USER MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 196 hydrogens (14 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 NoAdj-H: B 1 PSO H3 : B 1 PSO C3 : B 12 DT C6 :(H bumps) USER MOD Single : A 1 DG O5' : rot 27:sc= 0.0602 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.6 (180deg=-1.6) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.443 USER MOD Single : B 9 DG O5' : rot 33:sc= 0.662 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.66 (180deg=-1.66) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.814 -10.874 8.855 1.00 0.00 O ATOM 2 C5' DG A 1 -0.732 -11.211 9.694 1.00 0.00 C ATOM 3 C4' DG A 1 0.593 -10.898 8.993 1.00 0.00 C ATOM 4 O4' DG A 1 0.602 -11.510 7.709 1.00 0.00 O ATOM 5 C3' DG A 1 0.814 -9.392 8.789 1.00 0.00 C ATOM 6 O3' DG A 1 2.173 -9.122 9.082 1.00 0.00 O ATOM 7 C2' DG A 1 0.465 -9.221 7.313 1.00 0.00 C ATOM 8 C1' DG A 1 0.946 -10.545 6.730 1.00 0.00 C ATOM 9 N9 DG A 1 0.295 -10.882 5.443 1.00 0.00 N ATOM 10 C8 DG A 1 -1.045 -10.972 5.166 1.00 0.00 C ATOM 11 N7 DG A 1 -1.319 -11.339 3.947 1.00 0.00 N ATOM 12 C5 DG A 1 -0.067 -11.521 3.367 1.00 0.00 C ATOM 13 C6 DG A 1 0.288 -11.903 2.038 1.00 0.00 C ATOM 14 O6 DG A 1 -0.458 -12.204 1.110 1.00 0.00 O ATOM 15 N1 DG A 1 1.658 -11.916 1.829 1.00 0.00 N ATOM 16 C2 DG A 1 2.586 -11.632 2.801 1.00 0.00 C ATOM 17 N2 DG A 1 3.874 -11.665 2.480 1.00 0.00 N ATOM 18 N3 DG A 1 2.268 -11.277 4.051 1.00 0.00 N ATOM 19 C4 DG A 1 0.927 -11.238 4.272 1.00 0.00 C ATOM 0 H5' DG A 1 -0.776 -12.270 9.950 1.00 0.00 H new ATOM 0 H5'' DG A 1 -0.799 -10.654 10.629 1.00 0.00 H new ATOM 0 H4' DG A 1 1.386 -11.282 9.634 1.00 0.00 H new ATOM 0 H3' DG A 1 0.229 -8.717 9.414 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.603 -9.069 7.159 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.975 -8.367 6.867 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.532 -10.932 7.918 1.00 0.00 H new ATOM 0 H1' DG A 1 2.013 -10.502 6.511 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.809 -10.756 5.898 1.00 0.00 H new ATOM 0 H1 DG A 1 1.998 -12.151 0.896 1.00 0.00 H new ATOM 0 H21 DG A 1 4.581 -11.458 3.185 1.00 0.00 H new ATOM 0 H22 DG A 1 4.156 -11.898 1.528 1.00 0.00 H new ATOM 32 P DC A 2 2.830 -7.654 8.963 1.00 0.00 P ATOM 33 OP1 DC A 2 3.723 -7.456 10.124 1.00 0.00 O ATOM 34 OP2 DC A 2 1.757 -6.675 8.683 1.00 0.00 O ATOM 35 O5' DC A 2 3.731 -7.810 7.638 1.00 0.00 O ATOM 36 C5' DC A 2 4.799 -8.737 7.608 1.00 0.00 C ATOM 37 C4' DC A 2 5.582 -8.640 6.296 1.00 0.00 C ATOM 38 O4' DC A 2 4.785 -9.047 5.202 1.00 0.00 O ATOM 39 C3' DC A 2 6.066 -7.216 6.011 1.00 0.00 C ATOM 40 O3' DC A 2 7.435 -7.346 5.682 1.00 0.00 O ATOM 41 C2' DC A 2 5.150 -6.749 4.869 1.00 0.00 C ATOM 42 C1' DC A 2 4.811 -8.065 4.181 1.00 0.00 C ATOM 43 N1 DC A 2 3.465 -8.072 3.549 1.00 0.00 N ATOM 44 C2 DC A 2 3.338 -8.458 2.220 1.00 0.00 C ATOM 45 O2 DC A 2 4.331 -8.621 1.518 1.00 0.00 O ATOM 46 N3 DC A 2 2.096 -8.659 1.688 1.00 0.00 N ATOM 47 C4 DC A 2 1.010 -8.436 2.439 1.00 0.00 C ATOM 48 N4 DC A 2 -0.174 -8.783 1.948 1.00 0.00 N ATOM 49 C5 DC A 2 1.106 -8.018 3.802 1.00 0.00 C ATOM 50 C6 DC A 2 2.348 -7.865 4.312 1.00 0.00 C ATOM 0 H5' DC A 2 4.410 -9.748 7.728 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.468 -8.552 8.448 1.00 0.00 H new ATOM 0 H4' DC A 2 6.444 -9.297 6.413 1.00 0.00 H new ATOM 0 H3' DC A 2 6.009 -6.484 6.816 1.00 0.00 H new ATOM 0 H2' DC A 2 4.260 -6.241 5.241 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.656 -6.055 4.197 1.00 0.00 H new ATOM 0 H1' DC A 2 5.547 -8.240 3.396 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.020 -8.626 2.496 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.238 -9.207 1.022 1.00 0.00 H new ATOM 0 H5 DC A 2 0.225 -7.833 4.398 1.00 0.00 H new ATOM 0 H6 DC A 2 2.462 -7.573 5.345 1.00 0.00 H new ATOM 62 P DG A 3 8.408 -6.084 5.515 1.00 0.00 P ATOM 63 OP1 DG A 3 9.803 -6.571 5.498 1.00 0.00 O ATOM 64 OP2 DG A 3 7.997 -5.042 6.481 1.00 0.00 O ATOM 65 O5' DG A 3 8.003 -5.605 4.045 1.00 0.00 O ATOM 66 C5' DG A 3 8.285 -6.398 2.911 1.00 0.00 C ATOM 67 C4' DG A 3 7.709 -5.724 1.666 1.00 0.00 C ATOM 68 O4' DG A 3 6.359 -6.011 1.408 1.00 0.00 O ATOM 69 C3' DG A 3 7.803 -4.202 1.732 1.00 0.00 C ATOM 70 O3' DG A 3 8.188 -3.743 0.472 1.00 0.00 O ATOM 71 C2' DG A 3 6.366 -3.844 2.031 1.00 0.00 C ATOM 72 C1' DG A 3 5.731 -4.800 1.035 1.00 0.00 C ATOM 73 N9 DG A 3 4.308 -5.035 1.127 1.00 0.00 N ATOM 74 C8 DG A 3 3.578 -4.937 2.241 1.00 0.00 C ATOM 75 N7 DG A 3 2.349 -5.344 2.136 1.00 0.00 N ATOM 76 C5 DG A 3 2.262 -5.687 0.784 1.00 0.00 C ATOM 77 C6 DG A 3 1.153 -6.102 -0.002 1.00 0.00 C ATOM 78 O6 DG A 3 0.036 -6.425 0.384 1.00 0.00 O ATOM 79 N1 DG A 3 1.438 -6.121 -1.357 1.00 0.00 N ATOM 80 C2 DG A 3 2.680 -5.888 -1.896 1.00 0.00 C ATOM 81 N2 DG A 3 2.832 -5.965 -3.212 1.00 0.00 N ATOM 82 N3 DG A 3 3.759 -5.615 -1.161 1.00 0.00 N ATOM 83 C4 DG A 3 3.467 -5.494 0.157 1.00 0.00 C ATOM 0 H5' DG A 3 7.855 -7.392 3.032 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.362 -6.528 2.803 1.00 0.00 H new ATOM 0 H4' DG A 3 8.327 -6.139 0.870 1.00 0.00 H new ATOM 0 H3' DG A 3 8.510 -3.788 2.451 1.00 0.00 H new ATOM 0 H2' DG A 3 6.078 -4.044 3.063 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.133 -2.798 1.832 1.00 0.00 H new ATOM 0 H1' DG A 3 5.857 -4.401 0.029 1.00 0.00 H new ATOM 0 H8 DG A 3 3.981 -4.547 3.164 1.00 0.00 H new ATOM 0 H1 DG A 3 0.672 -6.322 -2.000 1.00 0.00 H new ATOM 0 H21 DG A 3 3.747 -5.795 -3.631 1.00 0.00 H new ATOM 0 H22 DG A 3 2.034 -6.194 -3.805 1.00 0.00 H new ATOM 95 P DT A 4 9.689 -3.816 -0.064 1.00 0.00 P ATOM 96 OP1 DT A 4 9.805 -4.978 -0.970 1.00 0.00 O ATOM 97 OP2 DT A 4 10.600 -3.666 1.090 1.00 0.00 O ATOM 98 O5' DT A 4 9.657 -2.457 -0.899 1.00 0.00 O ATOM 99 C5' DT A 4 8.520 -2.104 -1.663 1.00 0.00 C ATOM 100 C4' DT A 4 7.383 -1.417 -0.864 1.00 0.00 C ATOM 101 O4' DT A 4 6.229 -2.251 -0.718 1.00 0.00 O ATOM 102 C3' DT A 4 7.649 -0.929 0.589 1.00 0.00 C ATOM 103 O3' DT A 4 8.941 -0.319 0.772 1.00 0.00 O ATOM 104 C2' DT A 4 6.160 -0.534 0.663 1.00 0.00 C ATOM 105 C1' DT A 4 5.244 -1.412 -0.152 1.00 0.00 C ATOM 106 N1 DT A 4 4.047 -1.917 0.648 1.00 0.00 N ATOM 107 C2 DT A 4 2.968 -2.440 -0.059 1.00 0.00 C ATOM 108 O2 DT A 4 3.033 -2.683 -1.258 1.00 0.00 O ATOM 109 N3 DT A 4 1.796 -2.687 0.626 1.00 0.00 N ATOM 110 C4 DT A 4 1.480 -2.379 1.928 1.00 0.00 C ATOM 111 O4 DT A 4 0.446 -2.809 2.433 1.00 0.00 O ATOM 112 C5 DT A 4 2.435 -1.495 2.724 1.00 0.00 C ATOM 113 C7 DT A 4 2.707 -2.000 4.144 1.00 0.00 C ATOM 114 C6 DT A 4 3.736 -1.229 1.966 1.00 0.00 C ATOM 0 H5' DT A 4 8.122 -3.004 -2.132 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.833 -1.438 -2.467 1.00 0.00 H new ATOM 0 H4' DT A 4 7.262 -0.542 -1.503 1.00 0.00 H new ATOM 0 H3' DT A 4 7.947 -1.384 1.533 1.00 0.00 H new ATOM 0 H2' DT A 4 5.840 -0.563 1.705 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.052 0.497 0.325 1.00 0.00 H new ATOM 0 H1' DT A 4 4.621 -1.002 -0.947 1.00 0.00 H new ATOM 0 H3 DT A 4 1.066 -3.162 0.095 1.00 0.00 H new ATOM 0 H71 DT A 4 3.709 -1.701 4.451 1.00 0.00 H new ATOM 0 H72 DT A 4 1.975 -1.572 4.829 1.00 0.00 H new ATOM 0 H73 DT A 4 2.631 -3.087 4.164 1.00 0.00 H new ATOM 0 H6 DT A 4 4.452 -0.534 2.378 1.00 0.00 H new ATOM 127 P DA A 5 9.755 0.742 -0.177 1.00 0.00 P ATOM 128 OP1 DA A 5 10.966 0.053 -0.671 1.00 0.00 O ATOM 129 OP2 DA A 5 9.900 1.993 0.597 1.00 0.00 O ATOM 130 O5' DA A 5 8.836 1.076 -1.449 1.00 0.00 O ATOM 131 C5' DA A 5 7.721 1.910 -1.285 1.00 0.00 C ATOM 132 C4' DA A 5 6.677 1.671 -2.390 1.00 0.00 C ATOM 133 O4' DA A 5 5.375 1.432 -1.869 1.00 0.00 O ATOM 134 C3' DA A 5 6.630 2.838 -3.342 1.00 0.00 C ATOM 135 O3' DA A 5 6.423 2.477 -4.698 1.00 0.00 O ATOM 136 C2' DA A 5 5.463 3.532 -2.742 1.00 0.00 C ATOM 137 C1' DA A 5 4.528 2.521 -2.168 1.00 0.00 C ATOM 138 N9 DA A 5 3.952 3.074 -0.919 1.00 0.00 N ATOM 139 C8 DA A 5 4.618 3.657 0.126 1.00 0.00 C ATOM 140 N7 DA A 5 3.873 4.083 1.100 1.00 0.00 N ATOM 141 C5 DA A 5 2.598 3.783 0.644 1.00 0.00 C ATOM 142 C6 DA A 5 1.320 4.001 1.176 1.00 0.00 C ATOM 143 N6 DA A 5 1.132 4.423 2.419 1.00 0.00 N ATOM 144 N1 DA A 5 0.263 3.836 0.374 1.00 0.00 N ATOM 145 C2 DA A 5 0.477 3.382 -0.850 1.00 0.00 C ATOM 146 N3 DA A 5 1.601 3.055 -1.453 1.00 0.00 N ATOM 147 C4 DA A 5 2.639 3.278 -0.629 1.00 0.00 C ATOM 0 H5' DA A 5 8.038 2.953 -1.301 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.269 1.729 -0.310 1.00 0.00 H new ATOM 0 H4' DA A 5 6.993 0.774 -2.923 1.00 0.00 H new ATOM 0 H3' DA A 5 7.552 3.413 -3.424 1.00 0.00 H new ATOM 0 H2' DA A 5 5.795 4.220 -1.964 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.952 4.128 -3.498 1.00 0.00 H new ATOM 0 H1' DA A 5 3.704 2.246 -2.826 1.00 0.00 H new ATOM 0 H8 DA A 5 5.693 3.756 0.139 1.00 0.00 H new ATOM 0 H61 DA A 5 0.186 4.570 2.770 1.00 0.00 H new ATOM 0 H62 DA A 5 1.934 4.600 3.024 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.412 3.260 -1.451 1.00 0.00 H new ATOM 159 P DC A 6 6.446 3.578 -5.887 1.00 0.00 P ATOM 160 OP1 DC A 6 6.352 2.855 -7.173 1.00 0.00 O ATOM 161 OP2 DC A 6 7.593 4.476 -5.634 1.00 0.00 O ATOM 162 O5' DC A 6 5.088 4.436 -5.687 1.00 0.00 O ATOM 163 C5' DC A 6 3.824 3.902 -6.028 1.00 0.00 C ATOM 164 C4' DC A 6 2.665 4.774 -5.518 1.00 0.00 C ATOM 165 O4' DC A 6 2.529 4.727 -4.102 1.00 0.00 O ATOM 166 C3' DC A 6 2.751 6.270 -5.889 1.00 0.00 C ATOM 167 O3' DC A 6 1.681 6.572 -6.773 1.00 0.00 O ATOM 168 C2' DC A 6 2.604 6.929 -4.515 1.00 0.00 C ATOM 169 C1' DC A 6 1.796 5.891 -3.763 1.00 0.00 C ATOM 170 N1 DC A 6 1.756 6.226 -2.316 1.00 0.00 N ATOM 171 C2 DC A 6 0.538 6.591 -1.732 1.00 0.00 C ATOM 172 O2 DC A 6 -0.518 6.579 -2.362 1.00 0.00 O ATOM 173 N3 DC A 6 0.509 6.973 -0.426 1.00 0.00 N ATOM 174 C4 DC A 6 1.645 7.055 0.269 1.00 0.00 C ATOM 175 N4 DC A 6 1.588 7.353 1.558 1.00 0.00 N ATOM 176 C5 DC A 6 2.892 6.659 -0.294 1.00 0.00 C ATOM 177 C6 DC A 6 2.908 6.247 -1.575 1.00 0.00 C ATOM 0 H5' DC A 6 3.732 2.899 -5.612 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.753 3.805 -7.111 1.00 0.00 H new ATOM 0 H4' DC A 6 1.808 4.331 -6.026 1.00 0.00 H new ATOM 0 H3' DC A 6 3.655 6.596 -6.404 1.00 0.00 H new ATOM 0 H2' DC A 6 3.570 7.116 -4.045 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.087 7.887 -4.573 1.00 0.00 H new ATOM 0 H1' DC A 6 0.738 5.799 -4.009 1.00 0.00 H new ATOM 0 H41 DC A 6 2.447 7.420 2.104 1.00 0.00 H new ATOM 0 H42 DC A 6 0.685 7.516 2.004 1.00 0.00 H new ATOM 0 H5 DC A 6 3.799 6.689 0.291 1.00 0.00 H new ATOM 0 H6 DC A 6 3.838 5.930 -2.023 1.00 0.00 H new ATOM 189 P DG A 7 1.314 8.073 -7.256 1.00 0.00 P ATOM 190 OP1 DG A 7 0.959 8.010 -8.689 1.00 0.00 O ATOM 191 OP2 DG A 7 2.388 8.986 -6.810 1.00 0.00 O ATOM 192 O5' DG A 7 -0.026 8.408 -6.409 1.00 0.00 O ATOM 193 C5' DG A 7 -1.222 7.699 -6.674 1.00 0.00 C ATOM 194 C4' DG A 7 -2.450 8.194 -5.900 1.00 0.00 C ATOM 195 O4' DG A 7 -2.181 8.164 -4.509 1.00 0.00 O ATOM 196 C3' DG A 7 -2.872 9.627 -6.252 1.00 0.00 C ATOM 197 O3' DG A 7 -4.288 9.705 -6.186 1.00 0.00 O ATOM 198 C2' DG A 7 -2.164 10.401 -5.159 1.00 0.00 C ATOM 199 C1' DG A 7 -2.365 9.461 -3.972 1.00 0.00 C ATOM 200 N9 DG A 7 -1.389 9.687 -2.892 1.00 0.00 N ATOM 201 C8 DG A 7 -0.031 9.804 -3.001 1.00 0.00 C ATOM 202 N7 DG A 7 0.585 9.948 -1.861 1.00 0.00 N ATOM 203 C5 DG A 7 -0.443 9.883 -0.920 1.00 0.00 C ATOM 204 C6 DG A 7 -0.408 9.927 0.508 1.00 0.00 C ATOM 205 O6 DG A 7 0.552 10.145 1.239 1.00 0.00 O ATOM 206 N1 DG A 7 -1.645 9.684 1.087 1.00 0.00 N ATOM 207 C2 DG A 7 -2.809 9.543 0.379 1.00 0.00 C ATOM 208 N2 DG A 7 -3.939 9.362 1.054 1.00 0.00 N ATOM 209 N3 DG A 7 -2.870 9.571 -0.955 1.00 0.00 N ATOM 210 C4 DG A 7 -1.652 9.702 -1.543 1.00 0.00 C ATOM 0 H5' DG A 7 -1.063 6.646 -6.440 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.434 7.760 -7.741 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.263 7.524 -6.181 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.618 9.994 -7.246 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.110 10.564 -5.384 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.610 11.381 -4.991 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.346 9.617 -3.523 1.00 0.00 H new ATOM 0 H8 DG A 7 0.486 9.779 -3.949 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.691 9.605 2.103 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.821 9.254 0.553 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.925 9.331 2.073 1.00 0.00 H new ATOM 222 P DC A 8 -5.110 11.040 -6.577 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.267 10.638 -7.404 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.150 12.039 -7.095 1.00 0.00 O ATOM 225 O5' DC A 8 -5.651 11.560 -5.151 1.00 0.00 O ATOM 226 C5' DC A 8 -6.804 10.991 -4.560 1.00 0.00 C ATOM 227 C4' DC A 8 -6.966 11.493 -3.123 1.00 0.00 C ATOM 228 O4' DC A 8 -5.834 11.147 -2.354 1.00 0.00 O ATOM 229 C3' DC A 8 -7.064 13.010 -2.994 1.00 0.00 C ATOM 230 O3' DC A 8 -8.362 13.486 -3.274 1.00 0.00 O ATOM 231 C2' DC A 8 -6.688 13.203 -1.530 1.00 0.00 C ATOM 232 C1' DC A 8 -5.785 11.999 -1.220 1.00 0.00 C ATOM 233 N1 DC A 8 -4.382 12.418 -0.959 1.00 0.00 N ATOM 234 C2 DC A 8 -3.970 12.588 0.360 1.00 0.00 C ATOM 235 O2 DC A 8 -4.770 12.513 1.289 1.00 0.00 O ATOM 236 N3 DC A 8 -2.657 12.840 0.624 1.00 0.00 N ATOM 237 C4 DC A 8 -1.785 12.974 -0.380 1.00 0.00 C ATOM 238 N4 DC A 8 -0.503 13.134 -0.080 1.00 0.00 N ATOM 239 C5 DC A 8 -2.186 12.863 -1.750 1.00 0.00 C ATOM 240 C6 DC A 8 -3.488 12.580 -1.986 1.00 0.00 C ATOM 0 H5' DC A 8 -6.725 9.904 -4.566 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.687 11.250 -5.145 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.893 11.030 -2.783 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.434 13.558 -3.695 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.165 14.146 -1.373 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.570 13.217 -0.889 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.381 14.461 -3.178 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.135 11.492 -0.321 1.00 0.00 H new ATOM 0 H41 DC A 8 0.186 13.239 -0.825 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.206 13.152 0.896 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.482 12.999 -2.558 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.830 12.480 -3.005 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 1.201 12.212 9.499 1.00 0.00 O ATOM 255 C5' DG B 9 0.265 12.364 10.540 1.00 0.00 C ATOM 256 C4' DG B 9 -1.020 11.575 10.254 1.00 0.00 C ATOM 257 O4' DG B 9 -1.452 11.788 8.918 1.00 0.00 O ATOM 258 C3' DG B 9 -0.866 10.062 10.421 1.00 0.00 C ATOM 259 O3' DG B 9 -2.130 9.604 10.861 1.00 0.00 O ATOM 260 C2' DG B 9 -0.478 9.628 9.007 1.00 0.00 C ATOM 261 C1' DG B 9 -1.261 10.613 8.137 1.00 0.00 C ATOM 262 N9 DG B 9 -0.603 11.007 6.866 1.00 0.00 N ATOM 263 C8 DG B 9 0.733 11.152 6.576 1.00 0.00 C ATOM 264 N7 DG B 9 0.977 11.654 5.400 1.00 0.00 N ATOM 265 C5 DG B 9 -0.287 11.849 4.852 1.00 0.00 C ATOM 266 C6 DG B 9 -0.673 12.345 3.570 1.00 0.00 C ATOM 267 O6 DG B 9 0.044 12.794 2.681 1.00 0.00 O ATOM 268 N1 DG B 9 -2.041 12.287 3.361 1.00 0.00 N ATOM 269 C2 DG B 9 -2.947 11.876 4.309 1.00 0.00 C ATOM 270 N2 DG B 9 -4.236 11.876 3.991 1.00 0.00 N ATOM 271 N3 DG B 9 -2.602 11.445 5.528 1.00 0.00 N ATOM 272 C4 DG B 9 -1.258 11.445 5.735 1.00 0.00 C ATOM 0 H5' DG B 9 0.026 13.420 10.665 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.703 12.023 11.478 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.739 11.943 10.986 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.134 9.685 11.135 1.00 0.00 H new ATOM 0 H2' DG B 9 0.596 9.702 8.839 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.761 8.595 8.807 1.00 0.00 H new ATOM 0 HO5' DG B 9 0.729 12.119 8.645 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.183 10.111 7.844 1.00 0.00 H new ATOM 0 H8 DG B 9 1.515 10.873 7.266 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.398 12.567 2.447 1.00 0.00 H new ATOM 0 H21 DG B 9 -4.930 11.576 4.675 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.532 12.176 3.062 1.00 0.00 H new ATOM 285 P DC B 10 -2.470 8.060 11.137 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.266 7.974 12.380 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.229 7.267 10.995 1.00 0.00 O ATOM 288 O5' DC B 10 -3.421 7.748 9.883 1.00 0.00 O ATOM 289 C5' DC B 10 -4.706 8.331 9.781 1.00 0.00 C ATOM 290 C4' DC B 10 -5.351 7.973 8.438 1.00 0.00 C ATOM 291 O4' DC B 10 -4.644 8.615 7.379 1.00 0.00 O ATOM 292 C3' DC B 10 -5.321 6.458 8.180 1.00 0.00 C ATOM 293 O3' DC B 10 -6.544 6.105 7.588 1.00 0.00 O ATOM 294 C2' DC B 10 -4.114 6.386 7.249 1.00 0.00 C ATOM 295 C1' DC B 10 -4.275 7.649 6.411 1.00 0.00 C ATOM 296 N1 DC B 10 -3.027 8.015 5.693 1.00 0.00 N ATOM 297 C2 DC B 10 -3.060 8.564 4.413 1.00 0.00 C ATOM 298 O2 DC B 10 -4.125 8.770 3.833 1.00 0.00 O ATOM 299 N3 DC B 10 -1.881 8.880 3.788 1.00 0.00 N ATOM 300 C4 DC B 10 -0.713 8.596 4.386 1.00 0.00 C ATOM 301 N4 DC B 10 0.420 8.981 3.810 1.00 0.00 N ATOM 302 C5 DC B 10 -0.660 7.988 5.676 1.00 0.00 C ATOM 303 C6 DC B 10 -1.831 7.728 6.267 1.00 0.00 C ATOM 0 H5' DC B 10 -4.629 9.414 9.877 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.336 7.982 10.599 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.388 8.307 8.476 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.223 5.782 9.030 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.174 6.381 7.801 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.127 5.486 6.635 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.007 7.542 5.610 1.00 0.00 H new ATOM 0 H41 DC B 10 1.314 8.772 4.254 1.00 0.00 H new ATOM 0 H42 DC B 10 0.396 9.486 2.924 1.00 0.00 H new ATOM 0 H5 DC B 10 0.280 7.750 6.152 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.825 7.269 7.245 1.00 0.00 H new ATOM 315 P DG B 11 -6.988 4.581 7.375 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.209 4.336 8.171 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.804 3.710 7.536 1.00 0.00 O ATOM 318 O5' DG B 11 -7.366 4.639 5.823 1.00 0.00 O ATOM 319 C5' DG B 11 -8.322 5.562 5.348 1.00 0.00 C ATOM 320 C4' DG B 11 -8.445 5.432 3.831 1.00 0.00 C ATOM 321 O4' DG B 11 -7.279 5.955 3.226 1.00 0.00 O ATOM 322 C3' DG B 11 -8.586 3.970 3.403 1.00 0.00 C ATOM 323 O3' DG B 11 -9.571 3.933 2.390 1.00 0.00 O ATOM 324 C2' DG B 11 -7.166 3.605 2.963 1.00 0.00 C ATOM 325 C1' DG B 11 -6.594 4.948 2.504 1.00 0.00 C ATOM 326 N9 DG B 11 -5.153 5.097 2.793 1.00 0.00 N ATOM 327 C8 DG B 11 -4.516 4.907 3.992 1.00 0.00 C ATOM 328 N7 DG B 11 -3.274 5.291 4.007 1.00 0.00 N ATOM 329 C5 DG B 11 -3.055 5.727 2.706 1.00 0.00 C ATOM 330 C6 DG B 11 -1.859 6.184 2.090 1.00 0.00 C ATOM 331 O6 DG B 11 -0.765 6.357 2.615 1.00 0.00 O ATOM 332 N1 DG B 11 -2.007 6.446 0.742 1.00 0.00 N ATOM 333 C2 DG B 11 -3.190 6.330 0.059 1.00 0.00 C ATOM 334 N2 DG B 11 -3.162 6.556 -1.249 1.00 0.00 N ATOM 335 N3 DG B 11 -4.330 5.902 0.624 1.00 0.00 N ATOM 336 C4 DG B 11 -4.193 5.608 1.948 1.00 0.00 C ATOM 0 H5' DG B 11 -8.027 6.577 5.614 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.287 5.377 5.819 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.334 5.980 3.519 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.921 3.254 4.154 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.587 3.178 3.782 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.169 2.871 2.157 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.721 5.018 1.424 1.00 0.00 H new ATOM 0 H8 DG B 11 -5.005 4.474 4.852 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.183 6.745 0.221 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.018 6.481 -1.798 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.284 6.804 -1.705 1.00 0.00 H new ATOM 348 P DT B 12 -10.181 2.554 1.834 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.491 2.846 1.213 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.079 1.535 2.900 1.00 0.00 O ATOM 351 O5' DT B 12 -9.128 2.203 0.684 1.00 0.00 O ATOM 352 C5' DT B 12 -9.088 2.950 -0.513 1.00 0.00 C ATOM 353 C4' DT B 12 -7.867 2.532 -1.330 1.00 0.00 C ATOM 354 O4' DT B 12 -6.663 2.889 -0.690 1.00 0.00 O ATOM 355 C3' DT B 12 -7.777 1.019 -1.531 1.00 0.00 C ATOM 356 O3' DT B 12 -8.514 0.685 -2.689 1.00 0.00 O ATOM 357 C2' DT B 12 -6.262 0.787 -1.605 1.00 0.00 C ATOM 358 C1' DT B 12 -5.648 2.173 -1.363 1.00 0.00 C ATOM 359 N1 DT B 12 -4.407 2.201 -0.551 1.00 0.00 N ATOM 360 C2 DT B 12 -3.404 3.138 -0.757 1.00 0.00 C ATOM 361 O2 DT B 12 -3.330 3.806 -1.782 1.00 0.00 O ATOM 362 N3 DT B 12 -2.477 3.289 0.258 1.00 0.00 N ATOM 363 C4 DT B 12 -2.448 2.611 1.449 1.00 0.00 C ATOM 364 O4 DT B 12 -1.742 3.004 2.373 1.00 0.00 O ATOM 365 C5 DT B 12 -3.304 1.360 1.610 1.00 0.00 C ATOM 366 C7 DT B 12 -4.213 1.403 2.843 1.00 0.00 C ATOM 367 C6 DT B 12 -4.228 1.123 0.434 1.00 0.00 C ATOM 0 H5' DT B 12 -9.042 4.016 -0.288 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.999 2.785 -1.089 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.993 3.046 -2.283 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.206 0.385 -0.755 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.933 0.070 -0.852 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.969 0.387 -2.576 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.336 2.590 -2.321 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.739 3.976 0.105 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.117 0.825 2.649 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.687 0.978 3.698 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.483 2.436 3.060 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.745 0.182 0.321 1.00 0.00 H new ATOM 380 P DA B 13 -8.892 -0.835 -3.062 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.947 -0.800 -4.097 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.119 -1.580 -1.805 1.00 0.00 O ATOM 383 O5' DA B 13 -7.541 -1.374 -3.731 1.00 0.00 O ATOM 384 C5' DA B 13 -7.015 -0.763 -4.891 1.00 0.00 C ATOM 385 C4' DA B 13 -5.730 -1.484 -5.286 1.00 0.00 C ATOM 386 O4' DA B 13 -4.809 -1.476 -4.215 1.00 0.00 O ATOM 387 C3' DA B 13 -6.002 -2.940 -5.668 1.00 0.00 C ATOM 388 O3' DA B 13 -5.259 -3.259 -6.826 1.00 0.00 O ATOM 389 C2' DA B 13 -5.479 -3.657 -4.434 1.00 0.00 C ATOM 390 C1' DA B 13 -4.290 -2.777 -4.049 1.00 0.00 C ATOM 391 N9 DA B 13 -3.901 -2.980 -2.641 1.00 0.00 N ATOM 392 C8 DA B 13 -4.723 -2.886 -1.553 1.00 0.00 C ATOM 393 N7 DA B 13 -4.189 -3.316 -0.443 1.00 0.00 N ATOM 394 C5 DA B 13 -2.862 -3.534 -0.802 1.00 0.00 C ATOM 395 C6 DA B 13 -1.713 -3.823 -0.047 1.00 0.00 C ATOM 396 N6 DA B 13 -1.752 -4.126 1.247 1.00 0.00 N ATOM 397 N1 DA B 13 -0.514 -3.649 -0.612 1.00 0.00 N ATOM 398 C2 DA B 13 -0.442 -3.341 -1.897 1.00 0.00 C ATOM 399 N3 DA B 13 -1.444 -3.143 -2.753 1.00 0.00 N ATOM 400 C4 DA B 13 -2.649 -3.232 -2.124 1.00 0.00 C ATOM 0 H5' DA B 13 -6.814 0.292 -4.704 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.739 -0.810 -5.704 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.318 -0.954 -6.145 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.036 -3.191 -5.906 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.226 -3.707 -3.642 1.00 0.00 H new ATOM 0 H2'' DA B 13 -5.177 -4.681 -4.652 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.399 -2.988 -4.640 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.726 -2.490 -1.607 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.888 -4.328 1.750 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.646 -4.156 1.737 1.00 0.00 H new ATOM 0 H2 DA B 13 0.553 -3.237 -2.303 1.00 0.00 H new ATOM 412 P DC B 14 -5.601 -4.552 -7.724 1.00 0.00 P ATOM 413 OP1 DC B 14 -6.991 -4.398 -8.203 1.00 0.00 O ATOM 414 OP2 DC B 14 -5.230 -5.766 -6.965 1.00 0.00 O ATOM 415 O5' DC B 14 -4.613 -4.415 -8.990 1.00 0.00 O ATOM 416 C5' DC B 14 -3.284 -3.936 -8.879 1.00 0.00 C ATOM 417 C4' DC B 14 -2.329 -4.825 -8.069 1.00 0.00 C ATOM 418 O4' DC B 14 -2.517 -4.753 -6.664 1.00 0.00 O ATOM 419 C3' DC B 14 -2.386 -6.320 -8.419 1.00 0.00 C ATOM 420 O3' DC B 14 -1.382 -6.618 -9.368 1.00 0.00 O ATOM 421 C2' DC B 14 -2.182 -6.975 -7.048 1.00 0.00 C ATOM 422 C1' DC B 14 -1.741 -5.825 -6.155 1.00 0.00 C ATOM 423 N1 DC B 14 -1.972 -6.138 -4.716 1.00 0.00 N ATOM 424 C2 DC B 14 -0.873 -6.257 -3.872 1.00 0.00 C ATOM 425 O2 DC B 14 0.276 -6.134 -4.287 1.00 0.00 O ATOM 426 N3 DC B 14 -1.069 -6.518 -2.552 1.00 0.00 N ATOM 427 C4 DC B 14 -2.297 -6.740 -2.080 1.00 0.00 C ATOM 428 N4 DC B 14 -2.447 -6.936 -0.778 1.00 0.00 N ATOM 429 C5 DC B 14 -3.442 -6.700 -2.931 1.00 0.00 C ATOM 430 C6 DC B 14 -3.224 -6.409 -4.232 1.00 0.00 C ATOM 0 H5' DC B 14 -3.309 -2.947 -8.421 1.00 0.00 H new ATOM 0 H5'' DC B 14 -2.875 -3.812 -9.882 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.364 -4.406 -8.355 1.00 0.00 H new ATOM 0 H3' DC B 14 -3.305 -6.670 -8.889 1.00 0.00 H new ATOM 0 H2' DC B 14 -3.101 -7.434 -6.684 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.428 -7.761 -7.089 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.675 -5.599 -6.176 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.375 -7.108 -0.392 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.634 -6.915 -0.162 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.435 -6.893 -2.553 1.00 0.00 H new ATOM 0 H6 DC B 14 -4.063 -6.389 -4.912 1.00 0.00 H new ATOM 442 P DG B 15 -1.044 -8.130 -9.807 1.00 0.00 P ATOM 443 OP1 DG B 15 -0.544 -8.101 -11.198 1.00 0.00 O ATOM 444 OP2 DG B 15 -2.196 -8.988 -9.457 1.00 0.00 O ATOM 445 O5' DG B 15 0.181 -8.483 -8.814 1.00 0.00 O ATOM 446 C5' DG B 15 1.429 -7.843 -8.971 1.00 0.00 C ATOM 447 C4' DG B 15 2.612 -8.401 -8.166 1.00 0.00 C ATOM 448 O4' DG B 15 2.359 -8.148 -6.799 1.00 0.00 O ATOM 449 C3' DG B 15 2.852 -9.916 -8.338 1.00 0.00 C ATOM 450 O3' DG B 15 4.220 -10.222 -8.129 1.00 0.00 O ATOM 451 C2' DG B 15 1.934 -10.388 -7.232 1.00 0.00 C ATOM 452 C1' DG B 15 2.323 -9.393 -6.148 1.00 0.00 C ATOM 453 N9 DG B 15 1.377 -9.401 -5.036 1.00 0.00 N ATOM 454 C8 DG B 15 0.054 -9.682 -5.101 1.00 0.00 C ATOM 455 N7 DG B 15 -0.555 -9.666 -3.946 1.00 0.00 N ATOM 456 C5 DG B 15 0.474 -9.385 -3.038 1.00 0.00 C ATOM 457 C6 DG B 15 0.486 -9.312 -1.608 1.00 0.00 C ATOM 458 O6 DG B 15 -0.462 -9.370 -0.830 1.00 0.00 O ATOM 459 N1 DG B 15 1.767 -9.158 -1.090 1.00 0.00 N ATOM 460 C2 DG B 15 2.904 -9.068 -1.854 1.00 0.00 C ATOM 461 N2 DG B 15 4.082 -8.977 -1.256 1.00 0.00 N ATOM 462 N3 DG B 15 2.906 -9.119 -3.184 1.00 0.00 N ATOM 463 C4 DG B 15 1.666 -9.267 -3.707 1.00 0.00 C ATOM 0 H5' DG B 15 1.306 -6.793 -8.706 1.00 0.00 H new ATOM 0 H5'' DG B 15 1.694 -7.876 -10.028 1.00 0.00 H new ATOM 0 H4' DG B 15 3.508 -7.905 -8.540 1.00 0.00 H new ATOM 0 H3' DG B 15 2.652 -10.362 -9.312 1.00 0.00 H new ATOM 0 H2' DG B 15 0.881 -10.322 -7.504 1.00 0.00 H new ATOM 0 H2'' DG B 15 2.124 -11.421 -6.941 1.00 0.00 H new ATOM 0 H1' DG B 15 3.283 -9.641 -5.695 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.454 -9.901 -6.029 1.00 0.00 H new ATOM 0 H1 DG B 15 1.869 -9.109 -0.076 1.00 0.00 H new ATOM 0 H21 DG B 15 4.933 -8.910 -1.814 1.00 0.00 H new ATOM 0 H22 DG B 15 4.138 -8.974 -0.238 1.00 0.00 H new ATOM 475 P DC B 16 4.795 -11.728 -8.238 1.00 0.00 P ATOM 476 OP1 DC B 16 5.982 -11.700 -9.119 1.00 0.00 O ATOM 477 OP2 DC B 16 3.667 -12.630 -8.557 1.00 0.00 O ATOM 478 O5' DC B 16 5.275 -12.046 -6.732 1.00 0.00 O ATOM 479 C5' DC B 16 6.458 -11.468 -6.213 1.00 0.00 C ATOM 480 C4' DC B 16 6.625 -11.803 -4.732 1.00 0.00 C ATOM 481 O4' DC B 16 5.563 -11.230 -4.003 1.00 0.00 O ATOM 482 C3' DC B 16 6.578 -13.292 -4.401 1.00 0.00 C ATOM 483 O3' DC B 16 7.818 -13.926 -4.625 1.00 0.00 O ATOM 484 C2' DC B 16 6.218 -13.240 -2.921 1.00 0.00 C ATOM 485 C1' DC B 16 5.419 -11.936 -2.782 1.00 0.00 C ATOM 486 N1 DC B 16 3.978 -12.197 -2.521 1.00 0.00 N ATOM 487 C2 DC B 16 3.544 -12.252 -1.199 1.00 0.00 C ATOM 488 O2 DC B 16 4.339 -12.175 -0.265 1.00 0.00 O ATOM 489 N3 DC B 16 2.215 -12.393 -0.937 1.00 0.00 N ATOM 490 C4 DC B 16 1.343 -12.513 -1.944 1.00 0.00 C ATOM 491 N4 DC B 16 0.050 -12.559 -1.655 1.00 0.00 N ATOM 492 C5 DC B 16 1.760 -12.499 -3.313 1.00 0.00 C ATOM 493 C6 DC B 16 3.081 -12.334 -3.550 1.00 0.00 C ATOM 0 H5' DC B 16 6.427 -10.386 -6.344 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.320 -11.832 -6.772 1.00 0.00 H new ATOM 0 H4' DC B 16 7.611 -11.417 -4.472 1.00 0.00 H new ATOM 0 H3' DC B 16 5.885 -13.869 -5.014 1.00 0.00 H new ATOM 0 H2' DC B 16 5.626 -14.105 -2.623 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.109 -13.232 -2.293 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.745 -14.877 -4.399 1.00 0.00 H new ATOM 0 H1' DC B 16 5.797 -11.362 -1.936 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.637 -12.650 -2.403 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.258 -12.503 -0.684 1.00 0.00 H new ATOM 0 H5 DC B 16 1.052 -12.615 -4.120 1.00 0.00 H new ATOM 0 H6 DC B 16 3.437 -12.310 -4.569 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.449 0.144 -1.429 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.700 0.053 -1.348 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.455 -0.090 -0.037 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.626 0.031 1.204 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.387 0.274 2.027 1.00 0.00 C HETATM 512 C6 PSO B 1 0.999 0.407 1.813 1.00 0.00 C HETATM 513 C7 PSO B 1 1.494 0.429 0.558 1.00 0.00 C HETATM 514 C8 PSO B 1 0.636 0.190 -0.521 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.763 0.202 -0.357 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.263 0.183 0.938 1.00 0.00 C HETATM 517 C4' PSO B 1 2.105 0.016 2.741 1.00 0.00 C HETATM 518 C5' PSO B 1 3.278 0.232 1.797 1.00 0.00 C HETATM 519 O6' PSO B 1 2.752 0.435 0.479 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.344 0.080 -2.390 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.928 -1.031 2.272 1.00 0.00 C HETATM 522 C13 PSO B 1 2.134 0.766 4.082 1.00 0.00 C HETATM 523 O14 PSO B 1 1.797 2.134 4.018 1.00 0.00 O HETATM 524 C15 PSO B 1 4.120 1.370 2.352 1.00 0.00 C HETATM 525 C16 PSO B 1 1.211 -0.096 -1.877 1.00 0.00 C HETATM 0 H163 PSO B 1 1.817 0.750 -2.201 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.832 -0.990 -1.827 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.401 -0.256 -2.589 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.514 2.274 2.414 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.480 1.105 3.346 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.971 1.548 1.694 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.448 0.272 4.770 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.133 0.675 4.508 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.972 -0.954 2.577 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.743 -2.023 1.861 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.284 -0.871 3.137 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.779 0.242 3.044 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.842 2.524 4.916 1.00 0.00 H new