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 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc=-0.00731 (180deg=-0.00731) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot -31:sc= 0.00184 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 -11.639 -15.315 -4.353 1.00 0.00 O ATOM 2 C5' DC A 1 -11.161 -14.069 -3.893 1.00 0.00 C ATOM 3 C4' DC A 1 -10.704 -14.180 -2.433 1.00 0.00 C ATOM 4 O4' DC A 1 -9.603 -15.075 -2.393 1.00 0.00 O ATOM 5 C3' DC A 1 -10.228 -12.824 -1.892 1.00 0.00 C ATOM 6 O3' DC A 1 -10.911 -12.570 -0.680 1.00 0.00 O ATOM 7 C2' DC A 1 -8.733 -13.042 -1.695 1.00 0.00 C ATOM 8 C1' DC A 1 -8.601 -14.544 -1.545 1.00 0.00 C ATOM 9 N1 DC A 1 -7.256 -14.938 -2.041 1.00 0.00 N ATOM 10 C2 DC A 1 -6.188 -14.889 -1.143 1.00 0.00 C ATOM 11 O2 DC A 1 -6.374 -14.691 0.056 1.00 0.00 O ATOM 12 N3 DC A 1 -4.925 -15.062 -1.626 1.00 0.00 N ATOM 13 C4 DC A 1 -4.697 -15.251 -2.933 1.00 0.00 C ATOM 14 N4 DC A 1 -3.433 -15.360 -3.354 1.00 0.00 N ATOM 15 C5 DC A 1 -5.774 -15.254 -3.883 1.00 0.00 C ATOM 16 C6 DC A 1 -7.024 -15.085 -3.390 1.00 0.00 C ATOM 0 H5' DC A 1 -11.945 -13.317 -3.980 1.00 0.00 H new ATOM 0 H5'' DC A 1 -10.331 -13.738 -4.517 1.00 0.00 H new ATOM 0 H4' DC A 1 -11.541 -14.525 -1.826 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.419 -11.965 -2.535 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.160 -12.673 -2.546 1.00 0.00 H new ATOM 0 H2'' DC A 1 -8.366 -12.518 -0.812 1.00 0.00 H new ATOM 0 HO5' DC A 1 -11.929 -15.230 -5.285 1.00 0.00 H new ATOM 0 H1' DC A 1 -8.710 -14.894 -0.518 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.236 -15.504 -4.344 1.00 0.00 H new ATOM 0 H42 DC A 1 -2.666 -15.299 -2.685 1.00 0.00 H new ATOM 0 H5 DC A 1 -5.596 -15.385 -4.940 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.861 -15.065 -4.073 1.00 0.00 H new ATOM 29 P DG A 2 -10.747 -11.183 0.128 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.824 -11.116 1.140 1.00 0.00 O ATOM 31 OP2 DG A 2 -10.585 -10.080 -0.845 1.00 0.00 O ATOM 32 O5' DG A 2 -9.348 -11.386 0.899 1.00 0.00 O ATOM 33 C5' DG A 2 -9.091 -12.536 1.682 1.00 0.00 C ATOM 34 C4' DG A 2 -8.161 -12.205 2.860 1.00 0.00 C ATOM 35 O4' DG A 2 -6.838 -12.185 2.347 1.00 0.00 O ATOM 36 C3' DG A 2 -8.437 -10.832 3.482 1.00 0.00 C ATOM 37 O3' DG A 2 -8.122 -10.900 4.865 1.00 0.00 O ATOM 38 C2' DG A 2 -7.447 -9.968 2.710 1.00 0.00 C ATOM 39 C1' DG A 2 -6.254 -10.919 2.589 1.00 0.00 C ATOM 40 N9 DG A 2 -5.379 -10.668 1.412 1.00 0.00 N ATOM 41 C8 DG A 2 -5.737 -10.419 0.105 1.00 0.00 C ATOM 42 N7 DG A 2 -4.729 -10.295 -0.711 1.00 0.00 N ATOM 43 C5 DG A 2 -3.616 -10.486 0.097 1.00 0.00 C ATOM 44 C6 DG A 2 -2.228 -10.450 -0.237 1.00 0.00 C ATOM 45 O6 DG A 2 -1.720 -10.243 -1.335 1.00 0.00 O ATOM 46 N1 DG A 2 -1.409 -10.685 0.863 1.00 0.00 N ATOM 47 C2 DG A 2 -1.873 -10.937 2.140 1.00 0.00 C ATOM 48 N2 DG A 2 -0.954 -11.124 3.094 1.00 0.00 N ATOM 49 N3 DG A 2 -3.179 -10.979 2.453 1.00 0.00 N ATOM 50 C4 DG A 2 -4.001 -10.740 1.393 1.00 0.00 C ATOM 0 H5' DG A 2 -8.637 -13.308 1.062 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.030 -12.941 2.058 1.00 0.00 H new ATOM 0 H4' DG A 2 -8.319 -12.953 3.637 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.462 -10.465 3.422 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.835 -9.668 1.736 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.192 -9.054 3.247 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.641 -10.813 3.484 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.765 -10.334 -0.215 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.400 -10.670 0.717 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.246 -11.313 4.053 1.00 0.00 H new ATOM 0 H22 DG A 2 0.038 -11.077 2.862 1.00 0.00 H new ATOM 62 P DC A 3 -8.187 -9.613 5.844 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.375 -10.102 7.228 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.144 -8.637 5.276 1.00 0.00 O ATOM 65 O5' DC A 3 -6.700 -8.990 5.725 1.00 0.00 O ATOM 66 C5' DC A 3 -5.580 -9.663 6.268 1.00 0.00 C ATOM 67 C4' DC A 3 -4.268 -8.895 6.047 1.00 0.00 C ATOM 68 O4' DC A 3 -3.944 -9.079 4.688 1.00 0.00 O ATOM 69 C3' DC A 3 -4.313 -7.369 6.272 1.00 0.00 C ATOM 70 O3' DC A 3 -3.662 -6.982 7.471 1.00 0.00 O ATOM 71 C2' DC A 3 -3.604 -6.823 5.030 1.00 0.00 C ATOM 72 C1' DC A 3 -3.016 -8.073 4.383 1.00 0.00 C ATOM 73 N1 DC A 3 -2.945 -7.891 2.924 1.00 0.00 N ATOM 74 C2 DC A 3 -1.720 -7.612 2.322 1.00 0.00 C ATOM 75 O2 DC A 3 -0.670 -7.680 2.953 1.00 0.00 O ATOM 76 N3 DC A 3 -1.714 -7.261 1.004 1.00 0.00 N ATOM 77 C4 DC A 3 -2.857 -7.108 0.321 1.00 0.00 C ATOM 78 N4 DC A 3 -2.790 -6.882 -0.994 1.00 0.00 N ATOM 79 C5 DC A 3 -4.123 -7.283 0.974 1.00 0.00 C ATOM 80 C6 DC A 3 -4.107 -7.712 2.238 1.00 0.00 C ATOM 0 H5' DC A 3 -5.499 -10.651 5.815 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.734 -9.814 7.337 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.560 -9.284 6.779 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.327 -6.986 6.391 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.298 -6.313 4.362 1.00 0.00 H new ATOM 0 H2'' DC A 3 -2.829 -6.104 5.293 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.010 -8.300 4.735 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.646 -6.762 -1.535 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.883 -6.829 -1.457 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.052 -7.076 0.463 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.044 -7.923 2.731 1.00 0.00 H new ATOM 92 P DT A 4 -3.943 -5.551 8.187 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.651 -5.720 9.628 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.278 -5.065 7.772 1.00 0.00 O ATOM 95 O5' DT A 4 -2.852 -4.516 7.595 1.00 0.00 O ATOM 96 C5' DT A 4 -2.773 -3.195 8.113 1.00 0.00 C ATOM 97 C4' DT A 4 -1.635 -2.405 7.459 1.00 0.00 C ATOM 98 O4' DT A 4 -1.969 -2.240 6.094 1.00 0.00 O ATOM 99 C3' DT A 4 -1.499 -0.991 8.055 1.00 0.00 C ATOM 100 O3' DT A 4 -0.140 -0.771 8.397 1.00 0.00 O ATOM 101 C2' DT A 4 -1.944 -0.078 6.910 1.00 0.00 C ATOM 102 C1' DT A 4 -1.559 -0.945 5.719 1.00 0.00 C ATOM 103 N1 DT A 4 -2.244 -0.611 4.441 1.00 0.00 N ATOM 104 C2 DT A 4 -1.452 -0.492 3.305 1.00 0.00 C ATOM 105 O2 DT A 4 -0.225 -0.449 3.341 1.00 0.00 O ATOM 106 N3 DT A 4 -2.121 -0.424 2.096 1.00 0.00 N ATOM 107 C4 DT A 4 -3.493 -0.408 1.913 1.00 0.00 C ATOM 108 O4 DT A 4 -3.959 -0.375 0.776 1.00 0.00 O ATOM 109 C5 DT A 4 -4.253 -0.436 3.147 1.00 0.00 C ATOM 110 C7 DT A 4 -5.766 -0.346 3.095 1.00 0.00 C ATOM 111 C6 DT A 4 -3.618 -0.547 4.343 1.00 0.00 C ATOM 0 H5' DT A 4 -2.618 -3.234 9.191 1.00 0.00 H new ATOM 0 H5'' DT A 4 -3.719 -2.680 7.945 1.00 0.00 H new ATOM 0 H4' DT A 4 -0.703 -2.948 7.617 1.00 0.00 H new ATOM 0 H3' DT A 4 -2.084 -0.823 8.959 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.012 0.139 6.940 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.424 0.880 6.914 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.496 -0.813 5.518 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.545 -0.381 1.255 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.192 -0.886 3.941 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.070 0.700 3.142 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.125 -0.787 2.165 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.209 -0.586 5.246 1.00 0.00 H new ATOM 124 P DA A 5 0.355 0.583 9.129 1.00 0.00 P ATOM 125 OP1 DA A 5 1.449 0.222 10.056 1.00 0.00 O ATOM 126 OP2 DA A 5 -0.835 1.295 9.647 1.00 0.00 O ATOM 127 O5' DA A 5 0.973 1.468 7.924 1.00 0.00 O ATOM 128 C5' DA A 5 2.322 1.330 7.520 1.00 0.00 C ATOM 129 C4' DA A 5 2.852 2.374 6.549 1.00 0.00 C ATOM 130 O4' DA A 5 2.228 2.186 5.284 1.00 0.00 O ATOM 131 C3' DA A 5 2.459 3.727 7.126 1.00 0.00 C ATOM 132 O3' DA A 5 3.400 4.738 6.843 1.00 0.00 O ATOM 133 C2' DA A 5 1.210 3.931 6.309 1.00 0.00 C ATOM 134 C1' DA A 5 1.575 3.386 4.932 1.00 0.00 C ATOM 135 N9 DA A 5 0.384 3.031 4.119 1.00 0.00 N ATOM 136 C8 DA A 5 -0.960 3.098 4.416 1.00 0.00 C ATOM 137 N7 DA A 5 -1.749 2.856 3.406 1.00 0.00 N ATOM 138 C5 DA A 5 -0.870 2.566 2.372 1.00 0.00 C ATOM 139 C6 DA A 5 -1.052 2.232 1.015 1.00 0.00 C ATOM 140 N6 DA A 5 -2.251 2.185 0.421 1.00 0.00 N ATOM 141 N1 DA A 5 0.036 1.929 0.286 1.00 0.00 N ATOM 142 C2 DA A 5 1.237 1.970 0.855 1.00 0.00 C ATOM 143 N3 DA A 5 1.541 2.300 2.103 1.00 0.00 N ATOM 144 C4 DA A 5 0.427 2.598 2.819 1.00 0.00 C ATOM 0 H5' DA A 5 2.442 0.348 7.063 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.948 1.345 8.412 1.00 0.00 H new ATOM 0 H4' DA A 5 3.931 2.301 6.416 1.00 0.00 H new ATOM 0 H3' DA A 5 2.366 3.762 8.211 1.00 0.00 H new ATOM 0 H2' DA A 5 0.362 3.397 6.737 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.933 4.984 6.261 1.00 0.00 H new ATOM 0 H1' DA A 5 2.142 4.104 4.339 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.329 3.332 5.404 1.00 0.00 H new ATOM 0 H61 DA A 5 -2.322 1.937 -0.566 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.093 2.398 0.955 1.00 0.00 H new ATOM 0 H2 DA A 5 2.069 1.701 0.222 1.00 0.00 H new ATOM 156 P DG A 6 4.825 4.886 7.613 1.00 0.00 P ATOM 157 OP1 DG A 6 5.721 3.801 7.154 1.00 0.00 O ATOM 158 OP2 DG A 6 4.575 5.090 9.056 1.00 0.00 O ATOM 159 O5' DG A 6 5.356 6.275 6.971 1.00 0.00 O ATOM 160 C5' DG A 6 4.793 6.682 5.745 1.00 0.00 C ATOM 161 C4' DG A 6 5.500 7.732 4.903 1.00 0.00 C ATOM 162 O4' DG A 6 4.558 8.092 3.907 1.00 0.00 O ATOM 163 C3' DG A 6 5.851 8.976 5.701 1.00 0.00 C ATOM 164 O3' DG A 6 7.090 9.425 5.161 1.00 0.00 O ATOM 165 C2' DG A 6 4.566 9.794 5.521 1.00 0.00 C ATOM 166 C1' DG A 6 4.142 9.429 4.100 1.00 0.00 C ATOM 167 N9 DG A 6 2.696 9.506 3.771 1.00 0.00 N ATOM 168 C8 DG A 6 1.588 9.757 4.550 1.00 0.00 C ATOM 169 N7 DG A 6 0.459 9.724 3.897 1.00 0.00 N ATOM 170 C5 DG A 6 0.829 9.392 2.599 1.00 0.00 C ATOM 171 C6 DG A 6 0.025 9.087 1.459 1.00 0.00 C ATOM 172 O6 DG A 6 -1.200 9.113 1.359 1.00 0.00 O ATOM 173 N1 DG A 6 0.793 8.717 0.359 1.00 0.00 N ATOM 174 C2 DG A 6 2.169 8.601 0.360 1.00 0.00 C ATOM 175 N2 DG A 6 2.761 8.222 -0.776 1.00 0.00 N ATOM 176 N3 DG A 6 2.919 8.853 1.439 1.00 0.00 N ATOM 177 C4 DG A 6 2.193 9.248 2.519 1.00 0.00 C ATOM 0 H5' DG A 6 3.790 7.054 5.955 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.680 5.791 5.127 1.00 0.00 H new ATOM 0 H4' DG A 6 6.436 7.334 4.511 1.00 0.00 H new ATOM 0 H3' DG A 6 6.059 8.945 6.770 1.00 0.00 H new ATOM 0 H2' DG A 6 3.806 9.523 6.254 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.747 10.863 5.629 1.00 0.00 H new ATOM 0 H1' DG A 6 4.599 10.174 3.449 1.00 0.00 H new ATOM 0 H8 DG A 6 1.649 9.963 5.608 1.00 0.00 H new ATOM 0 H1 DG A 6 0.303 8.517 -0.513 1.00 0.00 H new ATOM 0 H21 DG A 6 3.776 8.125 -0.815 1.00 0.00 H new ATOM 0 H22 DG A 6 2.198 8.030 -1.605 1.00 0.00 H new ATOM 189 P DC A 7 7.522 10.951 4.849 1.00 0.00 P ATOM 190 OP1 DC A 7 8.999 10.992 4.779 1.00 0.00 O ATOM 191 OP2 DC A 7 6.812 11.875 5.760 1.00 0.00 O ATOM 192 O5' DC A 7 6.954 11.136 3.352 1.00 0.00 O ATOM 193 C5' DC A 7 7.379 10.279 2.303 1.00 0.00 C ATOM 194 C4' DC A 7 6.735 10.652 0.962 1.00 0.00 C ATOM 195 O4' DC A 7 5.321 10.589 1.130 1.00 0.00 O ATOM 196 C3' DC A 7 7.097 12.081 0.526 1.00 0.00 C ATOM 197 O3' DC A 7 7.278 12.090 -0.886 1.00 0.00 O ATOM 198 C2' DC A 7 5.826 12.803 0.965 1.00 0.00 C ATOM 199 C1' DC A 7 4.786 11.765 0.566 1.00 0.00 C ATOM 200 N1 DC A 7 3.387 12.051 1.017 1.00 0.00 N ATOM 201 C2 DC A 7 2.340 11.838 0.108 1.00 0.00 C ATOM 202 O2 DC A 7 2.544 11.475 -1.049 1.00 0.00 O ATOM 203 N3 DC A 7 1.059 12.041 0.523 1.00 0.00 N ATOM 204 C4 DC A 7 0.785 12.476 1.759 1.00 0.00 C ATOM 205 N4 DC A 7 -0.495 12.627 2.115 1.00 0.00 N ATOM 206 C5 DC A 7 1.839 12.761 2.690 1.00 0.00 C ATOM 207 C6 DC A 7 3.107 12.540 2.276 1.00 0.00 C ATOM 0 H5' DC A 7 7.127 9.248 2.552 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.464 10.329 2.211 1.00 0.00 H new ATOM 0 H4' DC A 7 7.097 9.962 0.200 1.00 0.00 H new ATOM 0 H3' DC A 7 8.009 12.517 0.934 1.00 0.00 H new ATOM 0 H2' DC A 7 5.815 13.016 2.034 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.686 13.753 0.450 1.00 0.00 H new ATOM 0 H1' DC A 7 4.642 11.722 -0.514 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.728 12.957 3.051 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.238 12.412 1.450 1.00 0.00 H new ATOM 0 H5 DC A 7 1.628 13.136 3.680 1.00 0.00 H new ATOM 0 H6 DC A 7 3.924 12.752 2.950 1.00 0.00 H new ATOM 219 P DG A 8 7.769 13.397 -1.709 1.00 0.00 P ATOM 220 OP1 DG A 8 9.108 13.105 -2.266 1.00 0.00 O ATOM 221 OP2 DG A 8 7.573 14.599 -0.868 1.00 0.00 O ATOM 222 O5' DG A 8 6.718 13.466 -2.940 1.00 0.00 O ATOM 223 C5' DG A 8 5.323 13.419 -2.710 1.00 0.00 C ATOM 224 C4' DG A 8 4.551 14.561 -3.328 1.00 0.00 C ATOM 225 O4' DG A 8 3.256 14.247 -2.885 1.00 0.00 O ATOM 226 C3' DG A 8 4.821 15.942 -2.745 1.00 0.00 C ATOM 227 O3' DG A 8 5.770 16.659 -3.505 1.00 0.00 O ATOM 228 C2' DG A 8 3.432 16.579 -2.852 1.00 0.00 C ATOM 229 C1' DG A 8 2.489 15.390 -3.082 1.00 0.00 C ATOM 230 N9 DG A 8 1.428 15.313 -2.059 1.00 0.00 N ATOM 231 C8 DG A 8 1.587 15.224 -0.700 1.00 0.00 C ATOM 232 N7 DG A 8 0.470 15.140 -0.036 1.00 0.00 N ATOM 233 C5 DG A 8 -0.505 15.164 -1.026 1.00 0.00 C ATOM 234 C6 DG A 8 -1.925 15.088 -0.914 1.00 0.00 C ATOM 235 O6 DG A 8 -2.597 14.964 0.107 1.00 0.00 O ATOM 236 N1 DG A 8 -2.561 15.172 -2.149 1.00 0.00 N ATOM 237 C2 DG A 8 -1.906 15.285 -3.362 1.00 0.00 C ATOM 238 N2 DG A 8 -2.664 15.323 -4.463 1.00 0.00 N ATOM 239 N3 DG A 8 -0.568 15.348 -3.471 1.00 0.00 N ATOM 240 C4 DG A 8 0.070 15.286 -2.270 1.00 0.00 C ATOM 0 H5' DG A 8 5.144 13.415 -1.635 1.00 0.00 H new ATOM 0 H5'' DG A 8 4.934 12.479 -3.101 1.00 0.00 H new ATOM 0 H4' DG A 8 4.776 14.631 -4.392 1.00 0.00 H new ATOM 0 H3' DG A 8 5.239 15.925 -1.739 1.00 0.00 H new ATOM 0 H2' DG A 8 3.172 17.123 -1.944 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.383 17.291 -3.676 1.00 0.00 H new ATOM 0 HO3' DG A 8 5.915 17.540 -3.100 1.00 0.00 H new ATOM 0 H1' DG A 8 2.040 15.490 -4.070 1.00 0.00 H new ATOM 0 H8 DG A 8 2.555 15.224 -0.222 1.00 0.00 H new ATOM 0 H1 DG A 8 -3.581 15.149 -2.160 1.00 0.00 H new ATOM 0 H21 DG A 8 -2.227 15.406 -5.381 1.00 0.00 H new ATOM 0 H22 DG A 8 -3.680 15.269 -4.385 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -12.304 16.548 -3.001 1.00 0.00 O ATOM 255 C5' DC B 1 -11.661 15.294 -3.082 1.00 0.00 C ATOM 256 C4' DC B 1 -10.486 15.359 -4.066 1.00 0.00 C ATOM 257 O4' DC B 1 -9.536 16.271 -3.536 1.00 0.00 O ATOM 258 C3' DC B 1 -9.802 13.991 -4.202 1.00 0.00 C ATOM 259 O3' DC B 1 -9.727 13.665 -5.577 1.00 0.00 O ATOM 260 C2' DC B 1 -8.432 14.234 -3.578 1.00 0.00 C ATOM 261 C1' DC B 1 -8.237 15.733 -3.698 1.00 0.00 C ATOM 262 N1 DC B 1 -7.360 16.175 -2.582 1.00 0.00 N ATOM 263 C2 DC B 1 -5.978 16.125 -2.776 1.00 0.00 C ATOM 264 O2 DC B 1 -5.499 15.882 -3.882 1.00 0.00 O ATOM 265 N3 DC B 1 -5.163 16.350 -1.706 1.00 0.00 N ATOM 266 C4 DC B 1 -5.665 16.592 -0.486 1.00 0.00 C ATOM 267 N4 DC B 1 -4.817 16.756 0.534 1.00 0.00 N ATOM 268 C5 DC B 1 -7.081 16.598 -0.252 1.00 0.00 C ATOM 269 C6 DC B 1 -7.879 16.377 -1.323 1.00 0.00 C ATOM 0 H5' DC B 1 -12.372 14.534 -3.404 1.00 0.00 H new ATOM 0 H5'' DC B 1 -11.302 14.998 -2.096 1.00 0.00 H new ATOM 0 H4' DC B 1 -10.854 15.666 -5.045 1.00 0.00 H new ATOM 0 H3' DC B 1 -10.316 13.159 -3.721 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.404 13.909 -2.538 1.00 0.00 H new ATOM 0 H2'' DC B 1 -7.650 13.686 -4.104 1.00 0.00 H new ATOM 0 HO5' DC B 1 -11.650 17.262 -3.154 1.00 0.00 H new ATOM 0 H1' DC B 1 -7.782 16.043 -4.639 1.00 0.00 H new ATOM 0 H41 DC B 1 -5.176 16.941 1.471 1.00 0.00 H new ATOM 0 H42 DC B 1 -3.811 16.696 0.376 1.00 0.00 H new ATOM 0 H5 DC B 1 -7.491 16.771 0.732 1.00 0.00 H new ATOM 0 H6 DC B 1 -8.950 16.359 -1.186 1.00 0.00 H new ATOM 282 P DG B 2 -9.159 12.247 -6.097 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.530 12.104 -7.522 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.542 11.195 -5.130 1.00 0.00 O ATOM 285 O5' DG B 2 -7.563 12.450 -6.016 1.00 0.00 O ATOM 286 C5' DG B 2 -6.930 13.580 -6.587 1.00 0.00 C ATOM 287 C4' DG B 2 -5.499 13.247 -7.035 1.00 0.00 C ATOM 288 O4' DG B 2 -4.686 13.282 -5.873 1.00 0.00 O ATOM 289 C3' DG B 2 -5.364 11.852 -7.653 1.00 0.00 C ATOM 290 O3' DG B 2 -4.337 11.903 -8.633 1.00 0.00 O ATOM 291 C2' DG B 2 -4.953 11.038 -6.432 1.00 0.00 C ATOM 292 C1' DG B 2 -4.042 12.033 -5.709 1.00 0.00 C ATOM 293 N9 DG B 2 -3.955 11.834 -4.238 1.00 0.00 N ATOM 294 C8 DG B 2 -4.968 11.608 -3.332 1.00 0.00 C ATOM 295 N7 DG B 2 -4.570 11.526 -2.094 1.00 0.00 N ATOM 296 C5 DG B 2 -3.197 11.718 -2.168 1.00 0.00 C ATOM 297 C6 DG B 2 -2.215 11.713 -1.132 1.00 0.00 C ATOM 298 O6 DG B 2 -2.386 11.573 0.076 1.00 0.00 O ATOM 299 N1 DG B 2 -0.926 11.895 -1.622 1.00 0.00 N ATOM 300 C2 DG B 2 -0.617 12.104 -2.952 1.00 0.00 C ATOM 301 N2 DG B 2 0.677 12.228 -3.263 1.00 0.00 N ATOM 302 N3 DG B 2 -1.545 12.144 -3.922 1.00 0.00 N ATOM 303 C4 DG B 2 -2.812 11.930 -3.472 1.00 0.00 C ATOM 0 H5' DG B 2 -6.907 14.393 -5.861 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.509 13.932 -7.441 1.00 0.00 H new ATOM 0 H4' DG B 2 -5.207 13.969 -7.798 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.245 11.450 -8.154 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.809 10.746 -5.824 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.429 10.122 -6.705 1.00 0.00 H new ATOM 0 H1' DG B 2 -3.036 11.933 -6.116 1.00 0.00 H new ATOM 0 H8 DG B 2 -6.003 11.507 -3.623 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.156 11.873 -0.953 1.00 0.00 H new ATOM 0 H21 DG B 2 0.956 12.384 -4.232 1.00 0.00 H new ATOM 0 H22 DG B 2 1.385 12.167 -2.532 1.00 0.00 H new ATOM 315 P DC B 3 -3.812 10.594 -9.427 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.217 11.044 -10.705 1.00 0.00 O ATOM 317 OP2 DC B 3 -4.895 9.585 -9.441 1.00 0.00 O ATOM 318 O5' DC B 3 -2.622 10.044 -8.481 1.00 0.00 O ATOM 319 C5' DC B 3 -1.407 10.759 -8.344 1.00 0.00 C ATOM 320 C4' DC B 3 -0.419 10.059 -7.399 1.00 0.00 C ATOM 321 O4' DC B 3 -0.928 10.253 -6.100 1.00 0.00 O ATOM 322 C3' DC B 3 -0.267 8.533 -7.569 1.00 0.00 C ATOM 323 O3' DC B 3 0.959 8.177 -8.183 1.00 0.00 O ATOM 324 C2' DC B 3 -0.363 8.019 -6.131 1.00 0.00 C ATOM 325 C1' DC B 3 -0.293 9.292 -5.299 1.00 0.00 C ATOM 326 N1 DC B 3 -1.047 9.091 -4.051 1.00 0.00 N ATOM 327 C2 DC B 3 -0.360 8.805 -2.874 1.00 0.00 C ATOM 328 O2 DC B 3 0.864 8.878 -2.814 1.00 0.00 O ATOM 329 N3 DC B 3 -1.085 8.439 -1.780 1.00 0.00 N ATOM 330 C4 DC B 3 -2.413 8.276 -1.846 1.00 0.00 C ATOM 331 N4 DC B 3 -3.079 8.061 -0.708 1.00 0.00 N ATOM 332 C5 DC B 3 -3.102 8.435 -3.094 1.00 0.00 C ATOM 333 C6 DC B 3 -2.390 8.880 -4.133 1.00 0.00 C ATOM 0 H5' DC B 3 -1.618 11.760 -7.968 1.00 0.00 H new ATOM 0 H5'' DC B 3 -0.946 10.878 -9.324 1.00 0.00 H new ATOM 0 H4' DC B 3 0.561 10.487 -7.612 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.021 8.103 -8.229 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.293 7.477 -5.959 1.00 0.00 H new ATOM 0 H2'' DC B 3 0.453 7.337 -5.892 1.00 0.00 H new ATOM 0 H1' DC B 3 0.722 9.581 -5.028 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.091 7.933 -0.726 1.00 0.00 H new ATOM 0 H42 DC B 3 -2.576 8.025 0.178 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.153 8.205 -3.190 1.00 0.00 H new ATOM 0 H6 DC B 3 -2.895 9.079 -5.067 1.00 0.00 H new ATOM 345 P DT B 4 1.214 6.697 -8.802 1.00 0.00 P ATOM 346 OP1 DT B 4 2.243 6.835 -9.855 1.00 0.00 O ATOM 347 OP2 DT B 4 -0.094 6.092 -9.141 1.00 0.00 O ATOM 348 O5' DT B 4 1.856 5.817 -7.609 1.00 0.00 O ATOM 349 C5' DT B 4 2.350 4.514 -7.875 1.00 0.00 C ATOM 350 C4' DT B 4 2.920 3.867 -6.609 1.00 0.00 C ATOM 351 O4' DT B 4 1.842 3.653 -5.719 1.00 0.00 O ATOM 352 C3' DT B 4 3.532 2.485 -6.902 1.00 0.00 C ATOM 353 O3' DT B 4 4.856 2.461 -6.394 1.00 0.00 O ATOM 354 C2' DT B 4 2.617 1.519 -6.147 1.00 0.00 C ATOM 355 C1' DT B 4 2.089 2.437 -5.051 1.00 0.00 C ATOM 356 N1 DT B 4 0.807 2.005 -4.434 1.00 0.00 N ATOM 357 C2 DT B 4 0.745 1.955 -3.045 1.00 0.00 C ATOM 358 O2 DT B 4 1.731 2.059 -2.321 1.00 0.00 O ATOM 359 N3 DT B 4 -0.514 1.778 -2.495 1.00 0.00 N ATOM 360 C4 DT B 4 -1.700 1.614 -3.187 1.00 0.00 C ATOM 361 O4 DT B 4 -2.755 1.495 -2.568 1.00 0.00 O ATOM 362 C5 DT B 4 -1.545 1.603 -4.630 1.00 0.00 C ATOM 363 C7 DT B 4 -2.762 1.384 -5.508 1.00 0.00 C ATOM 364 C6 DT B 4 -0.325 1.800 -5.194 1.00 0.00 C ATOM 0 H5' DT B 4 3.124 4.565 -8.640 1.00 0.00 H new ATOM 0 H5'' DT B 4 1.548 3.893 -8.274 1.00 0.00 H new ATOM 0 H4' DT B 4 3.691 4.522 -6.204 1.00 0.00 H new ATOM 0 H3' DT B 4 3.595 2.232 -7.960 1.00 0.00 H new ATOM 0 H2' DT B 4 1.820 1.125 -6.777 1.00 0.00 H new ATOM 0 H2'' DT B 4 3.159 0.663 -5.745 1.00 0.00 H new ATOM 0 H1' DT B 4 2.812 2.468 -4.236 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.572 1.768 -1.477 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.625 1.903 -6.457 1.00 0.00 H new ATOM 0 H72 DT B 4 -2.890 0.317 -5.693 1.00 0.00 H new ATOM 0 H73 DT B 4 -3.648 1.774 -5.006 1.00 0.00 H new ATOM 0 H6 DT B 4 -0.239 1.796 -6.271 1.00 0.00 H new ATOM 377 P DA B 5 5.865 1.230 -6.675 1.00 0.00 P ATOM 378 OP1 DA B 5 7.247 1.758 -6.622 1.00 0.00 O ATOM 379 OP2 DA B 5 5.404 0.515 -7.886 1.00 0.00 O ATOM 380 O5' DA B 5 5.647 0.249 -5.409 1.00 0.00 O ATOM 381 C5' DA B 5 6.292 0.473 -4.167 1.00 0.00 C ATOM 382 C4' DA B 5 6.176 -0.629 -3.108 1.00 0.00 C ATOM 383 O4' DA B 5 4.933 -0.475 -2.395 1.00 0.00 O ATOM 384 C3' DA B 5 6.212 -1.960 -3.856 1.00 0.00 C ATOM 385 O3' DA B 5 6.875 -2.989 -3.161 1.00 0.00 O ATOM 386 C2' DA B 5 4.711 -2.157 -3.860 1.00 0.00 C ATOM 387 C1' DA B 5 4.145 -1.647 -2.566 1.00 0.00 C ATOM 388 N9 DA B 5 2.682 -1.351 -2.593 1.00 0.00 N ATOM 389 C8 DA B 5 1.765 -1.369 -3.630 1.00 0.00 C ATOM 390 N7 DA B 5 0.524 -1.229 -3.259 1.00 0.00 N ATOM 391 C5 DA B 5 0.606 -1.149 -1.878 1.00 0.00 C ATOM 392 C6 DA B 5 -0.372 -1.086 -0.868 1.00 0.00 C ATOM 393 N6 DA B 5 -1.683 -1.005 -1.128 1.00 0.00 N ATOM 394 N1 DA B 5 0.035 -1.141 0.413 1.00 0.00 N ATOM 395 C2 DA B 5 1.337 -1.214 0.680 1.00 0.00 C ATOM 396 N3 DA B 5 2.350 -1.248 -0.176 1.00 0.00 N ATOM 397 C4 DA B 5 1.911 -1.223 -1.463 1.00 0.00 C ATOM 0 H5' DA B 5 5.894 1.394 -3.741 1.00 0.00 H new ATOM 0 H5'' DA B 5 7.351 0.644 -4.362 1.00 0.00 H new ATOM 0 H4' DA B 5 6.986 -0.580 -2.380 1.00 0.00 H new ATOM 0 H3' DA B 5 6.741 -1.970 -4.809 1.00 0.00 H new ATOM 0 H2' DA B 5 4.264 -1.626 -4.701 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.471 -3.213 -3.985 1.00 0.00 H new ATOM 0 H1' DA B 5 4.197 -2.375 -1.756 1.00 0.00 H new ATOM 0 H8 DA B 5 2.055 -1.489 -4.663 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.353 -0.962 -0.360 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.011 -0.987 -2.094 1.00 0.00 H new ATOM 0 H2 DA B 5 1.602 -1.250 1.726 1.00 0.00 H new ATOM 409 P DG B 6 8.467 -3.294 -3.342 1.00 0.00 P ATOM 410 OP1 DG B 6 9.220 -2.234 -2.635 1.00 0.00 O ATOM 411 OP2 DG B 6 8.736 -3.570 -4.770 1.00 0.00 O ATOM 412 O5' DG B 6 8.624 -4.681 -2.514 1.00 0.00 O ATOM 413 C5' DG B 6 7.476 -5.181 -1.871 1.00 0.00 C ATOM 414 C4' DG B 6 7.528 -6.343 -0.901 1.00 0.00 C ATOM 415 O4' DG B 6 6.182 -6.709 -0.663 1.00 0.00 O ATOM 416 C3' DG B 6 8.258 -7.525 -1.505 1.00 0.00 C ATOM 417 O3' DG B 6 9.038 -8.072 -0.447 1.00 0.00 O ATOM 418 C2' DG B 6 7.079 -8.302 -2.109 1.00 0.00 C ATOM 419 C1' DG B 6 5.950 -8.026 -1.116 1.00 0.00 C ATOM 420 N9 DG B 6 4.552 -8.039 -1.619 1.00 0.00 N ATOM 421 C8 DG B 6 4.039 -8.107 -2.892 1.00 0.00 C ATOM 422 N7 DG B 6 2.737 -8.071 -2.951 1.00 0.00 N ATOM 423 C5 DG B 6 2.346 -7.935 -1.625 1.00 0.00 C ATOM 424 C6 DG B 6 1.047 -7.768 -1.056 1.00 0.00 C ATOM 425 O6 DG B 6 -0.034 -7.710 -1.637 1.00 0.00 O ATOM 426 N1 DG B 6 1.089 -7.663 0.333 1.00 0.00 N ATOM 427 C2 DG B 6 2.250 -7.667 1.083 1.00 0.00 C ATOM 428 N2 DG B 6 2.142 -7.573 2.412 1.00 0.00 N ATOM 429 N3 DG B 6 3.468 -7.775 0.542 1.00 0.00 N ATOM 430 C4 DG B 6 3.450 -7.911 -0.809 1.00 0.00 C ATOM 0 H5' DG B 6 6.776 -5.462 -2.657 1.00 0.00 H new ATOM 0 H5'' DG B 6 7.031 -4.345 -1.332 1.00 0.00 H new ATOM 0 H4' DG B 6 8.055 -6.059 0.010 1.00 0.00 H new ATOM 0 H3' DG B 6 8.999 -7.409 -2.296 1.00 0.00 H new ATOM 0 H2' DG B 6 6.832 -7.949 -3.111 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.295 -9.367 -2.190 1.00 0.00 H new ATOM 0 H1' DG B 6 5.991 -8.837 -0.388 1.00 0.00 H new ATOM 0 H8 DG B 6 4.662 -8.184 -3.771 1.00 0.00 H new ATOM 0 H1 DG B 6 0.202 -7.577 0.830 1.00 0.00 H new ATOM 0 H21 DG B 6 2.980 -7.573 2.993 1.00 0.00 H new ATOM 0 H22 DG B 6 1.221 -7.501 2.845 1.00 0.00 H new ATOM 442 P DC B 7 9.246 -9.638 -0.108 1.00 0.00 P ATOM 443 OP1 DC B 7 10.444 -9.754 0.753 1.00 0.00 O ATOM 444 OP2 DC B 7 9.164 -10.439 -1.349 1.00 0.00 O ATOM 445 O5' DC B 7 7.952 -9.937 0.807 1.00 0.00 O ATOM 446 C5' DC B 7 7.720 -9.201 1.998 1.00 0.00 C ATOM 447 C4' DC B 7 6.476 -9.699 2.743 1.00 0.00 C ATOM 448 O4' DC B 7 5.358 -9.564 1.869 1.00 0.00 O ATOM 449 C3' DC B 7 6.598 -11.182 3.128 1.00 0.00 C ATOM 450 O3' DC B 7 6.039 -11.357 4.424 1.00 0.00 O ATOM 451 C2' DC B 7 5.744 -11.794 2.020 1.00 0.00 C ATOM 452 C1' DC B 7 4.626 -10.765 1.943 1.00 0.00 C ATOM 453 N1 DC B 7 3.667 -10.948 0.806 1.00 0.00 N ATOM 454 C2 DC B 7 2.294 -10.826 1.066 1.00 0.00 C ATOM 455 O2 DC B 7 1.857 -10.668 2.204 1.00 0.00 O ATOM 456 N3 DC B 7 1.419 -10.886 0.022 1.00 0.00 N ATOM 457 C4 DC B 7 1.842 -11.109 -1.229 1.00 0.00 C ATOM 458 N4 DC B 7 0.943 -11.132 -2.217 1.00 0.00 N ATOM 459 C5 DC B 7 3.233 -11.315 -1.512 1.00 0.00 C ATOM 460 C6 DC B 7 4.095 -11.231 -0.473 1.00 0.00 C ATOM 0 H5' DC B 7 7.600 -8.145 1.755 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.590 -9.281 2.650 1.00 0.00 H new ATOM 0 H4' DC B 7 6.362 -9.113 3.655 1.00 0.00 H new ATOM 0 H3' DC B 7 7.599 -11.610 3.191 1.00 0.00 H new ATOM 0 H2' DC B 7 6.288 -11.889 1.080 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.378 -12.788 2.278 1.00 0.00 H new ATOM 0 H1' DC B 7 3.942 -10.825 2.789 1.00 0.00 H new ATOM 0 H41 DC B 7 1.244 -11.300 -3.177 1.00 0.00 H new ATOM 0 H42 DC B 7 -0.045 -10.981 -2.011 1.00 0.00 H new ATOM 0 H5 DC B 7 3.578 -11.528 -2.513 1.00 0.00 H new ATOM 0 H6 DC B 7 5.148 -11.390 -0.651 1.00 0.00 H new ATOM 472 P DG B 8 6.089 -12.765 5.228 1.00 0.00 P ATOM 473 OP1 DG B 8 6.974 -12.589 6.400 1.00 0.00 O ATOM 474 OP2 DG B 8 6.356 -13.858 4.266 1.00 0.00 O ATOM 475 O5' DG B 8 4.570 -12.925 5.763 1.00 0.00 O ATOM 476 C5' DG B 8 3.473 -12.741 4.890 1.00 0.00 C ATOM 477 C4' DG B 8 2.454 -13.854 4.926 1.00 0.00 C ATOM 478 O4' DG B 8 1.581 -13.406 3.922 1.00 0.00 O ATOM 479 C3' DG B 8 2.933 -15.213 4.432 1.00 0.00 C ATOM 480 O3' DG B 8 3.330 -16.052 5.496 1.00 0.00 O ATOM 481 C2' DG B 8 1.666 -15.739 3.754 1.00 0.00 C ATOM 482 C1' DG B 8 0.786 -14.492 3.579 1.00 0.00 C ATOM 483 N9 DG B 8 0.422 -14.262 2.167 1.00 0.00 N ATOM 484 C8 DG B 8 1.272 -14.116 1.101 1.00 0.00 C ATOM 485 N7 DG B 8 0.671 -13.926 -0.038 1.00 0.00 N ATOM 486 C5 DG B 8 -0.679 -13.933 0.296 1.00 0.00 C ATOM 487 C6 DG B 8 -1.827 -13.770 -0.535 1.00 0.00 C ATOM 488 O6 DG B 8 -1.862 -13.558 -1.744 1.00 0.00 O ATOM 489 N1 DG B 8 -3.017 -13.879 0.179 1.00 0.00 N ATOM 490 C2 DG B 8 -3.097 -14.085 1.544 1.00 0.00 C ATOM 491 N2 DG B 8 -4.320 -14.142 2.081 1.00 0.00 N ATOM 492 N3 DG B 8 -2.017 -14.228 2.330 1.00 0.00 N ATOM 493 C4 DG B 8 -0.843 -14.147 1.645 1.00 0.00 C ATOM 0 H5' DG B 8 3.848 -12.641 3.871 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.978 -11.803 5.141 1.00 0.00 H new ATOM 0 H4' DG B 8 2.102 -14.012 5.945 1.00 0.00 H new ATOM 0 H3' DG B 8 3.810 -15.166 3.786 1.00 0.00 H new ATOM 0 H2' DG B 8 1.892 -16.205 2.795 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.171 -16.493 4.366 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.629 -16.914 5.139 1.00 0.00 H new ATOM 0 H1' DG B 8 -0.116 -14.619 4.177 1.00 0.00 H new ATOM 0 H8 DG B 8 2.347 -14.155 1.198 1.00 0.00 H new ATOM 0 H1 DG B 8 -3.891 -13.801 -0.341 1.00 0.00 H new ATOM 0 H21 DG B 8 -4.430 -14.292 3.084 1.00 0.00 H new ATOM 0 H22 DG B 8 -5.143 -14.035 1.488 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.494 -3.599 4.192 1.00 0.00 C HETATM 508 C2 TOT A 9 -5.891 -3.697 4.234 1.00 0.00 C HETATM 509 C3 TOT A 9 -6.606 -3.847 3.039 1.00 0.00 C HETATM 510 C4 TOT A 9 -5.922 -3.868 1.813 1.00 0.00 C HETATM 511 N5 TOT A 9 -3.712 -3.786 0.624 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.225 -3.650 -0.760 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.412 -3.916 0.999 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.352 -4.153 0.006 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.147 -3.790 2.624 1.00 0.00 S HETATM 516 C10 TOT A 9 -3.805 -3.705 2.963 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.510 -3.797 1.758 1.00 0.00 C HETATM 518 C12 TOT A 9 2.331 -4.527 -0.837 1.00 0.00 C HETATM 519 C13 TOT A 9 3.176 -4.771 -1.944 1.00 0.00 C HETATM 520 C14 TOT A 9 2.613 -5.004 -3.195 1.00 0.00 C HETATM 521 C15 TOT A 9 1.290 -4.645 -3.442 1.00 0.00 C HETATM 522 C16 TOT A 9 0.440 -4.341 -2.366 1.00 0.00 C HETATM 523 C17 TOT A 9 0.920 -4.409 -1.033 1.00 0.00 C HETATM 524 C18 TOT A 9 0.053 -4.370 0.107 1.00 0.00 C HETATM 525 C19 TOT A 9 0.646 -4.568 1.367 1.00 0.00 C HETATM 526 C20 TOT A 9 2.023 -4.498 1.519 1.00 0.00 C HETATM 527 N21 TOT A 9 2.851 -4.429 0.453 1.00 0.00 N HETATM 528 C22 TOT A 9 4.248 -4.313 0.908 1.00 0.00 C HETATM 529 C23 TOT A 9 5.187 -3.191 0.469 1.00 0.00 C HETATM 530 C24 TOT A 9 6.399 -3.166 1.431 1.00 0.00 C HETATM 531 N25 TOT A 9 7.242 -1.937 1.401 1.00 0.00 N HETATM 532 C26 TOT A 9 6.391 -0.742 1.687 1.00 0.00 C HETATM 533 C27 TOT A 9 7.146 0.510 2.168 1.00 0.00 C HETATM 534 C28 TOT A 9 7.905 -1.817 0.084 1.00 0.00 C HETATM 535 C29 TOT A 9 8.298 -2.105 2.433 1.00 0.00 C HETATM 536 C31 TOT A 9 -1.438 4.777 -5.878 1.00 0.00 C HETATM 537 C32 TOT A 9 -2.567 4.798 -6.707 1.00 0.00 C HETATM 538 C33 TOT A 9 -3.839 4.919 -6.134 1.00 0.00 C HETATM 539 C34 TOT A 9 -3.975 4.963 -4.738 1.00 0.00 C HETATM 540 N35 TOT A 9 -2.830 4.947 -2.500 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.033 4.791 -1.642 1.00 0.00 C HETATM 542 C37 TOT A 9 -1.547 5.094 -2.071 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.242 5.216 -0.639 1.00 0.00 C HETATM 544 S39 TOT A 9 -0.409 5.124 -3.265 1.00 0.00 S HETATM 545 C40 TOT A 9 -1.576 4.928 -4.479 1.00 0.00 C HETATM 546 C41 TOT A 9 -2.844 4.962 -3.887 1.00 0.00 C HETATM 547 C42 TOT A 9 1.210 5.819 2.164 1.00 0.00 C HETATM 548 C43 TOT A 9 1.264 6.445 3.420 1.00 0.00 C HETATM 549 C44 TOT A 9 0.110 6.634 4.173 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.125 6.294 3.617 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.210 5.896 2.267 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.033 5.664 1.501 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.038 5.280 0.120 1.00 0.00 C HETATM 554 C49 TOT A 9 1.205 4.956 -0.474 1.00 0.00 C HETATM 555 C50 TOT A 9 2.389 4.975 0.272 1.00 0.00 C HETATM 556 N51 TOT A 9 2.382 5.365 1.579 1.00 0.00 N HETATM 557 C52 TOT A 9 3.680 5.280 2.280 1.00 0.00 C HETATM 558 C53 TOT A 9 4.534 4.036 1.993 1.00 0.00 C HETATM 559 C54 TOT A 9 5.618 3.933 3.071 1.00 0.00 C HETATM 560 N55 TOT A 9 6.714 2.960 2.786 1.00 0.00 N HETATM 561 C56 TOT A 9 6.133 1.655 2.352 1.00 0.00 C HETATM 562 C58 TOT A 9 7.483 2.810 4.049 1.00 0.00 C HETATM 563 C59 TOT A 9 7.620 3.511 1.744 1.00 0.00 C HETATM 0 H593 TOT A 9 7.055 3.694 0.830 1.00 0.00 H new HETATM 0 H592 TOT A 9 8.053 4.447 2.096 1.00 0.00 H new HETATM 0 H591 TOT A 9 8.418 2.796 1.541 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.888 3.778 4.345 1.00 0.00 H new HETATM 0 H582 TOT A 9 6.825 2.437 4.834 1.00 0.00 H new HETATM 0 H581 TOT A 9 8.301 2.106 3.896 1.00 0.00 H new HETATM 0 H562 TOT A 9 5.606 1.806 1.410 1.00 0.00 H new HETATM 0 H561 TOT A 9 5.390 1.345 3.087 1.00 0.00 H new HETATM 0 H542 TOT A 9 6.059 4.919 3.214 1.00 0.00 H new HETATM 0 H541 TOT A 9 5.145 3.656 4.013 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.912 3.141 1.994 1.00 0.00 H new HETATM 0 H531 TOT A 9 4.988 4.108 1.005 1.00 0.00 H new HETATM 0 H522 TOT A 9 4.265 6.163 2.022 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.492 5.325 3.353 1.00 0.00 H new HETATM 0 H363 TOT A 9 -3.927 3.899 -1.025 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.138 5.665 -1.000 1.00 0.00 H new HETATM 0 H361 TOT A 9 -4.918 4.694 -2.271 1.00 0.00 H new HETATM 0 H293 TOT A 9 7.834 -2.228 3.412 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.896 -2.986 2.201 1.00 0.00 H new HETATM 0 H291 TOT A 9 8.939 -1.224 2.444 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.535 -2.690 -0.087 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.150 -1.755 -0.699 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.520 -0.917 0.067 1.00 0.00 H new HETATM 0 H272 TOT A 9 7.659 0.305 3.107 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.909 0.793 1.443 1.00 0.00 H new HETATM 0 H262 TOT A 9 5.838 -0.487 0.783 1.00 0.00 H new HETATM 0 H261 TOT A 9 5.655 -1.014 2.444 1.00 0.00 H new HETATM 0 H242 TOT A 9 6.031 -3.304 2.448 1.00 0.00 H new HETATM 0 H241 TOT A 9 7.034 -4.022 1.203 1.00 0.00 H new HETATM 0 H232 TOT A 9 5.520 -3.354 -0.556 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.668 -2.233 0.487 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.214 -4.276 1.997 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.738 -5.248 0.636 1.00 0.00 H new HETATM 0 H8 TOT A 9 -1.718 -4.165 -1.021 1.00 0.00 H new HETATM 0 H63 TOT A 9 -3.800 -2.758 -1.220 1.00 0.00 H new HETATM 0 H62 TOT A 9 -3.942 -4.528 -1.341 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.311 -3.564 -0.739 1.00 0.00 H new HETATM 0 H50 TOT A 9 3.326 4.675 -0.196 1.00 0.00 H new HETATM 0 H49 TOT A 9 1.241 4.687 -1.530 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.188 5.764 1.805 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.026 6.336 4.229 1.00 0.00 H new HETATM 0 H44 TOT A 9 0.169 7.042 5.182 1.00 0.00 H new HETATM 0 H43 TOT A 9 2.223 6.787 3.810 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.490 -3.940 0.885 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.137 5.269 -0.019 1.00 0.00 H new HETATM 0 H34 TOT A 9 -4.972 4.999 -4.300 1.00 0.00 H new HETATM 0 H33 TOT A 9 -4.722 4.979 -6.771 1.00 0.00 H new HETATM 0 H32 TOT A 9 -2.456 4.721 -7.789 1.00 0.00 H new HETATM 0 H31 TOT A 9 -0.448 4.644 -6.314 1.00 0.00 H new HETATM 0 H3 TOT A 9 -7.691 -3.947 3.061 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.448 -4.499 2.523 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.417 -3.657 5.188 1.00 0.00 H new HETATM 0 H19 TOT A 9 0.017 -4.778 2.232 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.593 -4.051 -2.556 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.916 -4.600 -4.465 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.208 -5.468 -3.982 1.00 0.00 H new HETATM 0 H13 TOT A 9 4.259 -4.777 -1.819 1.00 0.00 H new HETATM 0 H1 TOT A 9 -3.935 -3.440 5.114 1.00 0.00 H new