DG A 2 -10.308 -12.011 0.002 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.420 -12.036 0.977 1.00 0.00 O ATOM 31 OP2 DG A 2 -10.223 -10.914 -0.988 1.00 0.00 O ATOM 32 O5' DG A 2 -8.923 -12.060 0.822 1.00 0.00 O ATOM 33 C5' DG A 2 -8.582 -13.162 1.641 1.00 0.00 C ATOM 34 C4' DG A 2 -7.762 -12.709 2.860 1.00 0.00 C ATOM 35 O4' DG A 2 -6.424 -12.541 2.418 1.00 0.00 O ATOM 36 C3' DG A 2 -8.227 -11.370 3.442 1.00 0.00 C ATOM 37 O3' DG A 2 -7.963 -11.374 4.839 1.00 0.00 O ATOM 38 C2' DG A 2 -7.317 -10.407 2.690 1.00 0.00 C ATOM 39 C1' DG A 2 -6.011 -11.205 2.638 1.00 0.00 C ATOM 40 N9 DG A 2 -5.124 -10.888 1.485 1.00 0.00 N ATOM 41 C8 DG A 2 -5.458 -10.721 0.158 1.00 0.00 C ATOM 42 N7 DG A 2 -4.437 -10.570 -0.637 1.00 0.00 N ATOM 43 C5 DG A 2 -3.337 -10.651 0.207 1.00 0.00 C ATOM 44 C6 DG A 2 -1.943 -10.581 -0.099 1.00 0.00 C ATOM 45 O6 DG A 2 -1.416 -10.434 -1.198 1.00 0.00 O ATOM 46 N1 DG A 2 -1.142 -10.705 1.031 1.00 0.00 N ATOM 47 C2 DG A 2 -1.625 -10.901 2.311 1.00 0.00 C ATOM 48 N2 DG A 2 -0.722 -10.997 3.291 1.00 0.00 N ATOM 49 N3 DG A 2 -2.936 -10.996 2.596 1.00 0.00 N ATOM 50 C4 DG A 2 -3.743 -10.856 1.506 1.00 0.00 C ATOM 0 H5' DG A 2 -8.010 -13.887 1.062 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.489 -13.666 1.975 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.876 -13.461 3.641 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.285 -11.132 3.336 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.697 -10.175 1.695 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.199 -9.459 3.215 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.453 -10.992 3.549 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.479 -10.716 -0.193 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.131 -10.647 0.907 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.027 -11.142 4.253 1.00 0.00 H new ATOM 0 H22 DG A 2 0.273 -10.925 3.077 1.00 0.00 H new ATOM 62 P DC A 3 -8.220 -10.085 5.786 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.390 -10.568 7.174 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.273 -9.248 5.168 1.00 0.00 O ATOM 65 O5' DC A 3 -6.820 -9.280 5.702 1.00 0.00 O ATOM 66 C5' DC A 3 -5.643 -9.803 6.287 1.00 0.00 C ATOM 67 C4' DC A 3 -4.413 -8.924 6.018 1.00 0.00 C ATOM 68 O4' DC A 3 -4.118 -9.105 4.653 1.00 0.00 O ATOM 69 C3' DC A 3 -4.580 -7.402 6.209 1.00 0.00 C ATOM 70 O3' DC A 3 -4.000 -6.939 7.417 1.00 0.00 O ATOM 71 C2' DC A 3 -3.877 -6.829 4.975 1.00 0.00 C ATOM 72 C1' DC A 3 -3.251 -8.056 4.321 1.00 0.00 C ATOM 73 N1 DC A 3 -3.219 -7.888 2.860 1.00 0.00 N ATOM 74 C2 DC A 3 -2.016 -7.597 2.226 1.00 0.00 C ATOM 75 O2 DC A 3 -0.951 -7.626 2.834 1.00 0.00 O ATOM 76 N3 DC A 3 -2.045 -7.277 0.901 1.00 0.00 N ATOM 77 C4 DC A 3 -3.205 -7.165 0.239 1.00 0.00 C ATOM 78 N4 DC A 3 -3.172 -6.951 -1.079 1.00 0.00 N ATOM 79 C5 DC A 3 -4.451 -7.348 0.926 1.00 0.00 C ATOM 80 C6 DC A 3 -4.399 -7.744 2.198 1.00 0.00 C ATOM 0 H5' DC A 3 -5.462 -10.805 5.898 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.788 -9.900 7.363 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.658 -9.232 6.741 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.623 -7.097 6.292 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.580 -6.333 4.306 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.123 -6.091 5.249 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.227 -8.229 4.653 1.00 0.00 H new ATOM 0 H41 DC A 3 -4.042 -6.863 -1.603 1.00 0.00 H new ATOM 0 H42 DC A 3 -2.276 -6.876 -1.561 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.395 -7.172 0.432 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.321 -7.957 2.719 1.00 0.00 H new ATOM 92 P DT A 4 -4.339 -5.474 8.031 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.217 -5.579 9.502 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.610 -4.993 7.442 1.00 0.00 O ATOM 95 O5' DT A 4 -3.169 -4.484 7.519 1.00 0.00 O ATOM 96 C5' DT A 4 -3.083 -3.162 8.028 1.00 0.00 C ATOM 97 C4' DT A 4 -1.900 -2.404 7.413 1.00 0.00 C ATOM 98 O4' DT A 4 -2.184 -2.243 6.036 1.00 0.00 O ATOM 99 C3' DT A 4 -1.758 -0.990 8.006 1.00 0.00 C ATOM 100 O3' DT A 4 -0.396 -0.773 8.341 1.00 0.00 O ATOM 101 C2' DT A 4 -2.207 -0.080 6.862 1.00 0.00 C ATOM 102 C1' DT A 4 -1.798 -0.937 5.670 1.00 0.00 C ATOM 103 N1 DT A 4 -2.480 -0.616 4.386 1.00 0.00 N ATOM 104 C2 DT A 4 -1.686 -0.525 3.248 1.00 0.00 C ATOM 105 O2 DT A 4 -0.459 -0.503 3.282 1.00 0.00 O ATOM 106 N3 DT A 4 -2.355 -0.458 2.038 1.00 0.00 N ATOM 107 C4 DT A 4 -3.726 -0.433 1.854 1.00 0.00 C ATOM 108 O4 DT A 4 -4.191 -0.404 0.717 1.00 0.00 O ATOM 109 C5 DT A 4 -4.487 -0.449 3.087 1.00 0.00 C ATOM 110 C7 DT A 4 -6.000 -0.364 3.033 1.00 0.00 C ATOM 111 C6 DT A 4 -3.854 -0.548 4.285 1.00 0.00 C ATOM 0 H5' DT A 4 -2.973 -3.194 9.112 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.009 -2.628 7.817 1.00 0.00 H new ATOM 0 H4' DT A 4 -0.985 -2.963 7.607 1.00 0.00 H new ATOM 0 H3' DT A 4 -2.338 -0.818 8.913 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.278 0.120 6.884 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.702 0.886 6.874 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.736 -0.780 5.480 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.779 -0.424 1.197 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.425 -0.896 3.884 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.307 0.681 3.068 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.357 -0.817 2.108 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.446 -0.574 5.188 1.00 0.00 H new ATOM 124 P DA A 5 0.103 0.574 9.082 1.00 0.00 P ATOM 125 OP1 DA A 5 1.195 0.201 10.008 1.00 0.00 O ATOM 126 OP2 DA A 5 -1.083 1.288 9.603 1.00 0.00 O ATOM 127 O5' DA A 5 0.727 1.464 7.885 1.00 0.00 O ATOM 128 C5' DA A 5 2.083 1.342 7.499 1.00 0.00 C ATOM 129 C4' DA A 5 2.605 2.378 6.516 1.00 0.00 C ATOM 130 O4' DA A 5 1.979 2.162 5.256 1.00 0.00 O ATOM 131 C3' DA A 5 2.201 3.735 7.074 1.00 0.00 C ATOM 132 O3' DA A 5 3.131 4.752 6.774 1.00 0.00 O ATOM 133 C2' DA A 5 0.948 3.916 6.258 1.00 0.00 C ATOM 134 C1' DA A 5 1.308 3.348 4.889 1.00 0.00 C ATOM 135 N9 DA A 5 0.116 2.969 4.086 1.00 0.00 N ATOM 136 C8 DA A 5 -1.226 3.014 4.394 1.00 0.00 C ATOM 137 N7 DA A 5 -2.020 2.787 3.384 1.00 0.00 N ATOM 138 C5 DA A 5 -1.145 2.529 2.338 1.00 0.00 C ATOM 139 C6 DA A 5 -1.333 2.230 0.973 1.00 0.00 C ATOM 140 N6 DA A 5 -2.533 2.206 0.381 1.00 0.00 N ATOM 141 N1 DA A 5 -0.248 1.943 0.234 1.00 0.00 N ATOM 142 C2 DA A 5 0.955 1.971 0.799 1.00 0.00 C ATOM 143 N3 DA A 5 1.265 2.275 2.052 1.00 0.00 N ATOM 144 C4 DA A 5 0.154 2.556 2.780 1.00 0.00 C ATOM 0 H5' DA A 5 2.225 0.354 7.061 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.699 1.384 8.398 1.00 0.00 H new ATOM 0 H4' DA A 5 3.685 2.318 6.384 1.00 0.00 H new ATOM 0 H3' DA A 5 2.111 3.784 8.159 1.00 0.00 H new ATOM 0 H2' DA A 5 0.105 3.385 6.700 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.664 4.966 6.191 1.00 0.00 H new ATOM 0 H1' DA A 5 1.863 4.061 4.280 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.591 3.220 5.389 1.00 0.00 H new ATOM 0 H61 DA A 5 -2.608 1.983 -0.611 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.373 2.411 0.922 1.00 0.00 H new ATOM 0 H2 DA A 5 1.784 1.714 0.157 1.00 0.00 H new ATOM 156 P DG A 6 4.554 4.941 7.544 1.00 0.00 P ATOM 157 OP1 DG A 6 5.456 3.840 7.137 1.00 0.00 O ATOM 158 OP2 DG A 6 4.293 5.201 8.977 1.00 0.00 O ATOM 159 O5' DG A 6 5.085 6.307 6.850 1.00 0.00 O ATOM 160 C5' DG A 6 4.506 6.675 5.620 1.00 0.00 C ATOM 161 C4' DG A 6 5.167 7.730 4.738 1.00 0.00 C ATOM 162 O4' DG A 6 4.160 8.018 3.790 1.00 0.00 O ATOM 163 C3' DG A 6 5.432 9.013 5.523 1.00 0.00 C ATOM 164 O3' DG A 6 6.294 9.959 4.912 1.00 0.00 O ATOM 165 C2' DG A 6 4.062 9.666 5.470 1.00 0.00 C ATOM 166 C1' DG A 6 3.711 9.334 4.020 1.00 0.00 C ATOM 167 N9 DG A 6 2.281 9.428 3.665 1.00 0.00 N ATOM 168 C8 DG A 6 1.176 9.684 4.440 1.00 0.00 C ATOM 169 N7 DG A 6 0.050 9.660 3.783 1.00 0.00 N ATOM 170 C5 DG A 6 0.426 9.333 2.484 1.00 0.00 C ATOM 171 C6 DG A 6 -0.369 9.030 1.339 1.00 0.00 C ATOM 172 O6 DG A 6 -1.593 9.058 1.234 1.00 0.00 O ATOM 173 N1 DG A 6 0.407 8.660 0.243 1.00 0.00 N ATOM 174 C2 DG A 6 1.782 8.538 0.254 1.00 0.00 C ATOM 175 N2 DG A 6 2.383 8.142 -0.871 1.00 0.00 N ATOM 176 N3 DG A 6 2.525 8.788 1.338 1.00 0.00 N ATOM 177 C4 DG A 6 1.790 9.183 2.410 1.00 0.00 C ATOM 0 H5' DG A 6 3.494 7.020 5.831 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.415 5.768 5.023 1.00 0.00 H new ATOM 0 H4' DG A 6 6.116 7.386 4.327 1.00 0.00 H new ATOM 0 H3' DG A 6 5.889 8.762 6.480 1.00 0.00 H new ATOM 0 H2' DG A 6 3.360 9.236 6.185 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.096 10.738 5.663 1.00 0.00 H new ATOM 0 H1' DG A 6 4.194 10.084 3.394 1.00 0.00 H new ATOM 0 H8 DG A 6 1.235 9.887 5.499 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.077 8.465 -0.633 1.00 0.00 H new ATOM 0 H21 DG A 6 3.398 8.041 -0.899 1.00 0.00 H new ATOM 0 H22 DG A 6 1.827 7.940 -1.702 1.00 0.00 H new ATOM 189 P DC A 7 7.830 9.704 4.499 1.00 0.00 P ATOM 190 OP1 DC A 7 8.155 8.263 4.578 1.00 0.00 O ATOM 191 OP2 DC A 7 8.670 10.692 5.211 1.00 0.00 O ATOM 192 O5' DC A 7 7.728 10.144 2.949 1.00 0.00 O ATOM 193 C5' DC A 7 7.366 9.235 1.927 1.00 0.00 C ATOM 194 C4' DC A 7 6.677 9.948 0.754 1.00 0.00 C ATOM 195 O4' DC A 7 5.316 10.175 1.108 1.00 0.00 O ATOM 196 C3' DC A 7 7.285 11.321 0.398 1.00 0.00 C ATOM 197 O3' DC A 7 7.453 11.369 -1.015 1.00 0.00 O ATOM 198 C2' DC A 7 6.173 12.253 0.899 1.00 0.00 C ATOM 199 C1' DC A 7 4.956 11.412 0.535 1.00 0.00 C ATOM 200 N1 DC A 7 3.615 11.896 1.001 1.00 0.00 N ATOM 201 C2 DC A 7 2.522 11.705 0.141 1.00 0.00 C ATOM 202 O2 DC A 7 2.660 11.285 -1.007 1.00 0.00 O ATOM 203 N3 DC A 7 1.271 11.993 0.591 1.00 0.00 N ATOM 204 C4 DC A 7 1.071 12.512 1.807 1.00 0.00 C ATOM 205 N4 DC A 7 -0.185 12.753 2.194 1.00 0.00 N ATOM 206 C5 DC A 7 2.177 12.822 2.669 1.00 0.00 C ATOM 207 C6 DC A 7 3.419 12.502 2.227 1.00 0.00 C ATOM 0 H5' DC A 7 6.699 8.476 2.334 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.256 8.718 1.567 1.00 0.00 H new ATOM 0 H4' DC A 7 6.802 9.299 -0.113 1.00 0.00 H new ATOM 0 H3' DC A 7 8.259 11.563 0.822 1.00 0.00 H new ATOM 0 H2' DC A 7 6.242 12.449 1.969 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.179 13.220 0.396 1.00 0.00 H new ATOM 0 H1' DC A 7 4.776 11.415 -0.540 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.367 13.149 3.116 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.961 12.541 1.567 1.00 0.00 H new ATOM 0 H5 DC A 7 2.026 13.291 3.630 1.00 0.00 H new ATOM 0 H6 DC A 7 4.274 12.726 2.848 1.00 0.00 H new ATOM 219 P DG A 8 8.169 12.603 -1.786 1.00 0.00 P ATOM 220 OP1 DG A 8 9.433 12.103 -2.370 1.00 0.00 O ATOM 221 OP2 DG A 8 8.193 13.782 -0.891 1.00 0.00 O ATOM 222 O5' DG A 8 7.142 12.913 -2.999 1.00 0.00 O ATOM 223 C5' DG A 8 5.747 12.966 -2.769 1.00 0.00 C ATOM 224 C4' DG A 8 5.054 14.143 -3.411 1.00 0.00 C ATOM 225 O4' DG A 8 3.751 13.939 -2.930 1.00 0.00 O ATOM 226 C3' DG A 8 5.444 15.515 -2.876 1.00 0.00 C ATOM 227 O3' DG A 8 6.422 16.136 -3.682 1.00 0.00 O ATOM 228 C2' DG A 8 4.105 16.252 -2.960 1.00 0.00 C ATOM 229 C1' DG A 8 3.068 15.132 -3.124 1.00 0.00 C ATOM 230 N9 DG A 8 2.047 15.155 -2.057 1.00 0.00 N ATOM 231 C8 DG A 8 2.257 15.092 -0.704 1.00 0.00 C ATOM 232 N7 DG A 8 1.165 15.097 0.006 1.00 0.00 N ATOM 233 C5 DG A 8 0.153 15.155 -0.945 1.00 0.00 C ATOM 234 C6 DG A 8 -1.263 15.170 -0.773 1.00 0.00 C ATOM 235 O6 DG A 8 -1.897 15.095 0.276 1.00 0.00 O ATOM 236 N1 DG A 8 -1.942 15.286 -1.982 1.00 0.00 N ATOM 237 C2 DG A 8 -1.333 15.338 -3.222 1.00 0.00 C ATOM 238 N2 DG A 8 -2.131 15.425 -4.291 1.00 0.00 N ATOM 239 N3 DG A 8 0.000 15.300 -3.388 1.00 0.00 N ATOM 240 C4 DG A 8 0.683 15.213 -2.213 1.00 0.00 C ATOM 0 H5' DG A 8 5.569 12.997 -1.694 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.295 12.047 -3.140 1.00 0.00 H new ATOM 0 H4' DG A 8 5.258 14.166 -4.482 1.00 0.00 H new ATOM 0 H3' DG A 8 5.890 15.494 -1.881 1.00 0.00 H new ATOM 0 H2' DG A 8 3.917 16.840 -2.062 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.083 16.942 -3.803 1.00 0.00 H new ATOM 0 HO3' DG A 8 6.645 17.014 -3.308 1.00 0.00 H new ATOM 0 H1' DG A 8 2.590 15.247 -4.097 1.00 0.00 H new ATOM 0 H8 DG A 8 3.242 15.043 -0.265 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.960 15.336 -1.951 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.727 15.466 -5.227 1.00 0.00 H new ATOM 0 H22 DG A 8 -3.144 15.450 -4.171 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -11.487 17.694 -2.441 1.00 0.00 O ATOM 255 C5' DC B 1 -10.994 16.379 -2.582 1.00 0.00 C ATOM 256 C4' DC B 1 -9.847 16.349 -3.599 1.00 0.00 C ATOM 257 O4' DC B 1 -8.787 17.131 -3.072 1.00 0.00 O ATOM 258 C3' DC B 1 -9.321 14.921 -3.805 1.00 0.00 C ATOM 259 O3' DC B 1 -9.320 14.647 -5.192 1.00 0.00 O ATOM 260 C2' DC B 1 -7.918 14.985 -3.212 1.00 0.00 C ATOM 261 C1' DC B 1 -7.561 16.457 -3.288 1.00 0.00 C ATOM 262 N1 DC B 1 -6.615 16.765 -2.184 1.00 0.00 N ATOM 263 C2 DC B 1 -5.251 16.584 -2.419 1.00 0.00 C ATOM 264 O2 DC B 1 -4.828 16.315 -3.542 1.00 0.00 O ATOM 265 N3 DC B 1 -4.388 16.709 -1.370 1.00 0.00 N ATOM 266 C4 DC B 1 -4.830 16.973 -0.132 1.00 0.00 C ATOM 267 N4 DC B 1 -3.942 17.045 0.864 1.00 0.00 N ATOM 268 C5 DC B 1 -6.233 17.106 0.145 1.00 0.00 C ATOM 269 C6 DC B 1 -7.078 16.985 -0.906 1.00 0.00 C ATOM 0 H5' DC B 1 -11.795 15.715 -2.907 1.00 0.00 H new ATOM 0 H5'' DC B 1 -10.645 16.009 -1.618 1.00 0.00 H new ATOM 0 H4' DC B 1 -10.209 16.730 -4.554 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.909 14.130 -3.339 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.901 14.622 -2.185 1.00 0.00 H new ATOM 0 H2'' DC B 1 -7.216 14.373 -3.778 1.00 0.00 H new ATOM 0 HO5' DC B 1 -10.751 18.332 -2.545 1.00 0.00 H new ATOM 0 H1' DC B 1 -7.097 16.744 -4.232 1.00 0.00 H new ATOM 0 H41 DC B 1 -4.256 17.245 1.814 1.00 0.00 H new ATOM 0 H42 DC B 1 -2.950 16.900 0.674 1.00 0.00 H new ATOM 0 H5 DC B 1 -6.597 17.294 1.144 1.00 0.00 H new ATOM 0 H6 DC B 1 -8.142 17.063 -0.738 1.00 0.00 H new ATOM 282 P DG B 2 -8.925 13.201 -5.787 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.348 13.160 -7.204 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.396 12.155 -4.851 1.00 0.00 O ATOM 285 O5' DG B 2 -7.316 13.228 -5.745 1.00 0.00 O ATOM 286 C5' DG B 2 -6.577 14.302 -6.296 1.00 0.00 C ATOM 287 C4' DG B 2 -5.217 13.824 -6.827 1.00 0.00 C ATOM 288 O4' DG B 2 -4.357 13.703 -5.704 1.00 0.00 O ATOM 289 C3' DG B 2 -5.277 12.456 -7.513 1.00 0.00 C ATOM 290 O3' DG B 2 -4.281 12.423 -8.526 1.00 0.00 O ATOM 291 C2' DG B 2 -4.937 11.540 -6.344 1.00 0.00 C ATOM 292 C1' DG B 2 -3.881 12.373 -5.610 1.00 0.00 C ATOM 293 N9 DG B 2 -3.772 12.109 -4.150 1.00 0.00 N ATOM 294 C8 DG B 2 -4.778 11.975 -3.217 1.00 0.00 C ATOM 295 N7 DG B 2 -4.358 11.851 -1.990 1.00 0.00 N ATOM 296 C5 DG B 2 -2.975 11.912 -2.098 1.00 0.00 C ATOM 297 C6 DG B 2 -1.972 11.845 -1.082 1.00 0.00 C ATOM 298 O6 DG B 2 -2.125 11.744 0.133 1.00 0.00 O ATOM 299 N1 DG B 2 -0.684 11.908 -1.602 1.00 0.00 N ATOM 300 C2 DG B 2 -0.390 12.074 -2.941 1.00 0.00 C ATOM 301 N2 DG B 2 0.903 12.098 -3.280 1.00 0.00 N ATOM 302 N3 DG B 2 -1.333 12.186 -3.891 1.00 0.00 N ATOM 303 C4 DG B 2 -2.605 12.084 -3.412 1.00 0.00 C ATOM 0 H5' DG B 2 -6.425 15.070 -5.537 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.145 14.761 -7.105 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.873 14.544 -7.570 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.215 12.194 -8.002 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.805 11.332 -5.718 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.545 10.578 -6.675 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.911 12.151 -6.054 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.825 11.973 -3.481 1.00 0.00 H new ATOM 0 H1 DG B 2 0.096 11.826 -0.950 1.00 0.00 H new ATOM 0 H21 DG B 2 1.172 12.218 -4.256 1.00 0.00 H new ATOM 0 H22 DG B 2 1.620 11.996 -2.562 1.00 0.00 H new ATOM 315 P DC B 3 -3.944 11.096 -9.393 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.336 11.529 -10.671 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.142 10.227 -9.410 1.00 0.00 O ATOM 318 O5' DC B 3 -2.800 10.362 -8.515 1.00 0.00 O ATOM 319 C5' DC B 3 -1.511 10.931 -8.378 1.00 0.00 C ATOM 320 C4' DC B 3 -0.613 10.124 -7.431 1.00 0.00 C ATOM 321 O4' DC B 3 -1.166 10.304 -6.149 1.00 0.00 O ATOM 322 C3' DC B 3 -0.555 8.598 -7.652 1.00 0.00 C ATOM 323 O3' DC B 3 0.664 8.184 -8.243 1.00 0.00 O ATOM 324 C2' DC B 3 -0.718 8.047 -6.232 1.00 0.00 C ATOM 325 C1' DC B 3 -0.608 9.289 -5.361 1.00 0.00 C ATOM 326 N1 DC B 3 -1.398 9.103 -4.134 1.00 0.00 N ATOM 327 C2 DC B 3 -0.749 8.791 -2.943 1.00 0.00 C ATOM 328 O2 DC B 3 0.475 8.804 -2.860 1.00 0.00 O ATOM 329 N3 DC B 3 -1.512 8.469 -1.861 1.00 0.00 N ATOM 330 C4 DC B 3 -2.844 8.371 -1.951 1.00 0.00 C ATOM 331 N4 DC B 3 -3.544 8.178 -0.829 1.00 0.00 N ATOM 332 C5 DC B 3 -3.498 8.551 -3.214 1.00 0.00 C ATOM 333 C6 DC B 3 -2.746 8.950 -4.242 1.00 0.00 C ATOM 0 H5' DC B 3 -1.605 11.951 -8.004 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.038 10.993 -9.358 1.00 0.00 H new ATOM 0 H4' DC B 3 0.402 10.486 -7.593 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.316 8.240 -8.345 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.678 7.548 -6.102 1.00 0.00 H new ATOM 0 H2'' DC B 3 0.056 7.317 -5.992 1.00 0.00 H new ATOM 0 H1' DC B 3 0.415 9.511 -5.055 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.560 8.100 -0.869 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.062 8.109 0.067 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.557 8.371 -3.329 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.222 9.158 -5.189 1.00 0.00 H new ATOM 345 P DT B 4 0.863 6.691 -8.849 1.00 0.00 P ATOM 346 OP1 DT B 4 1.840 6.794 -9.955 1.00 0.00 O ATOM 347 OP2 DT B 4 -0.470 6.103 -9.112 1.00 0.00 O ATOM 348 O5' DT B 4 1.549 5.821 -7.673 1.00 0.00 O ATOM 349 C5' DT B 4 2.040 4.518 -7.946 1.00 0.00 C ATOM 350 C4' DT B 4 2.650 3.879 -6.693 1.00 0.00 C ATOM 351 O4' DT B 4 1.597 3.660 -5.774 1.00 0.00 O ATOM 352 C3' DT B 4 3.262 2.501 -7.002 1.00 0.00 C ATOM 353 O3' DT B 4 4.585 2.469 -6.490 1.00 0.00 O ATOM 354 C2' DT B 4 2.344 1.527 -6.261 1.00 0.00 C ATOM 355 C1' DT B 4 1.840 2.426 -5.137 1.00 0.00 C ATOM 356 N1 DT B 4 0.559 1.999 -4.509 1.00 0.00 N ATOM 357 C2 DT B 4 0.501 1.971 -3.119 1.00 0.00 C ATOM 358 O2 DT B 4 1.491 2.077 -2.399 1.00 0.00 O ATOM 359 N3 DT B 4 -0.757 1.816 -2.562 1.00 0.00 N ATOM 360 C4 DT B 4 -1.948 1.656 -3.247 1.00 0.00 C ATOM 361 O4 DT B 4 -3.002 1.557 -2.623 1.00 0.00 O ATOM 362 C5 DT B 4 -1.799 1.624 -4.690 1.00 0.00 C ATOM 363 C7 DT B 4 -3.023 1.420 -5.561 1.00 0.00 C ATOM 364 C6 DT B 4 -0.578 1.796 -5.261 1.00 0.00 C ATOM 0 H5' DT B 4 2.791 4.568 -8.734 1.00 0.00 H new ATOM 0 H5'' DT B 4 1.229 3.892 -8.318 1.00 0.00 H new ATOM 0 H4' DT B 4 3.427 4.540 -6.309 1.00 0.00 H new ATOM 0 H3' DT B 4 3.328 2.261 -8.063 1.00 0.00 H new ATOM 0 H2' DT B 4 1.535 1.158 -6.891 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.880 0.655 -5.886 1.00 0.00 H new ATOM 0 H1' DT B 4 2.576 2.427 -4.333 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.811 1.820 -1.543 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.878 1.924 -6.516 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.174 0.354 -5.733 1.00 0.00 H new ATOM 0 H73 DT B 4 -3.898 1.834 -5.061 1.00 0.00 H new ATOM 0 H6 DT B 4 -0.496 1.773 -6.338 1.00 0.00 H new ATOM 377 P DA B 5 5.594 1.240 -6.784 1.00 0.00 P ATOM 378 OP1 DA B 5 6.974 1.770 -6.734 1.00 0.00 O ATOM 379 OP2 DA B 5 5.128 0.534 -7.998 1.00 0.00 O ATOM 380 O5' DA B 5 5.381 0.250 -5.525 1.00 0.00 O ATOM 381 C5' DA B 5 6.044 0.457 -4.289 1.00 0.00 C ATOM 382 C4' DA B 5 5.922 -0.647 -3.233 1.00 0.00 C ATOM 383 O4' DA B 5 4.686 -0.480 -2.509 1.00 0.00 O ATOM 384 C3' DA B 5 5.935 -1.976 -3.987 1.00 0.00 C ATOM 385 O3' DA B 5 6.587 -3.018 -3.301 1.00 0.00 O ATOM 386 C2' DA B 5 4.432 -2.152 -3.979 1.00 0.00 C ATOM 387 C1' DA B 5 3.879 -1.639 -2.681 1.00 0.00 C ATOM 388 N9 DA B 5 2.419 -1.325 -2.700 1.00 0.00 N ATOM 389 C8 DA B 5 1.498 -1.329 -3.734 1.00 0.00 C ATOM 390 N7 DA B 5 0.258 -1.194 -3.356 1.00 0.00 N ATOM 391 C5 DA B 5 0.345 -1.129 -1.975 1.00 0.00 C ATOM 392 C6 DA B 5 -0.629 -1.080 -0.960 1.00 0.00 C ATOM 393 N6 DA B 5 -1.941 -1.009 -1.214 1.00 0.00 N ATOM 394 N1 DA B 5 -0.216 -1.143 0.318 1.00 0.00 N ATOM 395 C2 DA B 5 1.087 -1.212 0.580 1.00 0.00 C ATOM 396 N3 DA B 5 2.097 -1.236 -0.282 1.00 0.00 N ATOM 397 C4 DA B 5 1.653 -1.204 -1.566 1.00 0.00 C ATOM 0 H5' DA B 5 5.667 1.383 -3.855 1.00 0.00 H new ATOM 0 H5'' DA B 5 7.103 0.611 -4.496 1.00 0.00 H new ATOM 0 H4' DA B 5 6.738 -0.611 -2.511 1.00 0.00 H new ATOM 0 H3' DA B 5 6.457 -1.989 -4.944 1.00 0.00 H new ATOM 0 H2' DA B 5 3.987 -1.613 -4.815 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.177 -3.204 -4.106 1.00 0.00 H new ATOM 0 H1' DA B 5 3.924 -2.369 -1.873 1.00 0.00 H new ATOM 0 H8 DA B 5 1.784 -1.435 -4.770 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.609 -0.976 -0.444 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.273 -0.988 -2.178 1.00 0.00 H new ATOM 0 H2 DA B 5 1.357 -1.254 1.625 1.00 0.00 H new ATOM 409 P DG B 6 8.177 -3.345 -3.482 1.00 0.00 P ATOM 410 OP1 DG B 6 8.943 -2.288 -2.785 1.00 0.00 O ATOM 411 OP2 DG B 6 8.439 -3.637 -4.907 1.00 0.00 O ATOM 412 O5' DG B 6 8.316 -4.729 -2.639 1.00 0.00 O ATOM 413 C5' DG B 6 7.164 -5.192 -1.978 1.00 0.00 C ATOM 414 C4' DG B 6 7.179 -6.363 -1.009 1.00 0.00 C ATOM 415 O4' DG B 6 5.812 -6.658 -0.822 1.00 0.00 O ATOM 416 C3' DG B 6 7.831 -7.571 -1.669 1.00 0.00 C ATOM 417 O3' DG B 6 8.283 -8.608 -0.815 1.00 0.00 O ATOM 418 C2' DG B 6 6.639 -8.167 -2.397 1.00 0.00 C ATOM 419 C1' DG B 6 5.577 -7.952 -1.315 1.00 0.00 C ATOM 420 N9 DG B 6 4.169 -8.001 -1.755 1.00 0.00 N ATOM 421 C8 DG B 6 3.635 -8.078 -3.014 1.00 0.00 C ATOM 422 N7 DG B 6 2.331 -8.059 -3.048 1.00 0.00 N ATOM 423 C5 DG B 6 1.969 -7.934 -1.712 1.00 0.00 C ATOM 424 C6 DG B 6 0.684 -7.770 -1.115 1.00 0.00 C ATOM 425 O6 DG B 6 -0.408 -7.710 -1.676 1.00 0.00 O ATOM 426 N1 DG B 6 0.756 -7.670 0.273 1.00 0.00 N ATOM 427 C2 DG B 6 1.933 -7.662 0.999 1.00 0.00 C ATOM 428 N2 DG B 6 1.854 -7.548 2.328 1.00 0.00 N ATOM 429 N3 DG B 6 3.140 -7.762 0.432 1.00 0.00 N ATOM 430 C4 DG B 6 3.089 -7.899 -0.917 1.00 0.00 C ATOM 0 H5' DG B 6 6.442 -5.443 -2.755 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.760 -4.342 -1.429 1.00 0.00 H new ATOM 0 H4' DG B 6 7.719 -6.136 -0.090 1.00 0.00 H new ATOM 0 H3' DG B 6 8.714 -7.244 -2.218 1.00 0.00 H new ATOM 0 H2' DG B 6 6.407 -7.646 -3.326 1.00 0.00 H new ATOM 0 H2'' DG B 6 6.780 -9.218 -2.648 1.00 0.00 H new ATOM 0 H1' DG B 6 5.679 -8.769 -0.601 1.00 0.00 H new ATOM 0 H8 DG B 6 4.243 -8.149 -3.904 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.121 -7.598 0.790 1.00 0.00 H new ATOM 0 H21 DG B 6 2.705 -7.539 2.891 1.00 0.00 H new ATOM 0 H22 DG B 6 0.943 -7.470 2.780 1.00 0.00 H new ATOM 442 P DC B 7 9.335 -8.441 0.393 1.00 0.00 P ATOM 443 OP1 DC B 7 9.603 -7.009 0.654 1.00 0.00 O ATOM 444 OP2 DC B 7 10.459 -9.374 0.159 1.00 0.00 O ATOM 445 O5' DC B 7 8.417 -9.038 1.579 1.00 0.00 O ATOM 446 C5' DC B 7 7.550 -8.226 2.348 1.00 0.00 C ATOM 447 C4' DC B 7 6.377 -9.037 2.919 1.00 0.00 C ATOM 448 O4' DC B 7 5.390 -9.178 1.899 1.00 0.00 O ATOM 449 C3' DC B 7 6.750 -10.460 3.382 1.00 0.00 C ATOM 450 O3' DC B 7 6.192 -10.654 4.677 1.00 0.00 O ATOM 451 C2' DC B 7 6.055 -11.294 2.295 1.00 0.00 C ATOM 452 C1' DC B 7 4.808 -10.449 2.082 1.00 0.00 C ATOM 453 N1 DC B 7 3.900 -10.843 0.957 1.00 0.00 N ATOM 454 C2 DC B 7 2.516 -10.753 1.172 1.00 0.00 C ATOM 455 O2 DC B 7 2.041 -10.542 2.287 1.00 0.00 O ATOM 456 N3 DC B 7 1.672 -10.904 0.113 1.00 0.00 N ATOM 457 C4 DC B 7 2.136 -11.223 -1.101 1.00 0.00 C ATOM 458 N4 DC B 7 1.262 -11.338 -2.105 1.00 0.00 N ATOM 459 C5 DC B 7 3.535 -11.463 -1.319 1.00 0.00 C ATOM 460 C6 DC B 7 4.370 -11.263 -0.271 1.00 0.00 C ATOM 0 H5' DC B 7 7.166 -7.415 1.730 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.108 -7.768 3.164 1.00 0.00 H new ATOM 0 H4' DC B 7 6.028 -8.488 3.794 1.00 0.00 H new ATOM 0 H3' DC B 7 7.810 -10.698 3.478 1.00 0.00 H new ATOM 0 H2' DC B 7 6.657 -11.387 1.391 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.823 -12.305 2.629 1.00 0.00 H new ATOM 0 H1' DC B 7 4.107 -10.542 2.911 1.00 0.00 H new ATOM 0 H41 DC B 7 1.589 -11.580 -3.040 1.00 0.00 H new ATOM 0 H42 DC B 7 0.268 -11.184 -1.936 1.00 0.00 H new ATOM 0 H5 DC B 7 3.906 -11.790 -2.279 1.00 0.00 H new ATOM 0 H6 DC B 7 5.428 -11.436 -0.399 1.00 0.00 H new ATOM 472 P DG B 8 6.456 -11.981 5.570 1.00 0.00 P ATOM 473 OP1 DG B 8 7.266 -11.588 6.744 1.00 0.00 O ATOM 474 OP2 DG B 8 6.926 -13.071 4.687 1.00 0.00 O ATOM 475 O5' DG B 8 4.969 -12.361 6.087 1.00 0.00 O ATOM 476 C5' DG B 8 3.865 -12.294 5.207 1.00 0.00 C ATOM 477 C4' DG B 8 2.902 -13.450 5.323 1.00 0.00 C ATOM 478 O4' DG B 8 2.038 -13.125 4.265 1.00 0.00 O ATOM 479 C3' DG B 8 3.458 -14.821 4.959 1.00 0.00 C ATOM 480 O3' DG B 8 3.845 -15.553 6.103 1.00 0.00 O ATOM 481 C2' DG B 8 2.244 -15.457 4.278 1.00 0.00 C ATOM 482 C1' DG B 8 1.316 -14.273 3.972 1.00 0.00 C ATOM 483 N9 DG B 8 1.009 -14.157 2.532 1.00 0.00 N ATOM 484 C8 DG B 8 1.901 -14.057 1.495 1.00 0.00 C ATOM 485 N7 DG B 8 1.346 -13.957 0.322 1.00 0.00 N ATOM 486 C5 DG B 8 -0.016 -13.971 0.599 1.00 0.00 C ATOM 487 C6 DG B 8 -1.129 -13.875 -0.288 1.00 0.00 C ATOM 488 O6 DG B 8 -1.114 -13.715 -1.505 1.00 0.00 O ATOM 489 N1 DG B 8 -2.347 -13.987 0.377 1.00 0.00 N ATOM 490 C2 DG B 8 -2.483 -14.123 1.747 1.00 0.00 C ATOM 491 N2 DG B 8 -3.727 -14.200 2.231 1.00 0.00 N ATOM 492 N3 DG B 8 -1.436 -14.183 2.587 1.00 0.00 N ATOM 493 C4 DG B 8 -0.235 -14.108 1.950 1.00 0.00 C ATOM 0 H5' DG B 8 4.235 -12.247 4.183 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.324 -11.366 5.393 1.00 0.00 H new ATOM 0 H4' DG B 8 2.532 -13.543 6.344 1.00 0.00 H new ATOM 0 H3' DG B 8 4.358 -14.786 4.344 1.00 0.00 H new ATOM 0 H2' DG B 8 2.530 -15.984 3.368 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.759 -16.185 4.929 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.195 -16.427 5.829 1.00 0.00 H new ATOM 0 H1' DG B 8 0.395 -14.408 4.539 1.00 0.00 H new ATOM 0 H8 DG B 8 2.971 -14.061 1.639 1.00 0.00 H new ATOM 0 H1 DG B 8 -3.198 -13.967 -0.185 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.878 -14.301 3.235 1.00 0.00 H new ATOM 0 H22 DG B 8 -4.525 -14.158 1.597 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.738 -3.609 4.171 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.132 -3.734 4.236 1.00 0.00 C HETATM 509 C3 TOT A 9 -6.863 -3.896 3.052 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.197 -3.920 1.817 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.004 -3.831 0.595 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.539 -3.716 -0.782 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.698 -3.945 0.953 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.649 -4.185 -0.052 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.411 -3.796 2.572 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.065 -3.722 2.933 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.786 -3.838 1.740 1.00 0.00 C HETATM 518 C12 TOT A 9 2.030 -4.517 -0.939 1.00 0.00 C HETATM 519 C13 TOT A 9 2.861 -4.757 -2.060 1.00 0.00 C HETATM 520 C14 TOT A 9 2.276 -4.962 -3.309 1.00 0.00 C HETATM 521 C15 TOT A 9 0.955 -4.586 -3.532 1.00 0.00 C HETATM 522 C16 TOT A 9 0.120 -4.296 -2.441 1.00 0.00 C HETATM 523 C17 TOT A 9 0.617 -4.393 -1.116 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.240 -4.377 0.033 1.00 0.00 C HETATM 525 C19 TOT A 9 0.369 -4.570 1.286 1.00 0.00 C HETATM 526 C20 TOT A 9 1.747 -4.500 1.422 1.00 0.00 C HETATM 527 N21 TOT A 9 2.564 -4.429 0.346 1.00 0.00 N HETATM 528 C22 TOT A 9 3.966 -4.320 0.790 1.00 0.00 C HETATM 529 C23 TOT A 9 4.907 -3.204 0.346 1.00 0.00 C HETATM 530 C24 TOT A 9 6.127 -3.188 1.297 1.00 0.00 C HETATM 531 N25 TOT A 9 6.973 -1.960 1.267 1.00 0.00 N HETATM 532 C26 TOT A 9 6.122 -0.766 1.556 1.00 0.00 C HETATM 533 C27 TOT A 9 6.874 0.484 2.047 1.00 0.00 C HETATM 534 C28 TOT A 9 7.634 -1.839 -0.050 1.00 0.00 C HETATM 535 C29 TOT A 9 8.030 -2.132 2.298 1.00 0.00 C HETATM 536 C31 TOT A 9 -1.669 4.798 -6.019 1.00 0.00 C HETATM 537 C32 TOT A 9 -2.787 4.879 -6.860 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.060 5.045 -6.298 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.207 5.093 -4.903 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.085 5.036 -2.656 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.304 4.912 -1.817 1.00 0.00 C HETATM 542 C37 TOT A 9 -1.804 5.149 -2.214 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.512 5.289 -0.781 1.00 0.00 C HETATM 544 S39 TOT A 9 -0.653 5.119 -3.396 1.00 0.00 S HETATM 545 C40 TOT A 9 -1.813 4.960 -4.622 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.084 5.051 -4.043 1.00 0.00 C HETATM 547 C42 TOT A 9 0.906 5.763 2.073 1.00 0.00 C HETATM 548 C43 TOT A 9 0.941 6.366 3.340 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.224 6.524 4.087 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.447 6.165 3.519 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.515 5.781 2.163 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.330 5.609 1.395 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.318 5.286 -0.001 1.00 0.00 C HETATM 554 C49 TOT A 9 0.929 4.957 -0.583 1.00 0.00 C HETATM 555 C50 TOT A 9 2.106 4.963 0.175 1.00 0.00 C HETATM 556 N51 TOT A 9 2.087 5.329 1.489 1.00 0.00 N HETATM 557 C52 TOT A 9 3.381 5.241 2.197 1.00 0.00 C HETATM 558 C53 TOT A 9 4.249 4.010 1.893 1.00 0.00 C HETATM 559 C54 TOT A 9 5.321 3.885 2.982 1.00 0.00 C HETATM 560 N55 TOT A 9 6.425 2.924 2.692 1.00 0.00 N HETATM 561 C56 TOT A 9 5.855 1.622 2.237 1.00 0.00 C HETATM 562 C58 TOT A 9 7.186 2.763 3.958 1.00 0.00 C HETATM 563 C59 TOT A 9 7.335 3.493 1.664 1.00 0.00 C HETATM 0 H593 TOT A 9 6.775 3.684 0.748 1.00 0.00 H new HETATM 0 H592 TOT A 9 7.760 4.427 2.031 1.00 0.00 H new HETATM 0 H591 TOT A 9 8.138 2.786 1.458 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.582 3.729 4.270 1.00 0.00 H new HETATM 0 H582 TOT A 9 6.525 2.375 4.733 1.00 0.00 H new HETATM 0 H581 TOT A 9 8.010 2.066 3.801 1.00 0.00 H new HETATM 0 H562 TOT A 9 5.335 1.783 1.292 1.00 0.00 H new HETATM 0 H561 TOT A 9 5.107 1.300 2.961 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.756 4.870 3.153 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.836 3.585 3.911 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.633 3.111 1.864 1.00 0.00 H new HETATM 0 H531 TOT A 9 4.715 4.109 0.913 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.960 6.133 1.960 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.185 5.263 3.269 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.231 4.017 -1.199 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.395 5.789 -1.176 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.182 4.839 -2.459 1.00 0.00 H new HETATM 0 H293 TOT A 9 7.567 -2.255 3.277 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.626 -3.014 2.065 1.00 0.00 H new HETATM 0 H291 TOT A 9 8.674 -1.252 2.309 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.262 -2.713 -0.224 1.00 0.00 H new HETATM 0 H282 TOT A 9 6.878 -1.774 -0.832 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.251 -0.940 -0.066 1.00 0.00 H new HETATM 0 H272 TOT A 9 7.387 0.274 2.986 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.637 0.775 1.325 1.00 0.00 H new HETATM 0 H262 TOT A 9 5.573 -0.506 0.651 1.00 0.00 H new HETATM 0 H261 TOT A 9 5.383 -1.042 2.308 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.768 -3.331 2.316 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.758 -4.044 1.058 1.00 0.00 H new HETATM 0 H232 TOT A 9 5.230 -3.367 -0.682 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.394 -2.243 0.371 1.00 0.00 H new HETATM 0 H222 TOT A 9 3.941 -4.285 1.879 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.449 -5.257 0.513 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.029 -4.224 -1.073 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.129 -2.826 -1.259 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.257 -4.598 -1.357 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.626 -3.640 -0.745 1.00 0.00 H new HETATM 0 H50 TOT A 9 3.048 4.672 -0.290 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.974 4.694 -1.640 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.487 5.614 1.699 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.353 6.181 4.125 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.181 6.922 5.101 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.891 6.715 3.744 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.778 -4.003 0.899 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.410 5.426 -0.178 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.206 5.164 -4.473 1.00 0.00 H new HETATM 0 H33 TOT A 9 -4.934 5.137 -6.943 1.00 0.00 H new HETATM 0 H32 TOT A 9 -2.668 4.813 -7.941 1.00 0.00 H new HETATM 0 H31 TOT A 9 -0.683 4.609 -6.444 1.00 0.00 H new HETATM 0 H3 TOT A 9 -7.947 -4.003 3.090 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.183 -4.502 2.421 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.643 -3.705 5.199 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.249 -4.777 2.160 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.914 -3.995 -2.613 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.570 -4.517 -4.549 1.00 0.00 H new HETATM 0 H14 TOT A 9 2.855 -5.418 -4.112 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.945 -4.781 -1.948 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.168 -3.423 5.082 1.00 0.00 H new