USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 214 hydrogens (60 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 THR H1 : B 1 THR N : B 6 PXZ C :(NH2R) USER MOD NoAdj-H: B 1 THR H2 : B 1 THR N : B 6 PXZ C :(NH2R) USER MOD NoAdj-H: B 2 DVA H2 : B 2 DVA N : B 1 THR C :(H bumps) USER MOD NoAdj-H: B 4 SAR H : B 4 SAR N : B 3 PRO C :(H bumps) USER MOD NoAdj-H: B 5 MVA H : B 5 MVA N : B 4 SAR C :(H bumps) USER MOD NoAdj-H: B 6 PXZ H' : B 6 PXZ C' : B 7 THR N :(H bumps) USER MOD NoAdj-H: B 6 PXZ H : B 6 PXZ C : B 1 THR N :(H bumps) USER MOD NoAdj-H: B 8 DVA H2 : B 8 DVA N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 10 SAR H : B 10 SAR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 11 MVA H : B 11 MVA N : B 10 SAR C :(H bumps) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 THR N :NH3+ 178:sc=-0.00328 (180deg=-0.0191) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.236 -13.213 -6.710 1.00 0.00 O ATOM 2 C5' DC A 1 3.519 -12.993 -5.344 1.00 0.00 C ATOM 3 C4' DC A 1 2.314 -12.336 -4.668 1.00 0.00 C ATOM 4 O4' DC A 1 2.527 -12.153 -3.282 1.00 0.00 O ATOM 5 C3' DC A 1 2.000 -10.944 -5.239 1.00 0.00 C ATOM 6 O3' DC A 1 0.922 -11.041 -6.155 1.00 0.00 O ATOM 7 C2' DC A 1 1.671 -10.112 -3.996 1.00 0.00 C ATOM 8 C1' DC A 1 1.594 -11.165 -2.898 1.00 0.00 C ATOM 9 N1 DC A 1 1.847 -10.596 -1.548 1.00 0.00 N ATOM 10 C2 DC A 1 0.751 -10.318 -0.728 1.00 0.00 C ATOM 11 O2 DC A 1 -0.402 -10.450 -1.131 1.00 0.00 O ATOM 12 N3 DC A 1 0.982 -9.866 0.536 1.00 0.00 N ATOM 13 C4 DC A 1 2.227 -9.680 0.995 1.00 0.00 C ATOM 14 N4 DC A 1 2.381 -9.228 2.244 1.00 0.00 N ATOM 15 C5 DC A 1 3.370 -9.950 0.168 1.00 0.00 C ATOM 16 C6 DC A 1 3.128 -10.406 -1.085 1.00 0.00 C ATOM 0 H5' DC A 1 4.397 -12.356 -5.243 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.753 -13.938 -4.854 1.00 0.00 H new ATOM 0 H4' DC A 1 1.486 -13.019 -4.856 1.00 0.00 H new ATOM 0 H3' DC A 1 2.813 -10.490 -5.805 1.00 0.00 H new ATOM 0 H2' DC A 1 2.441 -9.369 -3.791 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.730 -9.573 -4.107 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.010 -13.632 -7.141 1.00 0.00 H new ATOM 0 H1' DC A 1 0.595 -11.589 -2.802 1.00 0.00 H new ATOM 0 H41 DC A 1 3.317 -9.077 2.620 1.00 0.00 H new ATOM 0 H42 DC A 1 1.562 -9.034 2.821 1.00 0.00 H new ATOM 0 H5 DC A 1 4.376 -9.797 0.528 1.00 0.00 H new ATOM 0 H6 DC A 1 3.961 -10.626 -1.736 1.00 0.00 H new ATOM 29 P DC A 2 0.431 -9.787 -7.050 1.00 0.00 P ATOM 30 OP1 DC A 2 -0.346 -10.321 -8.190 1.00 0.00 O ATOM 31 OP2 DC A 2 1.601 -8.917 -7.307 1.00 0.00 O ATOM 32 O5' DC A 2 -0.580 -8.991 -6.076 1.00 0.00 O ATOM 33 C5' DC A 2 -1.852 -9.515 -5.739 1.00 0.00 C ATOM 34 C4' DC A 2 -2.617 -8.534 -4.843 1.00 0.00 C ATOM 35 O4' DC A 2 -1.977 -8.383 -3.589 1.00 0.00 O ATOM 36 C3' DC A 2 -2.738 -7.134 -5.466 1.00 0.00 C ATOM 37 O3' DC A 2 -4.109 -6.833 -5.678 1.00 0.00 O ATOM 38 C2' DC A 2 -2.109 -6.227 -4.407 1.00 0.00 C ATOM 39 C1' DC A 2 -2.245 -7.069 -3.144 1.00 0.00 C ATOM 40 N1 DC A 2 -1.295 -6.682 -2.062 1.00 0.00 N ATOM 41 C2 DC A 2 -1.802 -6.108 -0.893 1.00 0.00 C ATOM 42 O2 DC A 2 -2.947 -5.666 -0.848 1.00 0.00 O ATOM 43 N3 DC A 2 -1.003 -6.059 0.213 1.00 0.00 N ATOM 44 C4 DC A 2 0.268 -6.488 0.164 1.00 0.00 C ATOM 45 N4 DC A 2 0.992 -6.501 1.288 1.00 0.00 N ATOM 46 C5 DC A 2 0.847 -6.963 -1.062 1.00 0.00 C ATOM 47 C6 DC A 2 0.027 -7.047 -2.136 1.00 0.00 C ATOM 0 H5' DC A 2 -1.734 -10.469 -5.226 1.00 0.00 H new ATOM 0 H5'' DC A 2 -2.424 -9.709 -6.646 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.611 -8.964 -4.724 1.00 0.00 H new ATOM 0 H3' DC A 2 -2.252 -7.026 -6.435 1.00 0.00 H new ATOM 0 H2' DC A 2 -1.068 -5.997 -4.634 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.634 -5.276 -4.321 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.230 -6.942 -2.695 1.00 0.00 H new ATOM 0 H41 DC A 2 1.959 -6.824 1.268 1.00 0.00 H new ATOM 0 H42 DC A 2 0.577 -6.188 2.166 1.00 0.00 H new ATOM 0 H5 DC A 2 1.889 -7.240 -1.124 1.00 0.00 H new ATOM 0 H6 DC A 2 0.422 -7.410 -3.073 1.00 0.00 H new ATOM 59 P DG A 3 -4.592 -5.900 -6.907 1.00 0.00 P ATOM 60 OP1 DG A 3 -6.072 -5.914 -6.933 1.00 0.00 O ATOM 61 OP2 DG A 3 -3.838 -6.293 -8.118 1.00 0.00 O ATOM 62 O5' DG A 3 -4.108 -4.428 -6.468 1.00 0.00 O ATOM 63 C5' DG A 3 -4.991 -3.519 -5.842 1.00 0.00 C ATOM 64 C4' DG A 3 -4.235 -2.309 -5.286 1.00 0.00 C ATOM 65 O4' DG A 3 -3.584 -2.695 -4.082 1.00 0.00 O ATOM 66 C3' DG A 3 -3.170 -1.744 -6.249 1.00 0.00 C ATOM 67 O3' DG A 3 -3.364 -0.358 -6.506 1.00 0.00 O ATOM 68 C2' DG A 3 -1.891 -2.000 -5.453 1.00 0.00 C ATOM 69 C1' DG A 3 -2.391 -1.954 -4.008 1.00 0.00 C ATOM 70 N9 DG A 3 -1.434 -2.500 -3.008 1.00 0.00 N ATOM 71 C8 DG A 3 -0.259 -3.184 -3.216 1.00 0.00 C ATOM 72 N7 DG A 3 0.389 -3.491 -2.130 1.00 0.00 N ATOM 73 C5 DG A 3 -0.398 -2.969 -1.114 1.00 0.00 C ATOM 74 C6 DG A 3 -0.182 -2.974 0.298 1.00 0.00 C ATOM 75 O6 DG A 3 0.764 -3.435 0.932 1.00 0.00 O ATOM 76 N1 DG A 3 -1.214 -2.358 0.987 1.00 0.00 N ATOM 77 C2 DG A 3 -2.310 -1.769 0.398 1.00 0.00 C ATOM 78 N2 DG A 3 -3.166 -1.194 1.245 1.00 0.00 N ATOM 79 N3 DG A 3 -2.510 -1.734 -0.933 1.00 0.00 N ATOM 80 C4 DG A 3 -1.522 -2.362 -1.636 1.00 0.00 C ATOM 0 H5' DG A 3 -5.523 -4.022 -5.034 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.742 -3.185 -6.558 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.974 -1.524 -5.127 1.00 0.00 H new ATOM 0 H3' DG A 3 -3.181 -2.197 -7.240 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.445 -2.964 -5.699 1.00 0.00 H new ATOM 0 H2'' DG A 3 -1.133 -1.240 -5.645 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.525 -0.934 -3.649 1.00 0.00 H new ATOM 0 H8 DG A 3 0.097 -3.445 -4.201 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.158 -2.340 2.005 1.00 0.00 H new ATOM 0 H21 DG A 3 -4.005 -0.735 0.889 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.982 -1.214 2.248 1.00 0.00 H new ATOM 92 P DT A 4 -2.714 0.362 -7.812 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.550 0.034 -8.988 1.00 0.00 O ATOM 94 OP2 DT A 4 -1.266 0.056 -7.831 1.00 0.00 O ATOM 95 O5' DT A 4 -2.849 1.946 -7.519 1.00 0.00 O ATOM 96 C5' DT A 4 -4.101 2.607 -7.497 1.00 0.00 C ATOM 97 C4' DT A 4 -3.991 3.985 -6.820 1.00 0.00 C ATOM 98 O4' DT A 4 -2.997 3.907 -5.806 1.00 0.00 O ATOM 99 C3' DT A 4 -3.603 5.153 -7.743 1.00 0.00 C ATOM 100 O3' DT A 4 -4.126 6.372 -7.231 1.00 0.00 O ATOM 101 C2' DT A 4 -2.087 5.098 -7.654 1.00 0.00 C ATOM 102 C1' DT A 4 -1.876 4.690 -6.190 1.00 0.00 C ATOM 103 N1 DT A 4 -0.574 4.009 -5.901 1.00 0.00 N ATOM 104 C2 DT A 4 -0.068 4.098 -4.600 1.00 0.00 C ATOM 105 O2 DT A 4 -0.655 4.663 -3.678 1.00 0.00 O ATOM 106 N3 DT A 4 1.158 3.485 -4.370 1.00 0.00 N ATOM 107 C4 DT A 4 1.909 2.778 -5.295 1.00 0.00 C ATOM 108 O4 DT A 4 2.994 2.301 -4.974 1.00 0.00 O ATOM 109 C5 DT A 4 1.280 2.651 -6.593 1.00 0.00 C ATOM 110 C7 DT A 4 1.938 1.815 -7.673 1.00 0.00 C ATOM 111 C6 DT A 4 0.088 3.247 -6.845 1.00 0.00 C ATOM 0 H5' DT A 4 -4.829 1.995 -6.965 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.469 2.728 -8.516 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.992 4.202 -6.448 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.981 5.091 -8.763 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.662 4.371 -8.347 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.628 6.060 -7.881 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.806 5.597 -5.589 1.00 0.00 H new ATOM 0 H3 DT A 4 1.542 3.563 -3.428 1.00 0.00 H new ATOM 0 H71 DT A 4 1.172 1.392 -8.323 1.00 0.00 H new ATOM 0 H72 DT A 4 2.608 2.442 -8.261 1.00 0.00 H new ATOM 0 H73 DT A 4 2.508 1.008 -7.212 1.00 0.00 H new ATOM 0 H6 DT A 4 -0.360 3.121 -7.819 1.00 0.00 H new ATOM 124 P DT A 5 -3.856 7.809 -7.936 1.00 0.00 P ATOM 125 OP1 DT A 5 -5.108 8.595 -7.869 1.00 0.00 O ATOM 126 OP2 DT A 5 -3.204 7.582 -9.246 1.00 0.00 O ATOM 127 O5' DT A 5 -2.778 8.494 -6.944 1.00 0.00 O ATOM 128 C5' DT A 5 -3.193 9.055 -5.712 1.00 0.00 C ATOM 129 C4' DT A 5 -2.031 9.231 -4.731 1.00 0.00 C ATOM 130 O4' DT A 5 -1.228 8.065 -4.670 1.00 0.00 O ATOM 131 C3' DT A 5 -1.088 10.424 -4.981 1.00 0.00 C ATOM 132 O3' DT A 5 -1.389 11.433 -4.021 1.00 0.00 O ATOM 133 C2' DT A 5 0.296 9.782 -4.815 1.00 0.00 C ATOM 134 C1' DT A 5 -0.025 8.485 -4.075 1.00 0.00 C ATOM 135 N1 DT A 5 1.048 7.451 -4.145 1.00 0.00 N ATOM 136 C2 DT A 5 1.383 6.780 -2.969 1.00 0.00 C ATOM 137 O2 DT A 5 0.774 6.919 -1.911 1.00 0.00 O ATOM 138 N3 DT A 5 2.467 5.916 -3.041 1.00 0.00 N ATOM 139 C4 DT A 5 3.238 5.665 -4.165 1.00 0.00 C ATOM 140 O4 DT A 5 4.228 4.944 -4.085 1.00 0.00 O ATOM 141 C5 DT A 5 2.750 6.304 -5.373 1.00 0.00 C ATOM 142 C7 DT A 5 3.438 6.027 -6.695 1.00 0.00 C ATOM 143 C6 DT A 5 1.696 7.158 -5.325 1.00 0.00 C ATOM 0 H5' DT A 5 -3.952 8.415 -5.262 1.00 0.00 H new ATOM 0 H5'' DT A 5 -3.660 10.023 -5.895 1.00 0.00 H new ATOM 0 H4' DT A 5 -2.549 9.433 -3.793 1.00 0.00 H new ATOM 0 H3' DT A 5 -1.169 10.920 -5.948 1.00 0.00 H new ATOM 0 H2' DT A 5 0.773 9.593 -5.777 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.972 10.418 -4.244 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.108 8.646 -3.000 1.00 0.00 H new ATOM 0 H3 DT A 5 2.720 5.419 -2.187 1.00 0.00 H new ATOM 0 H71 DT A 5 2.714 6.107 -7.506 1.00 0.00 H new ATOM 0 H72 DT A 5 4.236 6.753 -6.849 1.00 0.00 H new ATOM 0 H73 DT A 5 3.859 5.022 -6.682 1.00 0.00 H new ATOM 0 H6 DT A 5 1.355 7.622 -6.239 1.00 0.00 H new ATOM 156 P DT A 6 -0.416 12.683 -3.671 1.00 0.00 P ATOM 157 OP1 DT A 6 -1.257 13.804 -3.197 1.00 0.00 O ATOM 158 OP2 DT A 6 0.526 12.890 -4.793 1.00 0.00 O ATOM 159 O5' DT A 6 0.406 12.102 -2.403 1.00 0.00 O ATOM 160 C5' DT A 6 -0.268 11.792 -1.196 1.00 0.00 C ATOM 161 C4' DT A 6 0.530 10.831 -0.307 1.00 0.00 C ATOM 162 O4' DT A 6 1.178 9.830 -1.089 1.00 0.00 O ATOM 163 C3' DT A 6 1.598 11.474 0.597 1.00 0.00 C ATOM 164 O3' DT A 6 1.410 10.965 1.914 1.00 0.00 O ATOM 165 C2' DT A 6 2.877 10.956 -0.042 1.00 0.00 C ATOM 166 C1' DT A 6 2.419 9.565 -0.467 1.00 0.00 C ATOM 167 N1 DT A 6 3.412 8.863 -1.330 1.00 0.00 N ATOM 168 C2 DT A 6 3.849 7.591 -0.948 1.00 0.00 C ATOM 169 O2 DT A 6 3.306 6.920 -0.072 1.00 0.00 O ATOM 170 N3 DT A 6 4.930 7.073 -1.649 1.00 0.00 N ATOM 171 C4 DT A 6 5.531 7.652 -2.758 1.00 0.00 C ATOM 172 O4 DT A 6 6.463 7.083 -3.320 1.00 0.00 O ATOM 173 C5 DT A 6 4.954 8.923 -3.155 1.00 0.00 C ATOM 174 C7 DT A 6 5.483 9.634 -4.385 1.00 0.00 C ATOM 175 C6 DT A 6 3.938 9.476 -2.444 1.00 0.00 C ATOM 0 H5' DT A 6 -1.236 11.348 -1.428 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.463 12.713 -0.646 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.233 10.415 0.351 1.00 0.00 H new ATOM 0 H3' DT A 6 1.583 12.561 0.678 1.00 0.00 H new ATOM 0 H2' DT A 6 3.196 11.565 -0.887 1.00 0.00 H new ATOM 0 H2'' DT A 6 3.710 10.924 0.660 1.00 0.00 H new ATOM 0 H1' DT A 6 2.321 8.862 0.360 1.00 0.00 H new ATOM 0 H3 DT A 6 5.317 6.188 -1.320 1.00 0.00 H new ATOM 0 H71 DT A 6 4.683 10.217 -4.841 1.00 0.00 H new ATOM 0 H72 DT A 6 6.298 10.299 -4.099 1.00 0.00 H new ATOM 0 H73 DT A 6 5.849 8.898 -5.101 1.00 0.00 H new ATOM 0 H6 DT A 6 3.531 10.424 -2.762 1.00 0.00 H new ATOM 188 P DT A 7 2.403 11.298 3.154 1.00 0.00 P ATOM 189 OP1 DT A 7 1.653 11.076 4.410 1.00 0.00 O ATOM 190 OP2 DT A 7 3.035 12.612 2.902 1.00 0.00 O ATOM 191 O5' DT A 7 3.551 10.161 3.054 1.00 0.00 O ATOM 192 C5' DT A 7 3.257 8.789 3.255 1.00 0.00 C ATOM 193 C4' DT A 7 4.448 7.908 2.855 1.00 0.00 C ATOM 194 O4' DT A 7 5.041 8.371 1.657 1.00 0.00 O ATOM 195 C3' DT A 7 5.576 7.831 3.900 1.00 0.00 C ATOM 196 O3' DT A 7 5.711 6.470 4.265 1.00 0.00 O ATOM 197 C2' DT A 7 6.823 8.244 3.111 1.00 0.00 C ATOM 198 C1' DT A 7 6.375 7.919 1.684 1.00 0.00 C ATOM 199 N1 DT A 7 7.189 8.518 0.587 1.00 0.00 N ATOM 200 C2 DT A 7 7.985 7.665 -0.182 1.00 0.00 C ATOM 201 O2 DT A 7 8.189 6.488 0.107 1.00 0.00 O ATOM 202 N3 DT A 7 8.551 8.209 -1.328 1.00 0.00 N ATOM 203 C4 DT A 7 8.381 9.509 -1.783 1.00 0.00 C ATOM 204 O4 DT A 7 8.894 9.863 -2.842 1.00 0.00 O ATOM 205 C5 DT A 7 7.571 10.342 -0.914 1.00 0.00 C ATOM 206 C7 DT A 7 7.293 11.783 -1.294 1.00 0.00 C ATOM 207 C6 DT A 7 7.018 9.832 0.214 1.00 0.00 C ATOM 0 H5' DT A 7 2.381 8.511 2.669 1.00 0.00 H new ATOM 0 H5'' DT A 7 3.007 8.616 4.302 1.00 0.00 H new ATOM 0 H4' DT A 7 4.010 6.916 2.747 1.00 0.00 H new ATOM 0 H3' DT A 7 5.408 8.440 4.788 1.00 0.00 H new ATOM 0 H2' DT A 7 7.063 9.299 3.239 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.706 7.678 3.407 1.00 0.00 H new ATOM 0 H1' DT A 7 6.498 6.855 1.482 1.00 0.00 H new ATOM 0 H3 DT A 7 9.146 7.597 -1.886 1.00 0.00 H new ATOM 0 H71 DT A 7 6.325 12.084 -0.895 1.00 0.00 H new ATOM 0 H72 DT A 7 8.071 12.425 -0.881 1.00 0.00 H new ATOM 0 H73 DT A 7 7.283 11.877 -2.380 1.00 0.00 H new ATOM 0 H6 DT A 7 6.423 10.479 0.841 1.00 0.00 H new ATOM 220 P DG A 8 6.084 5.964 5.751 1.00 0.00 P ATOM 221 OP1 DG A 8 6.094 7.106 6.694 1.00 0.00 O ATOM 222 OP2 DG A 8 7.255 5.065 5.655 1.00 0.00 O ATOM 223 O5' DG A 8 4.766 5.069 6.001 1.00 0.00 O ATOM 224 C5' DG A 8 3.588 5.575 6.608 1.00 0.00 C ATOM 225 C4' DG A 8 2.370 5.015 5.865 1.00 0.00 C ATOM 226 O4' DG A 8 2.562 4.966 4.464 1.00 0.00 O ATOM 227 C3' DG A 8 1.942 3.621 6.335 1.00 0.00 C ATOM 228 O3' DG A 8 0.846 3.681 7.236 1.00 0.00 O ATOM 229 C2' DG A 8 1.503 2.976 5.023 1.00 0.00 C ATOM 230 C1' DG A 8 1.610 4.058 3.954 1.00 0.00 C ATOM 231 N9 DG A 8 2.052 3.547 2.635 1.00 0.00 N ATOM 232 C8 DG A 8 3.267 2.992 2.334 1.00 0.00 C ATOM 233 N7 DG A 8 3.472 2.797 1.063 1.00 0.00 N ATOM 234 C5 DG A 8 2.307 3.262 0.466 1.00 0.00 C ATOM 235 C6 DG A 8 1.972 3.360 -0.918 1.00 0.00 C ATOM 236 O6 DG A 8 2.646 3.030 -1.890 1.00 0.00 O ATOM 237 N1 DG A 8 0.720 3.926 -1.123 1.00 0.00 N ATOM 238 C2 DG A 8 -0.123 4.335 -0.112 1.00 0.00 C ATOM 239 N2 DG A 8 -1.270 4.890 -0.509 1.00 0.00 N ATOM 240 N3 DG A 8 0.169 4.218 1.197 1.00 0.00 N ATOM 241 C4 DG A 8 1.412 3.698 1.420 1.00 0.00 C ATOM 0 H5' DG A 8 3.583 6.664 6.573 1.00 0.00 H new ATOM 0 H5'' DG A 8 3.553 5.290 7.659 1.00 0.00 H new ATOM 0 H4' DG A 8 1.576 5.721 6.107 1.00 0.00 H new ATOM 0 H3' DG A 8 2.727 3.088 6.871 1.00 0.00 H new ATOM 0 H2' DG A 8 2.137 2.124 4.778 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.482 2.602 5.097 1.00 0.00 H new ATOM 0 H1' DG A 8 0.633 4.503 3.767 1.00 0.00 H new ATOM 0 H8 DG A 8 3.996 2.737 3.089 1.00 0.00 H new ATOM 0 H1 DG A 8 0.404 4.047 -2.085 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.945 5.217 0.183 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.472 4.987 -1.504 1.00 0.00 H new ATOM 253 P DT A 9 0.877 3.020 8.718 1.00 0.00 P ATOM 254 OP1 DT A 9 0.181 3.943 9.642 1.00 0.00 O ATOM 255 OP2 DT A 9 2.248 2.563 9.033 1.00 0.00 O ATOM 256 O5' DT A 9 -0.056 1.719 8.517 1.00 0.00 O ATOM 257 C5' DT A 9 -1.452 1.835 8.319 1.00 0.00 C ATOM 258 C4' DT A 9 -2.021 0.529 7.762 1.00 0.00 C ATOM 259 O4' DT A 9 -1.296 0.115 6.622 1.00 0.00 O ATOM 260 C3' DT A 9 -1.953 -0.674 8.702 1.00 0.00 C ATOM 261 O3' DT A 9 -2.993 -0.635 9.666 1.00 0.00 O ATOM 262 C2' DT A 9 -2.093 -1.824 7.703 1.00 0.00 C ATOM 263 C1' DT A 9 -1.681 -1.219 6.357 1.00 0.00 C ATOM 264 N1 DT A 9 -0.573 -1.980 5.720 1.00 0.00 N ATOM 265 C2 DT A 9 -0.754 -2.467 4.425 1.00 0.00 C ATOM 266 O2 DT A 9 -1.801 -2.336 3.794 1.00 0.00 O ATOM 267 N3 DT A 9 0.339 -3.097 3.844 1.00 0.00 N ATOM 268 C4 DT A 9 1.562 -3.331 4.454 1.00 0.00 C ATOM 269 O4 DT A 9 2.442 -3.941 3.852 1.00 0.00 O ATOM 270 C5 DT A 9 1.676 -2.781 5.795 1.00 0.00 C ATOM 271 C7 DT A 9 2.979 -2.929 6.558 1.00 0.00 C ATOM 272 C6 DT A 9 0.631 -2.133 6.370 1.00 0.00 C ATOM 0 H5' DT A 9 -1.661 2.653 7.630 1.00 0.00 H new ATOM 0 H5'' DT A 9 -1.941 2.079 9.262 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.063 0.783 7.569 1.00 0.00 H new ATOM 0 H3' DT A 9 -1.052 -0.739 9.312 1.00 0.00 H new ATOM 0 H2' DT A 9 -1.453 -2.664 7.973 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.116 -2.200 7.672 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.510 -1.260 5.651 1.00 0.00 H new ATOM 0 H3 DT A 9 0.232 -3.417 2.881 1.00 0.00 H new ATOM 0 H71 DT A 9 3.103 -2.083 7.234 1.00 0.00 H new ATOM 0 H72 DT A 9 2.960 -3.854 7.134 1.00 0.00 H new ATOM 0 H73 DT A 9 3.811 -2.956 5.855 1.00 0.00 H new ATOM 0 H6 DT A 9 0.747 -1.727 7.364 1.00 0.00 H new ATOM 285 P DG A 10 -3.343 -1.892 10.628 1.00 0.00 P ATOM 286 OP1 DG A 10 -4.077 -1.379 11.807 1.00 0.00 O ATOM 287 OP2 DG A 10 -2.116 -2.697 10.818 1.00 0.00 O ATOM 288 O5' DG A 10 -4.377 -2.749 9.730 1.00 0.00 O ATOM 289 C5' DG A 10 -5.630 -2.209 9.350 1.00 0.00 C ATOM 290 C4' DG A 10 -6.271 -3.016 8.214 1.00 0.00 C ATOM 291 O4' DG A 10 -5.315 -3.217 7.182 1.00 0.00 O ATOM 292 C3' DG A 10 -6.806 -4.393 8.625 1.00 0.00 C ATOM 293 O3' DG A 10 -8.006 -4.594 7.892 1.00 0.00 O ATOM 294 C2' DG A 10 -5.656 -5.299 8.194 1.00 0.00 C ATOM 295 C1' DG A 10 -5.190 -4.601 6.920 1.00 0.00 C ATOM 296 N9 DG A 10 -3.802 -4.954 6.521 1.00 0.00 N ATOM 297 C8 DG A 10 -2.722 -5.285 7.305 1.00 0.00 C ATOM 298 N7 DG A 10 -1.643 -5.581 6.636 1.00 0.00 N ATOM 299 C5 DG A 10 -2.025 -5.450 5.307 1.00 0.00 C ATOM 300 C6 DG A 10 -1.290 -5.706 4.109 1.00 0.00 C ATOM 301 O6 DG A 10 -0.131 -6.100 3.998 1.00 0.00 O ATOM 302 N1 DG A 10 -2.039 -5.461 2.960 1.00 0.00 N ATOM 303 C2 DG A 10 -3.357 -5.046 2.970 1.00 0.00 C ATOM 304 N2 DG A 10 -3.961 -4.919 1.788 1.00 0.00 N ATOM 305 N3 DG A 10 -4.057 -4.829 4.093 1.00 0.00 N ATOM 306 C4 DG A 10 -3.339 -5.047 5.227 1.00 0.00 C ATOM 0 H5' DG A 10 -5.500 -1.174 9.034 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.298 -2.198 10.211 1.00 0.00 H new ATOM 0 H4' DG A 10 -7.126 -2.424 7.888 1.00 0.00 H new ATOM 0 H3' DG A 10 -7.059 -4.553 9.673 1.00 0.00 H new ATOM 0 H2' DG A 10 -4.869 -5.351 8.946 1.00 0.00 H new ATOM 0 H2'' DG A 10 -5.985 -6.321 8.006 1.00 0.00 H new ATOM 0 H1' DG A 10 -5.798 -4.920 6.073 1.00 0.00 H new ATOM 0 H8 DG A 10 -2.764 -5.299 8.384 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.587 -5.596 2.056 1.00 0.00 H new ATOM 0 H21 DG A 10 -4.934 -4.616 1.742 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.450 -5.125 0.930 1.00 0.00 H new ATOM 318 P DG A 11 -8.799 -5.998 7.821 1.00 0.00 P ATOM 319 OP1 DG A 11 -10.247 -5.707 7.724 1.00 0.00 O ATOM 320 OP2 DG A 11 -8.298 -6.895 8.886 1.00 0.00 O ATOM 321 O5' DG A 11 -8.304 -6.561 6.392 1.00 0.00 O ATOM 322 C5' DG A 11 -8.653 -5.888 5.195 1.00 0.00 C ATOM 323 C4' DG A 11 -8.059 -6.594 3.976 1.00 0.00 C ATOM 324 O4' DG A 11 -6.644 -6.595 4.043 1.00 0.00 O ATOM 325 C3' DG A 11 -8.508 -8.059 3.847 1.00 0.00 C ATOM 326 O3' DG A 11 -9.110 -8.276 2.588 1.00 0.00 O ATOM 327 C2' DG A 11 -7.194 -8.830 3.921 1.00 0.00 C ATOM 328 C1' DG A 11 -6.216 -7.779 3.410 1.00 0.00 C ATOM 329 N9 DG A 11 -4.814 -8.107 3.745 1.00 0.00 N ATOM 330 C8 DG A 11 -4.216 -8.189 4.976 1.00 0.00 C ATOM 331 N7 DG A 11 -2.951 -8.501 4.936 1.00 0.00 N ATOM 332 C5 DG A 11 -2.685 -8.644 3.578 1.00 0.00 C ATOM 333 C6 DG A 11 -1.468 -8.970 2.906 1.00 0.00 C ATOM 334 O6 DG A 11 -0.357 -9.163 3.395 1.00 0.00 O ATOM 335 N1 DG A 11 -1.637 -9.065 1.527 1.00 0.00 N ATOM 336 C2 DG A 11 -2.829 -8.840 0.864 1.00 0.00 C ATOM 337 N2 DG A 11 -2.835 -9.009 -0.462 1.00 0.00 N ATOM 338 N3 DG A 11 -3.962 -8.492 1.491 1.00 0.00 N ATOM 339 C4 DG A 11 -3.825 -8.417 2.843 1.00 0.00 C ATOM 0 H5' DG A 11 -8.295 -4.859 5.234 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.738 -5.844 5.101 1.00 0.00 H new ATOM 0 H4' DG A 11 -8.420 -6.036 3.112 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.234 -8.352 4.605 1.00 0.00 H new ATOM 0 H2' DG A 11 -6.961 -9.153 4.936 1.00 0.00 H new ATOM 0 H2'' DG A 11 -7.204 -9.724 3.297 1.00 0.00 H new ATOM 0 HO3' DG A 11 -9.390 -9.212 2.516 1.00 0.00 H new ATOM 0 H1' DG A 11 -6.219 -7.702 2.323 1.00 0.00 H new ATOM 0 H8 DG A 11 -4.747 -8.010 5.899 1.00 0.00 H new ATOM 0 H1 DG A 11 -0.824 -9.319 0.966 1.00 0.00 H new ATOM 0 H21 DG A 11 -3.693 -8.854 -0.992 1.00 0.00 H new ATOM 0 H22 DG A 11 -1.982 -9.293 -0.944 1.00 0.00 H new TER 352 DG A 11 ATOM 353 N THR B 1 -3.694 1.058 -1.607 1.00 0.00 N ATOM 354 CA THR B 1 -5.107 1.436 -1.554 1.00 0.00 C ATOM 355 C THR B 1 -5.767 0.878 -0.294 1.00 0.00 C ATOM 356 O THR B 1 -5.576 -0.293 0.015 1.00 0.00 O ATOM 357 CB THR B 1 -5.868 0.908 -2.790 1.00 0.00 C ATOM 358 OG1 THR B 1 -5.882 -0.521 -2.786 1.00 0.00 O ATOM 359 CG2 THR B 1 -5.245 1.331 -4.123 1.00 0.00 C ATOM 0 H3 THR B 1 -3.271 1.417 -2.487 1.00 0.00 H new ATOM 0 HA THR B 1 -5.153 2.525 -1.541 1.00 0.00 H new ATOM 0 HB THR B 1 -6.867 1.337 -2.714 1.00 0.00 H new ATOM 0 HG21 THR B 1 -5.833 0.923 -4.945 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.233 2.419 -4.190 1.00 0.00 H new ATOM 0 HG23 THR B 1 -4.225 0.952 -4.184 1.00 0.00 H new HETATM 366 N DVA B 2 -6.588 1.681 0.394 1.00 0.00 N HETATM 367 CA DVA B 2 -7.497 1.220 1.438 1.00 0.00 C HETATM 368 CB DVA B 2 -8.861 1.910 1.248 1.00 0.00 C HETATM 369 CG1 DVA B 2 -9.867 1.453 2.311 1.00 0.00 C HETATM 370 CG2 DVA B 2 -9.452 1.605 -0.136 1.00 0.00 C HETATM 371 C DVA B 2 -6.903 1.520 2.824 1.00 0.00 C HETATM 372 O DVA B 2 -6.883 2.684 3.222 1.00 0.00 O HETATM 0 HG23 DVA B 2 -8.772 1.963 -0.909 1.00 0.00 H new HETATM 0 HG22 DVA B 2 -9.590 0.529 -0.244 1.00 0.00 H new HETATM 0 HG21 DVA B 2 -10.414 2.106 -0.239 1.00 0.00 H new HETATM 0 HG13 DVA B 2 -10.010 0.375 2.237 1.00 0.00 H new HETATM 0 HG12 DVA B 2 -9.487 1.702 3.302 1.00 0.00 H new HETATM 0 HG11 DVA B 2 -10.820 1.957 2.151 1.00 0.00 H new HETATM 0 HB DVA B 2 -8.685 2.981 1.344 1.00 0.00 H new HETATM 0 HA DVA B 2 -7.636 0.141 1.368 1.00 0.00 H new HETATM 0 H DVA B 2 -6.909 2.355 -0.301 1.00 0.00 H new ATOM 382 N PRO B 3 -6.428 0.516 3.585 1.00 0.00 N ATOM 383 CA PRO B 3 -6.352 -0.899 3.238 1.00 0.00 C ATOM 384 C PRO B 3 -7.737 -1.566 3.294 1.00 0.00 C ATOM 385 O PRO B 3 -8.567 -1.118 4.086 1.00 0.00 O ATOM 386 CB PRO B 3 -5.418 -1.512 4.284 1.00 0.00 C ATOM 387 CG PRO B 3 -5.679 -0.647 5.515 1.00 0.00 C ATOM 388 CD PRO B 3 -5.875 0.740 4.910 1.00 0.00 C ATOM 0 HA PRO B 3 -5.988 -1.043 2.221 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.650 -2.561 4.469 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.375 -1.467 3.971 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.560 -0.978 6.064 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.842 -0.671 6.212 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.550 1.341 5.519 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -4.930 1.280 4.854 1.00 0.00 H new HETATM 396 N SAR B 4 -8.030 -2.612 2.491 1.00 0.00 N HETATM 397 CA SAR B 4 -7.135 -3.174 1.460 1.00 0.00 C HETATM 398 C SAR B 4 -7.513 -2.657 0.060 1.00 0.00 C HETATM 399 O SAR B 4 -8.522 -1.966 -0.064 1.00 0.00 O HETATM 400 CN SAR B 4 -9.387 -3.164 2.558 1.00 0.00 C HETATM 0 HN3 SAR B 4 -9.893 -3.001 1.607 1.00 0.00 H new HETATM 0 HN2 SAR B 4 -9.335 -4.233 2.763 1.00 0.00 H new HETATM 0 HN1 SAR B 4 -9.942 -2.668 3.354 1.00 0.00 H new HETATM 0 HA3 SAR B 4 -6.103 -2.906 1.684 1.00 0.00 H new HETATM 0 HA2 SAR B 4 -7.193 -4.262 1.477 1.00 0.00 H new HETATM 406 N MVA B 5 -6.737 -2.994 -0.994 1.00 0.00 N HETATM 407 CN MVA B 5 -5.519 -3.783 -0.821 1.00 0.00 C HETATM 408 CA MVA B 5 -7.086 -2.612 -2.373 1.00 0.00 C HETATM 409 CB MVA B 5 -8.385 -3.310 -2.839 1.00 0.00 C HETATM 410 CG1 MVA B 5 -8.653 -3.055 -4.329 1.00 0.00 C HETATM 411 CG2 MVA B 5 -8.297 -4.829 -2.627 1.00 0.00 C HETATM 412 C MVA B 5 -7.111 -1.087 -2.536 1.00 0.00 C HETATM 413 O MVA B 5 -8.186 -0.494 -2.452 1.00 0.00 O HETATM 0 HG23 MVA B 5 -7.460 -5.228 -3.200 1.00 0.00 H new HETATM 0 HG22 MVA B 5 -8.146 -5.040 -1.568 1.00 0.00 H new HETATM 0 HG21 MVA B 5 -9.222 -5.297 -2.962 1.00 0.00 H new HETATM 0 HG13 MVA B 5 -8.755 -1.984 -4.502 1.00 0.00 H new HETATM 0 HG12 MVA B 5 -7.822 -3.441 -4.919 1.00 0.00 H new HETATM 0 HG11 MVA B 5 -9.573 -3.559 -4.625 1.00 0.00 H new HETATM 0 HN3 MVA B 5 -5.610 -4.718 -1.373 1.00 0.00 H new HETATM 0 HN2 MVA B 5 -4.665 -3.221 -1.198 1.00 0.00 H new HETATM 0 HN1 MVA B 5 -5.373 -3.999 0.237 1.00 0.00 H new HETATM 0 HB MVA B 5 -9.196 -2.893 -2.243 1.00 0.00 H new HETATM 0 HA MVA B 5 -6.303 -2.970 -3.041 1.00 0.00 H new HETATM 425 C1 PXZ B 6 -1.465 1.301 -2.410 1.00 0.00 C HETATM 426 C PXZ B 6 -2.752 1.824 -2.181 1.00 0.00 C HETATM 427 O PXZ B 6 -3.000 2.956 -2.592 1.00 0.00 O HETATM 428 C2 PXZ B 6 -1.014 1.111 -3.735 1.00 0.00 C HETATM 429 N2 PXZ B 6 -1.750 1.505 -4.780 1.00 0.00 N HETATM 430 C3 PXZ B 6 0.212 0.479 -3.986 1.00 0.00 C HETATM 431 O3 PXZ B 6 0.623 0.234 -5.334 1.00 0.00 O HETATM 432 C4 PXZ B 6 1.055 0.122 -2.927 1.00 0.00 C HETATM 433 O5 PXZ B 6 1.460 0.004 -0.597 1.00 0.00 O HETATM 434 C6 PXZ B 6 1.881 -0.264 1.717 1.00 0.00 C HETATM 435 C7 PXZ B 6 1.419 -0.201 3.037 1.00 0.00 C HETATM 436 C8 PXZ B 6 0.145 0.315 3.309 1.00 0.00 C HETATM 437 C9 PXZ B 6 -0.648 0.875 2.291 1.00 0.00 C HETATM 438 C' PXZ B 6 -1.887 1.453 2.640 1.00 0.00 C HETATM 439 O' PXZ B 6 -2.582 0.850 3.459 1.00 0.00 O HETATM 440 N10 PXZ B 6 -1.000 1.143 -0.066 1.00 0.00 N HETATM 441 C11 PXZ B 6 -0.621 0.938 -1.341 1.00 0.00 C HETATM 442 C12 PXZ B 6 0.640 0.353 -1.604 1.00 0.00 C HETATM 443 C13 PXZ B 6 1.051 0.181 0.672 1.00 0.00 C HETATM 444 C14 PXZ B 6 -0.207 0.768 0.954 1.00 0.00 C HETATM 445 C15 PXZ B 6 2.407 -0.503 -3.218 1.00 0.00 C HETATM 446 C16 PXZ B 6 3.253 -0.842 1.425 1.00 0.00 C HETATM 0 HN22 PXZ B 6 -1.407 1.359 -5.729 1.00 0.00 H new HETATM 0 HN21 PXZ B 6 -2.654 1.952 -4.627 1.00 0.00 H new HETATM 0 H163 PXZ B 6 4.012 -0.257 1.944 1.00 0.00 H new HETATM 0 H162 PXZ B 6 3.293 -1.875 1.769 1.00 0.00 H new HETATM 0 H161 PXZ B 6 3.441 -0.810 0.352 1.00 0.00 H new HETATM 0 H153 PXZ B 6 2.267 -1.432 -3.771 1.00 0.00 H new HETATM 0 H152 PXZ B 6 3.006 0.186 -3.813 1.00 0.00 H new HETATM 0 H151 PXZ B 6 2.920 -0.713 -2.280 1.00 0.00 H new HETATM 0 H8 PXZ B 6 -0.239 0.282 4.329 1.00 0.00 H new HETATM 0 H7 PXZ B 6 2.050 -0.553 3.853 1.00 0.00 H new ATOM 457 N THR B 7 -2.275 2.639 2.138 1.00 0.00 N ATOM 458 CA THR B 7 -3.525 3.298 2.540 1.00 0.00 C ATOM 459 C THR B 7 -4.245 3.969 1.367 1.00 0.00 C ATOM 460 O THR B 7 -3.727 4.020 0.257 1.00 0.00 O ATOM 461 CB THR B 7 -3.290 4.339 3.656 1.00 0.00 C ATOM 462 OG1 THR B 7 -2.598 5.485 3.144 1.00 0.00 O ATOM 463 CG2 THR B 7 -2.522 3.767 4.852 1.00 0.00 C ATOM 0 HA THR B 7 -4.164 2.501 2.920 1.00 0.00 H new ATOM 0 HB THR B 7 -4.278 4.633 4.011 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.387 4.545 5.604 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.085 2.939 5.283 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.547 3.409 4.521 1.00 0.00 H new HETATM 470 N DVA B 8 -5.431 4.522 1.651 1.00 0.00 N HETATM 471 CA DVA B 8 -6.078 5.589 0.890 1.00 0.00 C HETATM 472 CB DVA B 8 -7.340 6.062 1.640 1.00 0.00 C HETATM 473 CG1 DVA B 8 -8.001 7.236 0.906 1.00 0.00 C HETATM 474 CG2 DVA B 8 -7.013 6.521 3.069 1.00 0.00 C HETATM 475 C DVA B 8 -6.406 5.134 -0.539 1.00 0.00 C HETATM 476 O DVA B 8 -7.286 4.293 -0.710 1.00 0.00 O HETATM 0 HG23 DVA B 8 -6.574 5.693 3.625 1.00 0.00 H new HETATM 0 HG22 DVA B 8 -6.306 7.349 3.032 1.00 0.00 H new HETATM 0 HG21 DVA B 8 -7.927 6.847 3.565 1.00 0.00 H new HETATM 0 HG13 DVA B 8 -7.298 8.067 0.842 1.00 0.00 H new HETATM 0 HG12 DVA B 8 -8.286 6.923 -0.099 1.00 0.00 H new HETATM 0 HG11 DVA B 8 -8.889 7.553 1.453 1.00 0.00 H new HETATM 0 HB DVA B 8 -8.017 5.208 1.679 1.00 0.00 H new HETATM 0 HA DVA B 8 -5.390 6.430 0.801 1.00 0.00 H new HETATM 0 H DVA B 8 -5.834 4.209 2.534 1.00 0.00 H new ATOM 486 N PRO B 9 -5.731 5.668 -1.573 1.00 0.00 N ATOM 487 CA PRO B 9 -4.597 6.581 -1.505 1.00 0.00 C ATOM 488 C PRO B 9 -5.063 8.040 -1.371 1.00 0.00 C ATOM 489 O PRO B 9 -6.202 8.339 -1.729 1.00 0.00 O ATOM 490 CB PRO B 9 -3.874 6.386 -2.836 1.00 0.00 C ATOM 491 CG PRO B 9 -5.036 6.143 -3.795 1.00 0.00 C ATOM 492 CD PRO B 9 -5.995 5.303 -2.953 1.00 0.00 C ATOM 0 HA PRO B 9 -3.965 6.378 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.291 7.263 -3.116 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.186 5.541 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.494 7.077 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.716 5.615 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -7.032 5.507 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -5.828 4.238 -3.115 1.00 0.00 H new HETATM 500 N SAR B 10 -4.213 8.965 -0.882 1.00 0.00 N HETATM 501 CA SAR B 10 -2.906 8.635 -0.290 1.00 0.00 C HETATM 502 C SAR B 10 -3.067 8.362 1.212 1.00 0.00 C HETATM 503 O SAR B 10 -4.183 8.467 1.720 1.00 0.00 O HETATM 504 CN SAR B 10 -4.674 10.352 -0.777 1.00 0.00 C HETATM 0 HN3 SAR B 10 -4.756 10.629 0.274 1.00 0.00 H new HETATM 0 HN2 SAR B 10 -3.960 11.011 -1.271 1.00 0.00 H new HETATM 0 HN1 SAR B 10 -5.649 10.449 -1.255 1.00 0.00 H new HETATM 0 HA3 SAR B 10 -2.484 7.760 -0.784 1.00 0.00 H new HETATM 0 HA2 SAR B 10 -2.208 9.458 -0.446 1.00 0.00 H new HETATM 510 N MVA B 11 -1.986 8.044 1.951 1.00 0.00 N HETATM 511 CN MVA B 11 -0.642 7.824 1.415 1.00 0.00 C HETATM 512 CA MVA B 11 -2.085 7.893 3.407 1.00 0.00 C HETATM 513 CB MVA B 11 -2.529 9.202 4.106 1.00 0.00 C HETATM 514 CG1 MVA B 11 -2.152 9.155 5.598 1.00 0.00 C HETATM 515 CG2 MVA B 11 -1.845 10.442 3.509 1.00 0.00 C HETATM 516 C MVA B 11 -2.947 6.667 3.764 1.00 0.00 C HETATM 517 O MVA B 11 -3.888 6.815 4.544 1.00 0.00 O HETATM 0 HG23 MVA B 11 -0.765 10.350 3.619 1.00 0.00 H new HETATM 0 HG22 MVA B 11 -2.096 10.522 2.451 1.00 0.00 H new HETATM 0 HG21 MVA B 11 -2.189 11.334 4.032 1.00 0.00 H new HETATM 0 HG13 MVA B 11 -2.649 8.309 6.072 1.00 0.00 H new HETATM 0 HG12 MVA B 11 -1.072 9.044 5.697 1.00 0.00 H new HETATM 0 HG11 MVA B 11 -2.468 10.079 6.082 1.00 0.00 H new HETATM 0 HN3 MVA B 11 0.048 8.542 1.858 1.00 0.00 H new HETATM 0 HN2 MVA B 11 -0.316 6.812 1.654 1.00 0.00 H new HETATM 0 HN1 MVA B 11 -0.656 7.955 0.333 1.00 0.00 H new HETATM 0 HB MVA B 11 -3.607 9.278 3.963 1.00 0.00 H new HETATM 0 HA MVA B 11 -1.088 7.698 3.803 1.00 0.00 H new TER 529 MVA B 11