USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=2 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 Set 1.1: A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 1.2: A 7 DT C7 :methyl 150:sc= 0 (180deg=0) 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 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+ 180:sc= -0.0167 (180deg=-0.0167) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.071 -12.914 -6.388 1.00 0.00 O ATOM 2 C5' DC A 1 4.123 -12.668 -4.999 1.00 0.00 C ATOM 3 C4' DC A 1 2.778 -12.123 -4.509 1.00 0.00 C ATOM 4 O4' DC A 1 2.792 -11.968 -3.102 1.00 0.00 O ATOM 5 C3' DC A 1 2.435 -10.748 -5.110 1.00 0.00 C ATOM 6 O3' DC A 1 1.301 -10.875 -5.952 1.00 0.00 O ATOM 7 C2' DC A 1 2.162 -9.879 -3.881 1.00 0.00 C ATOM 8 C1' DC A 1 1.886 -10.927 -2.811 1.00 0.00 C ATOM 9 N1 DC A 1 2.044 -10.394 -1.429 1.00 0.00 N ATOM 10 C2 DC A 1 0.895 -10.066 -0.705 1.00 0.00 C ATOM 11 O2 DC A 1 -0.222 -10.120 -1.213 1.00 0.00 O ATOM 12 N3 DC A 1 1.036 -9.655 0.587 1.00 0.00 N ATOM 13 C4 DC A 1 2.242 -9.559 1.162 1.00 0.00 C ATOM 14 N4 DC A 1 2.316 -9.141 2.430 1.00 0.00 N ATOM 15 C5 DC A 1 3.437 -9.893 0.440 1.00 0.00 C ATOM 16 C6 DC A 1 3.285 -10.306 -0.842 1.00 0.00 C ATOM 0 H5' DC A 1 4.916 -11.953 -4.778 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.366 -13.588 -4.468 1.00 0.00 H new ATOM 0 H4' DC A 1 2.031 -12.850 -4.828 1.00 0.00 H new ATOM 0 H3' DC A 1 3.219 -10.317 -5.733 1.00 0.00 H new ATOM 0 H2' DC A 1 3.016 -9.251 -3.627 1.00 0.00 H new ATOM 0 H2'' DC A 1 1.311 -9.215 -4.031 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.936 -13.260 -6.691 1.00 0.00 H new ATOM 0 H1' DC A 1 0.851 -11.270 -2.832 1.00 0.00 H new ATOM 0 H41 DC A 1 3.224 -9.060 2.888 1.00 0.00 H new ATOM 0 H42 DC A 1 1.465 -8.903 2.939 1.00 0.00 H new ATOM 0 H5 DC A 1 4.413 -9.819 0.897 1.00 0.00 H new ATOM 0 H6 DC A 1 4.160 -10.573 -1.417 1.00 0.00 H new ATOM 29 P DC A 2 0.760 -9.655 -6.867 1.00 0.00 P ATOM 30 OP1 DC A 2 0.037 -10.240 -8.018 1.00 0.00 O ATOM 31 OP2 DC A 2 1.884 -8.723 -7.108 1.00 0.00 O ATOM 32 O5' DC A 2 -0.313 -8.907 -5.921 1.00 0.00 O ATOM 33 C5' DC A 2 -1.581 -9.474 -5.644 1.00 0.00 C ATOM 34 C4' DC A 2 -2.437 -8.502 -4.824 1.00 0.00 C ATOM 35 O4' DC A 2 -1.866 -8.295 -3.546 1.00 0.00 O ATOM 36 C3' DC A 2 -2.577 -7.124 -5.494 1.00 0.00 C ATOM 37 O3' DC A 2 -3.954 -6.833 -5.686 1.00 0.00 O ATOM 38 C2' DC A 2 -1.935 -6.182 -4.475 1.00 0.00 C ATOM 39 C1' DC A 2 -2.129 -6.957 -3.176 1.00 0.00 C ATOM 40 N1 DC A 2 -1.205 -6.546 -2.082 1.00 0.00 N ATOM 41 C2 DC A 2 -1.744 -6.017 -0.907 1.00 0.00 C ATOM 42 O2 DC A 2 -2.901 -5.607 -0.868 1.00 0.00 O ATOM 43 N3 DC A 2 -0.964 -5.980 0.213 1.00 0.00 N ATOM 44 C4 DC A 2 0.321 -6.369 0.170 1.00 0.00 C ATOM 45 N4 DC A 2 1.026 -6.402 1.305 1.00 0.00 N ATOM 46 C5 DC A 2 0.933 -6.784 -1.061 1.00 0.00 C ATOM 47 C6 DC A 2 0.130 -6.865 -2.148 1.00 0.00 C ATOM 0 H5' DC A 2 -1.456 -10.408 -5.097 1.00 0.00 H new ATOM 0 H5'' DC A 2 -2.089 -9.717 -6.577 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.422 -8.963 -4.748 1.00 0.00 H new ATOM 0 H3' DC A 2 -2.111 -7.048 -6.476 1.00 0.00 H new ATOM 0 H2' DC A 2 -0.882 -6.001 -4.691 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.427 -5.210 -4.449 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.126 -6.783 -2.771 1.00 0.00 H new ATOM 0 H41 DC A 2 2.003 -6.695 1.290 1.00 0.00 H new ATOM 0 H42 DC A 2 0.587 -6.134 2.186 1.00 0.00 H new ATOM 0 H5 DC A 2 1.985 -7.021 -1.117 1.00 0.00 H new ATOM 0 H6 DC A 2 0.549 -7.188 -3.090 1.00 0.00 H new ATOM 59 P DG A 3 -4.467 -5.925 -6.922 1.00 0.00 P ATOM 60 OP1 DG A 3 -5.947 -5.970 -6.932 1.00 0.00 O ATOM 61 OP2 DG A 3 -3.719 -6.319 -8.137 1.00 0.00 O ATOM 62 O5' DG A 3 -4.010 -4.436 -6.510 1.00 0.00 O ATOM 63 C5' DG A 3 -4.910 -3.530 -5.903 1.00 0.00 C ATOM 64 C4' DG A 3 -4.171 -2.312 -5.342 1.00 0.00 C ATOM 65 O4' DG A 3 -3.528 -2.692 -4.132 1.00 0.00 O ATOM 66 C3' DG A 3 -3.101 -1.739 -6.297 1.00 0.00 C ATOM 67 O3' DG A 3 -3.296 -0.352 -6.548 1.00 0.00 O ATOM 68 C2' DG A 3 -1.828 -1.994 -5.492 1.00 0.00 C ATOM 69 C1' DG A 3 -2.338 -1.947 -4.051 1.00 0.00 C ATOM 70 N9 DG A 3 -1.384 -2.483 -3.043 1.00 0.00 N ATOM 71 C8 DG A 3 -0.193 -3.143 -3.243 1.00 0.00 C ATOM 72 N7 DG A 3 0.456 -3.429 -2.152 1.00 0.00 N ATOM 73 C5 DG A 3 -0.350 -2.925 -1.143 1.00 0.00 C ATOM 74 C6 DG A 3 -0.142 -2.924 0.270 1.00 0.00 C ATOM 75 O6 DG A 3 0.815 -3.351 0.910 1.00 0.00 O ATOM 76 N1 DG A 3 -1.200 -2.347 0.953 1.00 0.00 N ATOM 77 C2 DG A 3 -2.308 -1.790 0.358 1.00 0.00 C ATOM 78 N2 DG A 3 -3.191 -1.254 1.203 1.00 0.00 N ATOM 79 N3 DG A 3 -2.498 -1.753 -0.975 1.00 0.00 N ATOM 80 C4 DG A 3 -1.486 -2.350 -1.672 1.00 0.00 C ATOM 0 H5' DG A 3 -5.451 -4.032 -5.101 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.651 -3.205 -6.633 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.918 -1.532 -5.191 1.00 0.00 H new ATOM 0 H3' DG A 3 -3.105 -2.187 -7.291 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.380 -2.958 -5.734 1.00 0.00 H new ATOM 0 H2'' DG A 3 -1.069 -1.234 -5.680 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.480 -0.927 -3.694 1.00 0.00 H new ATOM 0 H8 DG A 3 0.173 -3.402 -4.225 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.154 -2.334 1.972 1.00 0.00 H new ATOM 0 H21 DG A 3 -4.041 -0.820 0.844 1.00 0.00 H new ATOM 0 H22 DG A 3 -3.015 -1.279 2.207 1.00 0.00 H new ATOM 92 P DT A 4 -2.639 0.376 -7.847 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.471 0.059 -9.027 1.00 0.00 O ATOM 94 OP2 DT A 4 -1.192 0.065 -7.863 1.00 0.00 O ATOM 95 O5' DT A 4 -2.770 1.957 -7.542 1.00 0.00 O ATOM 96 C5' DT A 4 -4.022 2.620 -7.524 1.00 0.00 C ATOM 97 C4' DT A 4 -3.919 3.986 -6.824 1.00 0.00 C ATOM 98 O4' DT A 4 -2.937 3.893 -5.799 1.00 0.00 O ATOM 99 C3' DT A 4 -3.522 5.169 -7.724 1.00 0.00 C ATOM 100 O3' DT A 4 -4.062 6.376 -7.202 1.00 0.00 O ATOM 101 C2' DT A 4 -2.007 5.123 -7.610 1.00 0.00 C ATOM 102 C1' DT A 4 -1.819 4.695 -6.148 1.00 0.00 C ATOM 103 N1 DT A 4 -0.513 4.025 -5.848 1.00 0.00 N ATOM 104 C2 DT A 4 -0.021 4.114 -4.542 1.00 0.00 C ATOM 105 O2 DT A 4 -0.621 4.671 -3.623 1.00 0.00 O ATOM 106 N3 DT A 4 1.210 3.515 -4.302 1.00 0.00 N ATOM 107 C4 DT A 4 1.978 2.821 -5.223 1.00 0.00 C ATOM 108 O4 DT A 4 3.074 2.370 -4.898 1.00 0.00 O ATOM 109 C5 DT A 4 1.357 2.682 -6.524 1.00 0.00 C ATOM 110 C7 DT A 4 2.042 1.866 -7.604 1.00 0.00 C ATOM 111 C6 DT A 4 0.165 3.270 -6.787 1.00 0.00 C ATOM 0 H5' DT A 4 -4.757 2.000 -7.011 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.378 2.758 -8.545 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.924 4.196 -6.460 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.881 5.119 -8.752 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.565 4.409 -8.306 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.551 6.092 -7.815 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.772 5.591 -5.529 1.00 0.00 H new ATOM 0 H3 DT A 4 1.584 3.594 -3.356 1.00 0.00 H new ATOM 0 H71 DT A 4 1.290 1.425 -8.259 1.00 0.00 H new ATOM 0 H72 DT A 4 2.698 2.512 -8.187 1.00 0.00 H new ATOM 0 H73 DT A 4 2.631 1.073 -7.143 1.00 0.00 H new ATOM 0 H6 DT A 4 -0.272 3.144 -7.767 1.00 0.00 H new ATOM 124 P DT A 5 -3.799 7.824 -7.888 1.00 0.00 P ATOM 125 OP1 DT A 5 -5.064 8.590 -7.837 1.00 0.00 O ATOM 126 OP2 DT A 5 -3.118 7.620 -9.186 1.00 0.00 O ATOM 127 O5' DT A 5 -2.750 8.515 -6.868 1.00 0.00 O ATOM 128 C5' DT A 5 -3.200 9.072 -5.646 1.00 0.00 C ATOM 129 C4' DT A 5 -2.063 9.254 -4.637 1.00 0.00 C ATOM 130 O4' DT A 5 -1.247 8.097 -4.564 1.00 0.00 O ATOM 131 C3' DT A 5 -1.129 10.460 -4.859 1.00 0.00 C ATOM 132 O3' DT A 5 -1.442 11.444 -3.879 1.00 0.00 O ATOM 133 C2' DT A 5 0.259 9.826 -4.700 1.00 0.00 C ATOM 134 C1' DT A 5 -0.054 8.529 -3.958 1.00 0.00 C ATOM 135 N1 DT A 5 1.027 7.504 -4.014 1.00 0.00 N ATOM 136 C2 DT A 5 1.350 6.832 -2.834 1.00 0.00 C ATOM 137 O2 DT A 5 0.727 6.967 -1.784 1.00 0.00 O ATOM 138 N3 DT A 5 2.439 5.974 -2.892 1.00 0.00 N ATOM 139 C4 DT A 5 3.229 5.732 -4.005 1.00 0.00 C ATOM 140 O4 DT A 5 4.228 5.025 -3.909 1.00 0.00 O ATOM 141 C5 DT A 5 2.751 6.365 -5.220 1.00 0.00 C ATOM 142 C7 DT A 5 3.444 6.082 -6.538 1.00 0.00 C ATOM 143 C6 DT A 5 1.692 7.213 -5.186 1.00 0.00 C ATOM 0 H5' DT A 5 -3.965 8.427 -5.215 1.00 0.00 H new ATOM 0 H5'' DT A 5 -3.669 10.037 -5.840 1.00 0.00 H new ATOM 0 H4' DT A 5 -2.604 9.442 -3.710 1.00 0.00 H new ATOM 0 H3' DT A 5 -1.210 10.976 -5.816 1.00 0.00 H new ATOM 0 H2' DT A 5 0.732 9.638 -5.664 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.935 10.466 -4.132 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.146 8.692 -2.884 1.00 0.00 H new ATOM 0 H3 DT A 5 2.681 5.475 -2.036 1.00 0.00 H new ATOM 0 H71 DT A 5 2.723 6.160 -7.352 1.00 0.00 H new ATOM 0 H72 DT A 5 4.244 6.806 -6.691 1.00 0.00 H new ATOM 0 H73 DT A 5 3.863 5.076 -6.520 1.00 0.00 H new ATOM 0 H6 DT A 5 1.360 7.674 -6.105 1.00 0.00 H new ATOM 156 P DT A 6 -0.493 12.709 -3.515 1.00 0.00 P ATOM 157 OP1 DT A 6 -1.357 13.813 -3.043 1.00 0.00 O ATOM 158 OP2 DT A 6 0.454 12.938 -4.630 1.00 0.00 O ATOM 159 O5' DT A 6 0.330 12.137 -2.244 1.00 0.00 O ATOM 160 C5' DT A 6 -0.346 11.824 -1.038 1.00 0.00 C ATOM 161 C4' DT A 6 0.448 10.853 -0.155 1.00 0.00 C ATOM 162 O4' DT A 6 1.122 9.881 -0.953 1.00 0.00 O ATOM 163 C3' DT A 6 1.491 11.487 0.782 1.00 0.00 C ATOM 164 O3' DT A 6 1.301 10.931 2.081 1.00 0.00 O ATOM 165 C2' DT A 6 2.789 11.018 0.142 1.00 0.00 C ATOM 166 C1' DT A 6 2.368 9.632 -0.336 1.00 0.00 C ATOM 167 N1 DT A 6 3.378 8.995 -1.228 1.00 0.00 N ATOM 168 C2 DT A 6 3.851 7.720 -0.901 1.00 0.00 C ATOM 169 O2 DT A 6 3.337 7.002 -0.046 1.00 0.00 O ATOM 170 N3 DT A 6 4.934 7.257 -1.638 1.00 0.00 N ATOM 171 C4 DT A 6 5.502 7.891 -2.733 1.00 0.00 C ATOM 172 O4 DT A 6 6.434 7.365 -3.336 1.00 0.00 O ATOM 173 C5 DT A 6 4.893 9.165 -3.069 1.00 0.00 C ATOM 174 C7 DT A 6 5.400 9.936 -4.272 1.00 0.00 C ATOM 175 C6 DT A 6 3.876 9.665 -2.322 1.00 0.00 C ATOM 0 H5' DT A 6 -1.316 11.386 -1.272 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.536 12.743 -0.483 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.319 10.412 0.482 1.00 0.00 H new ATOM 0 H3' DT A 6 1.450 12.570 0.898 1.00 0.00 H new ATOM 0 H2' DT A 6 3.105 11.663 -0.678 1.00 0.00 H new ATOM 0 H2'' DT A 6 3.614 10.980 0.854 1.00 0.00 H new ATOM 0 H1' DT A 6 2.288 8.900 0.468 1.00 0.00 H new ATOM 0 H3 DT A 6 5.349 6.371 -1.348 1.00 0.00 H new ATOM 0 H71 DT A 6 4.585 10.521 -4.699 1.00 0.00 H new ATOM 0 H72 DT A 6 6.204 10.605 -3.963 1.00 0.00 H new ATOM 0 H73 DT A 6 5.776 9.238 -5.020 1.00 0.00 H new ATOM 0 H6 DT A 6 3.445 10.617 -2.594 1.00 0.00 H new ATOM 188 P DT A 7 2.273 11.248 3.342 1.00 0.00 P ATOM 189 OP1 DT A 7 1.515 10.970 4.582 1.00 0.00 O ATOM 190 OP2 DT A 7 2.879 12.582 3.137 1.00 0.00 O ATOM 191 O5' DT A 7 3.444 10.138 3.217 1.00 0.00 O ATOM 192 C5' DT A 7 3.175 8.756 3.376 1.00 0.00 C ATOM 193 C4' DT A 7 4.387 7.910 2.966 1.00 0.00 C ATOM 194 O4' DT A 7 4.976 8.400 1.776 1.00 0.00 O ATOM 195 C3' DT A 7 5.511 7.844 4.014 1.00 0.00 C ATOM 196 O3' DT A 7 5.661 6.483 4.374 1.00 0.00 O ATOM 197 C2' DT A 7 6.755 8.277 3.229 1.00 0.00 C ATOM 198 C1' DT A 7 6.313 7.957 1.800 1.00 0.00 C ATOM 199 N1 DT A 7 7.127 8.565 0.707 1.00 0.00 N ATOM 200 C2 DT A 7 7.936 7.719 -0.058 1.00 0.00 C ATOM 201 O2 DT A 7 8.141 6.541 0.227 1.00 0.00 O ATOM 202 N3 DT A 7 8.516 8.273 -1.192 1.00 0.00 N ATOM 203 C4 DT A 7 8.348 9.574 -1.642 1.00 0.00 C ATOM 204 O4 DT A 7 8.881 9.938 -2.687 1.00 0.00 O ATOM 205 C5 DT A 7 7.516 10.398 -0.783 1.00 0.00 C ATOM 206 C7 DT A 7 7.229 11.839 -1.156 1.00 0.00 C ATOM 207 C6 DT A 7 6.950 9.878 0.335 1.00 0.00 C ATOM 0 H5' DT A 7 2.312 8.478 2.772 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.917 8.549 4.415 1.00 0.00 H new ATOM 0 H4' DT A 7 3.970 6.911 2.840 1.00 0.00 H new ATOM 0 H3' DT A 7 5.334 8.447 4.905 1.00 0.00 H new ATOM 0 H2' DT A 7 6.983 9.334 3.365 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.644 7.719 3.522 1.00 0.00 H new ATOM 0 H1' DT A 7 6.444 6.896 1.589 1.00 0.00 H new ATOM 0 H3 DT A 7 9.122 7.667 -1.745 1.00 0.00 H new ATOM 0 H71 DT A 7 6.251 12.127 -0.769 1.00 0.00 H new ATOM 0 H72 DT A 7 7.994 12.485 -0.726 1.00 0.00 H new ATOM 0 H73 DT A 7 7.235 11.942 -2.241 1.00 0.00 H new ATOM 0 H6 DT A 7 6.339 10.517 0.955 1.00 0.00 H new ATOM 220 P DG A 8 6.025 5.975 5.860 1.00 0.00 P ATOM 221 OP1 DG A 8 6.016 7.111 6.809 1.00 0.00 O ATOM 222 OP2 DG A 8 7.206 5.087 5.771 1.00 0.00 O ATOM 223 O5' DG A 8 4.714 5.065 6.095 1.00 0.00 O ATOM 224 C5' DG A 8 3.528 5.555 6.698 1.00 0.00 C ATOM 225 C4' DG A 8 2.318 4.989 5.946 1.00 0.00 C ATOM 226 O4' DG A 8 2.520 4.945 4.547 1.00 0.00 O ATOM 227 C3' DG A 8 1.894 3.591 6.409 1.00 0.00 C ATOM 228 O3' DG A 8 0.797 3.646 7.310 1.00 0.00 O ATOM 229 C2' DG A 8 1.458 2.952 5.092 1.00 0.00 C ATOM 230 C1' DG A 8 1.576 4.035 4.026 1.00 0.00 C ATOM 231 N9 DG A 8 2.033 3.532 2.709 1.00 0.00 N ATOM 232 C8 DG A 8 3.256 2.992 2.415 1.00 0.00 C ATOM 233 N7 DG A 8 3.473 2.806 1.145 1.00 0.00 N ATOM 234 C5 DG A 8 2.308 3.260 0.541 1.00 0.00 C ATOM 235 C6 DG A 8 1.983 3.357 -0.846 1.00 0.00 C ATOM 236 O6 DG A 8 2.665 3.032 -1.813 1.00 0.00 O ATOM 237 N1 DG A 8 0.728 3.915 -1.059 1.00 0.00 N ATOM 238 C2 DG A 8 -0.128 4.311 -0.054 1.00 0.00 C ATOM 239 N2 DG A 8 -1.279 4.850 -0.458 1.00 0.00 N ATOM 240 N3 DG A 8 0.154 4.190 1.256 1.00 0.00 N ATOM 241 C4 DG A 8 1.401 3.682 1.489 1.00 0.00 C ATOM 0 H5' DG A 8 3.513 6.645 6.670 1.00 0.00 H new ATOM 0 H5'' DG A 8 3.490 5.263 7.747 1.00 0.00 H new ATOM 0 H4' DG A 8 1.518 5.690 6.186 1.00 0.00 H new ATOM 0 H3' DG A 8 2.679 3.055 6.942 1.00 0.00 H new ATOM 0 H2' DG A 8 2.089 2.097 4.848 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.434 2.584 5.160 1.00 0.00 H new ATOM 0 H1' DG A 8 0.598 4.475 3.830 1.00 0.00 H new ATOM 0 H8 DG A 8 3.982 2.741 3.175 1.00 0.00 H new ATOM 0 H1 DG A 8 0.420 4.040 -2.023 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.963 5.167 0.229 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.475 4.945 -1.454 1.00 0.00 H new ATOM 253 P DT A 9 0.799 2.917 8.761 1.00 0.00 P ATOM 254 OP1 DT A 9 0.115 3.813 9.720 1.00 0.00 O ATOM 255 OP2 DT A 9 2.158 2.418 9.067 1.00 0.00 O ATOM 256 O5' DT A 9 -0.157 1.646 8.498 1.00 0.00 O ATOM 257 C5' DT A 9 -1.546 1.798 8.274 1.00 0.00 C ATOM 258 C4' DT A 9 -2.132 0.503 7.708 1.00 0.00 C ATOM 259 O4' DT A 9 -1.393 0.078 6.582 1.00 0.00 O ATOM 260 C3' DT A 9 -2.096 -0.697 8.655 1.00 0.00 C ATOM 261 O3' DT A 9 -3.165 -0.647 9.587 1.00 0.00 O ATOM 262 C2' DT A 9 -2.207 -1.855 7.662 1.00 0.00 C ATOM 263 C1' DT A 9 -1.775 -1.256 6.320 1.00 0.00 C ATOM 264 N1 DT A 9 -0.654 -2.012 5.698 1.00 0.00 N ATOM 265 C2 DT A 9 -0.806 -2.475 4.390 1.00 0.00 C ATOM 266 O2 DT A 9 -1.843 -2.343 3.743 1.00 0.00 O ATOM 267 N3 DT A 9 0.304 -3.081 3.817 1.00 0.00 N ATOM 268 C4 DT A 9 1.518 -3.315 4.446 1.00 0.00 C ATOM 269 O4 DT A 9 2.415 -3.906 3.849 1.00 0.00 O ATOM 270 C5 DT A 9 1.602 -2.789 5.798 1.00 0.00 C ATOM 271 C7 DT A 9 2.894 -2.938 6.578 1.00 0.00 C ATOM 272 C6 DT A 9 0.540 -2.163 6.366 1.00 0.00 C ATOM 0 H5' DT A 9 -1.723 2.620 7.580 1.00 0.00 H new ATOM 0 H5'' DT A 9 -2.047 2.056 9.207 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.167 0.769 7.494 1.00 0.00 H new ATOM 0 H3' DT A 9 -1.213 -0.762 9.291 1.00 0.00 H new ATOM 0 H2' DT A 9 -1.564 -2.687 7.950 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.226 -2.240 7.615 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.597 -1.307 5.606 1.00 0.00 H new ATOM 0 H3 DT A 9 0.219 -3.381 2.846 1.00 0.00 H new ATOM 0 H71 DT A 9 2.998 -2.104 7.272 1.00 0.00 H new ATOM 0 H72 DT A 9 2.876 -3.874 7.136 1.00 0.00 H new ATOM 0 H73 DT A 9 3.737 -2.943 5.887 1.00 0.00 H new ATOM 0 H6 DT A 9 0.634 -1.773 7.369 1.00 0.00 H new ATOM 285 P DG A 10 -3.531 -1.885 10.567 1.00 0.00 P ATOM 286 OP1 DG A 10 -4.299 -1.353 11.714 1.00 0.00 O ATOM 287 OP2 DG A 10 -2.303 -2.676 10.806 1.00 0.00 O ATOM 288 O5' DG A 10 -4.533 -2.771 9.662 1.00 0.00 O ATOM 289 C5' DG A 10 -5.789 -2.260 9.253 1.00 0.00 C ATOM 290 C4' DG A 10 -6.398 -3.098 8.123 1.00 0.00 C ATOM 291 O4' DG A 10 -5.425 -3.288 7.104 1.00 0.00 O ATOM 292 C3' DG A 10 -6.901 -4.485 8.548 1.00 0.00 C ATOM 293 O3' DG A 10 -8.083 -4.727 7.797 1.00 0.00 O ATOM 294 C2' DG A 10 -5.717 -5.361 8.149 1.00 0.00 C ATOM 295 C1' DG A 10 -5.260 -4.672 6.867 1.00 0.00 C ATOM 296 N9 DG A 10 -3.862 -4.996 6.484 1.00 0.00 N ATOM 297 C8 DG A 10 -2.787 -5.321 7.278 1.00 0.00 C ATOM 298 N7 DG A 10 -1.697 -5.599 6.619 1.00 0.00 N ATOM 299 C5 DG A 10 -2.066 -5.460 5.287 1.00 0.00 C ATOM 300 C6 DG A 10 -1.315 -5.699 4.095 1.00 0.00 C ATOM 301 O6 DG A 10 -0.153 -6.083 3.996 1.00 0.00 O ATOM 302 N1 DG A 10 -2.052 -5.445 2.941 1.00 0.00 N ATOM 303 C2 DG A 10 -3.374 -5.041 2.939 1.00 0.00 C ATOM 304 N2 DG A 10 -3.963 -4.897 1.751 1.00 0.00 N ATOM 305 N3 DG A 10 -4.090 -4.845 4.056 1.00 0.00 N ATOM 306 C4 DG A 10 -3.382 -5.069 5.195 1.00 0.00 C ATOM 0 H5' DG A 10 -5.672 -1.229 8.920 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.471 -2.245 10.103 1.00 0.00 H new ATOM 0 H4' DG A 10 -7.266 -2.534 7.781 1.00 0.00 H new ATOM 0 H3' DG A 10 -7.167 -4.641 9.593 1.00 0.00 H new ATOM 0 H2' DG A 10 -4.938 -5.372 8.911 1.00 0.00 H new ATOM 0 H2'' DG A 10 -6.010 -6.397 7.978 1.00 0.00 H new ATOM 0 H1' DG A 10 -5.852 -5.021 6.021 1.00 0.00 H new ATOM 0 H8 DG A 10 -2.841 -5.344 8.356 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.587 -5.565 2.041 1.00 0.00 H new ATOM 0 H21 DG A 10 -4.938 -4.601 1.698 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.439 -5.083 0.896 1.00 0.00 H new ATOM 318 P DG A 11 -8.834 -6.154 7.715 1.00 0.00 P ATOM 319 OP1 DG A 11 -10.293 -5.906 7.668 1.00 0.00 O ATOM 320 OP2 DG A 11 -8.275 -7.064 8.739 1.00 0.00 O ATOM 321 O5' DG A 11 -8.365 -6.661 6.256 1.00 0.00 O ATOM 322 C5' DG A 11 -8.755 -5.953 5.091 1.00 0.00 C ATOM 323 C4' DG A 11 -8.187 -6.606 3.830 1.00 0.00 C ATOM 324 O4' DG A 11 -6.771 -6.586 3.862 1.00 0.00 O ATOM 325 C3' DG A 11 -8.622 -8.070 3.662 1.00 0.00 C ATOM 326 O3' DG A 11 -9.214 -8.262 2.394 1.00 0.00 O ATOM 327 C2' DG A 11 -7.303 -8.830 3.726 1.00 0.00 C ATOM 328 C1' DG A 11 -6.331 -7.766 3.227 1.00 0.00 C ATOM 329 N9 DG A 11 -4.933 -8.083 3.589 1.00 0.00 N ATOM 330 C8 DG A 11 -4.369 -8.168 4.836 1.00 0.00 C ATOM 331 N7 DG A 11 -3.101 -8.465 4.830 1.00 0.00 N ATOM 332 C5 DG A 11 -2.796 -8.594 3.480 1.00 0.00 C ATOM 333 C6 DG A 11 -1.556 -8.901 2.844 1.00 0.00 C ATOM 334 O6 DG A 11 -0.463 -9.093 3.371 1.00 0.00 O ATOM 335 N1 DG A 11 -1.676 -8.977 1.459 1.00 0.00 N ATOM 336 C2 DG A 11 -2.851 -8.767 0.761 1.00 0.00 C ATOM 337 N2 DG A 11 -2.813 -8.927 -0.566 1.00 0.00 N ATOM 338 N3 DG A 11 -4.010 -8.443 1.356 1.00 0.00 N ATOM 339 C4 DG A 11 -3.916 -8.375 2.712 1.00 0.00 C ATOM 0 H5' DG A 11 -8.409 -4.921 5.157 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.843 -5.921 5.029 1.00 0.00 H new ATOM 0 H4' DG A 11 -8.578 -6.026 2.994 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.351 -8.388 4.408 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.067 -9.163 4.737 1.00 0.00 H new ATOM 0 H2'' DG A 11 -7.306 -9.716 3.091 1.00 0.00 H new ATOM 0 HO3' DG A 11 -9.485 -9.199 2.298 1.00 0.00 H new ATOM 0 H1' DG A 11 -6.327 -7.686 2.140 1.00 0.00 H new ATOM 0 H8 DG A 11 -4.928 -8.003 5.745 1.00 0.00 H new ATOM 0 H1 DG A 11 -0.839 -9.203 0.922 1.00 0.00 H new ATOM 0 H21 DG A 11 -3.656 -8.783 -1.121 1.00 0.00 H new ATOM 0 H22 DG A 11 -1.941 -9.194 -1.023 1.00 0.00 H new TER 352 DG A 11 ATOM 353 N THR B 1 -3.661 1.049 -1.645 1.00 0.00 N ATOM 354 CA THR B 1 -5.074 1.434 -1.602 1.00 0.00 C ATOM 355 C THR B 1 -5.754 0.862 -0.359 1.00 0.00 C ATOM 356 O THR B 1 -5.569 -0.313 -0.062 1.00 0.00 O ATOM 357 CB THR B 1 -5.821 0.928 -2.855 1.00 0.00 C ATOM 358 OG1 THR B 1 -5.843 -0.501 -2.870 1.00 0.00 O ATOM 359 CG2 THR B 1 -5.180 1.362 -4.176 1.00 0.00 C ATOM 0 H3 THR B 1 -3.218 1.448 -2.497 1.00 0.00 H new ATOM 0 HA THR B 1 -5.114 2.523 -1.571 1.00 0.00 H new ATOM 0 HB THR B 1 -6.817 1.365 -2.786 1.00 0.00 H new ATOM 0 HG21 THR B 1 -5.762 0.968 -5.009 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.160 2.450 -4.230 1.00 0.00 H new ATOM 0 HG23 THR B 1 -4.162 0.977 -4.230 1.00 0.00 H new HETATM 366 N DVA B 2 -6.587 1.654 0.327 1.00 0.00 N HETATM 367 CA DVA B 2 -7.508 1.178 1.355 1.00 0.00 C HETATM 368 CB DVA B 2 -8.877 1.856 1.154 1.00 0.00 C HETATM 369 CG1 DVA B 2 -9.892 1.368 2.195 1.00 0.00 C HETATM 370 CG2 DVA B 2 -9.448 1.566 -0.242 1.00 0.00 C HETATM 371 C DVA B 2 -6.937 1.474 2.752 1.00 0.00 C HETATM 372 O DVA B 2 -6.936 2.635 3.160 1.00 0.00 O HETATM 0 HG23 DVA B 2 -8.762 1.942 -1.001 1.00 0.00 H new HETATM 0 HG22 DVA B 2 -9.574 0.491 -0.367 1.00 0.00 H new HETATM 0 HG21 DVA B 2 -10.414 2.059 -0.350 1.00 0.00 H new HETATM 0 HG13 DVA B 2 -10.020 0.290 2.101 1.00 0.00 H new HETATM 0 HG12 DVA B 2 -9.529 1.604 3.195 1.00 0.00 H new HETATM 0 HG11 DVA B 2 -10.849 1.863 2.030 1.00 0.00 H new HETATM 0 HB DVA B 2 -8.713 2.928 1.267 1.00 0.00 H new HETATM 0 HA DVA B 2 -7.636 0.099 1.272 1.00 0.00 H new HETATM 0 H DVA B 2 -6.904 2.330 -0.368 1.00 0.00 H new ATOM 382 N PRO B 3 -6.464 0.469 3.513 1.00 0.00 N ATOM 383 CA PRO B 3 -6.375 -0.942 3.157 1.00 0.00 C ATOM 384 C PRO B 3 -7.759 -1.614 3.187 1.00 0.00 C ATOM 385 O PRO B 3 -8.599 -1.181 3.976 1.00 0.00 O ATOM 386 CB PRO B 3 -5.458 -1.559 4.216 1.00 0.00 C ATOM 387 CG PRO B 3 -5.741 -0.701 5.448 1.00 0.00 C ATOM 388 CD PRO B 3 -5.933 0.688 4.848 1.00 0.00 C ATOM 0 HA PRO B 3 -5.992 -1.078 2.145 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.692 -2.609 4.392 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.410 -1.511 3.921 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.629 -1.038 5.982 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.914 -0.725 6.158 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.620 1.283 5.450 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -4.989 1.232 4.810 1.00 0.00 H new HETATM 396 N SAR B 4 -8.041 -2.648 2.364 1.00 0.00 N HETATM 397 CA SAR B 4 -7.135 -3.194 1.334 1.00 0.00 C HETATM 398 C SAR B 4 -7.508 -2.669 -0.064 1.00 0.00 C HETATM 399 O SAR B 4 -8.517 -1.977 -0.188 1.00 0.00 O HETATM 400 CN SAR B 4 -9.396 -3.205 2.410 1.00 0.00 C HETATM 0 HN3 SAR B 4 -9.894 -3.031 1.456 1.00 0.00 H new HETATM 0 HN2 SAR B 4 -9.343 -4.277 2.601 1.00 0.00 H new HETATM 0 HN1 SAR B 4 -9.961 -2.722 3.207 1.00 0.00 H new HETATM 0 HA3 SAR B 4 -6.106 -2.919 1.567 1.00 0.00 H new HETATM 0 HA2 SAR B 4 -7.184 -4.283 1.342 1.00 0.00 H new HETATM 406 N MVA B 5 -6.727 -2.998 -1.117 1.00 0.00 N HETATM 407 CN MVA B 5 -5.513 -3.795 -0.944 1.00 0.00 C HETATM 408 CA MVA B 5 -7.060 -2.591 -2.493 1.00 0.00 C HETATM 409 CB MVA B 5 -8.359 -3.272 -2.985 1.00 0.00 C HETATM 410 CG1 MVA B 5 -8.615 -2.977 -4.470 1.00 0.00 C HETATM 411 CG2 MVA B 5 -8.276 -4.796 -2.812 1.00 0.00 C HETATM 412 C MVA B 5 -7.076 -1.062 -2.631 1.00 0.00 C HETATM 413 O MVA B 5 -8.148 -0.464 -2.539 1.00 0.00 O HETATM 0 HG23 MVA B 5 -7.437 -5.183 -3.390 1.00 0.00 H new HETATM 0 HG22 MVA B 5 -8.132 -5.035 -1.758 1.00 0.00 H new HETATM 0 HG21 MVA B 5 -9.201 -5.253 -3.165 1.00 0.00 H new HETATM 0 HG13 MVA B 5 -8.711 -1.901 -4.616 1.00 0.00 H new HETATM 0 HG12 MVA B 5 -7.781 -3.351 -5.064 1.00 0.00 H new HETATM 0 HG11 MVA B 5 -9.535 -3.469 -4.785 1.00 0.00 H new HETATM 0 HN3 MVA B 5 -5.601 -4.720 -1.513 1.00 0.00 H new HETATM 0 HN2 MVA B 5 -4.653 -3.230 -1.302 1.00 0.00 H new HETATM 0 HN1 MVA B 5 -5.379 -4.030 0.112 1.00 0.00 H new HETATM 0 HB MVA B 5 -9.174 -2.869 -2.384 1.00 0.00 H new HETATM 0 HA MVA B 5 -6.272 -2.944 -3.158 1.00 0.00 H new HETATM 425 C1 PXZ B 6 -1.419 1.289 -2.420 1.00 0.00 C HETATM 426 C PXZ B 6 -2.708 1.814 -2.202 1.00 0.00 C HETATM 427 O PXZ B 6 -2.947 2.950 -2.608 1.00 0.00 O HETATM 428 C2 PXZ B 6 -0.954 1.103 -3.741 1.00 0.00 C HETATM 429 N2 PXZ B 6 -1.682 1.493 -4.793 1.00 0.00 N HETATM 430 C3 PXZ B 6 0.279 0.478 -3.980 1.00 0.00 C HETATM 431 O3 PXZ B 6 0.704 0.235 -5.324 1.00 0.00 O HETATM 432 C4 PXZ B 6 1.114 0.129 -2.913 1.00 0.00 C HETATM 433 O5 PXZ B 6 1.500 0.020 -0.579 1.00 0.00 O HETATM 434 C6 PXZ B 6 1.900 -0.247 1.739 1.00 0.00 C HETATM 435 C7 PXZ B 6 1.422 -0.197 3.053 1.00 0.00 C HETATM 436 C8 PXZ B 6 0.139 0.301 3.313 1.00 0.00 C HETATM 437 C9 PXZ B 6 -0.653 0.850 2.287 1.00 0.00 C HETATM 438 C' PXZ B 6 -1.905 1.408 2.622 1.00 0.00 C HETATM 439 O' PXZ B 6 -2.604 0.791 3.428 1.00 0.00 O HETATM 440 N10 PXZ B 6 -0.981 1.122 -0.072 1.00 0.00 N HETATM 441 C11 PXZ B 6 -0.585 0.928 -1.343 1.00 0.00 C HETATM 442 C12 PXZ B 6 0.685 0.357 -1.594 1.00 0.00 C HETATM 443 C13 PXZ B 6 1.075 0.187 0.686 1.00 0.00 C HETATM 444 C14 PXZ B 6 -0.195 0.754 0.955 1.00 0.00 C HETATM 445 C15 PXZ B 6 2.474 -0.486 -3.190 1.00 0.00 C HETATM 446 C16 PXZ B 6 3.286 -0.801 1.461 1.00 0.00 C HETATM 0 HN22 PXZ B 6 -1.329 1.350 -5.739 1.00 0.00 H new HETATM 0 HN21 PXZ B 6 -2.591 1.934 -4.649 1.00 0.00 H new HETATM 0 H163 PXZ B 6 4.029 -0.205 1.991 1.00 0.00 H new HETATM 0 H162 PXZ B 6 3.340 -1.835 1.802 1.00 0.00 H new HETATM 0 H161 PXZ B 6 3.486 -0.761 0.390 1.00 0.00 H new HETATM 0 H153 PXZ B 6 2.347 -1.417 -3.743 1.00 0.00 H new HETATM 0 H152 PXZ B 6 3.073 0.207 -3.780 1.00 0.00 H new HETATM 0 H151 PXZ B 6 2.980 -0.691 -2.246 1.00 0.00 H new HETATM 0 H8 PXZ B 6 -0.254 0.263 4.329 1.00 0.00 H new HETATM 0 H7 PXZ B 6 2.048 -0.546 3.874 1.00 0.00 H new ATOM 457 N THR B 7 -2.301 2.592 2.122 1.00 0.00 N ATOM 458 CA THR B 7 -3.559 3.240 2.516 1.00 0.00 C ATOM 459 C THR B 7 -4.274 3.916 1.343 1.00 0.00 C ATOM 460 O THR B 7 -3.753 3.969 0.235 1.00 0.00 O ATOM 461 CB THR B 7 -3.339 4.272 3.644 1.00 0.00 C ATOM 462 OG1 THR B 7 -2.648 5.425 3.147 1.00 0.00 O ATOM 463 CG2 THR B 7 -2.581 3.693 4.842 1.00 0.00 C ATOM 0 HA THR B 7 -4.198 2.436 2.882 1.00 0.00 H new ATOM 0 HB THR B 7 -4.331 4.559 3.994 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.457 4.465 5.602 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.145 2.859 5.261 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.601 3.342 4.518 1.00 0.00 H new HETATM 470 N DVA B 8 -5.461 4.470 1.625 1.00 0.00 N HETATM 471 CA DVA B 8 -6.112 5.538 0.866 1.00 0.00 C HETATM 472 CB DVA B 8 -7.379 5.999 1.614 1.00 0.00 C HETATM 473 CG1 DVA B 8 -8.053 7.167 0.880 1.00 0.00 C HETATM 474 CG2 DVA B 8 -7.057 6.462 3.044 1.00 0.00 C HETATM 475 C DVA B 8 -6.434 5.090 -0.566 1.00 0.00 C HETATM 476 O DVA B 8 -7.320 4.257 -0.746 1.00 0.00 O HETATM 0 HG23 DVA B 8 -6.610 5.639 3.601 1.00 0.00 H new HETATM 0 HG22 DVA B 8 -6.357 7.297 3.007 1.00 0.00 H new HETATM 0 HG21 DVA B 8 -7.975 6.779 3.539 1.00 0.00 H new HETATM 0 HG13 DVA B 8 -7.359 8.005 0.816 1.00 0.00 H new HETATM 0 HG12 DVA B 8 -8.334 6.851 -0.125 1.00 0.00 H new HETATM 0 HG11 DVA B 8 -8.944 7.475 1.427 1.00 0.00 H new HETATM 0 HB DVA B 8 -8.047 5.138 1.651 1.00 0.00 H new HETATM 0 HA DVA B 8 -5.427 6.382 0.783 1.00 0.00 H new HETATM 0 H DVA B 8 -5.865 4.151 2.505 1.00 0.00 H new ATOM 486 N PRO B 9 -5.753 5.626 -1.594 1.00 0.00 N ATOM 487 CA PRO B 9 -4.617 6.534 -1.517 1.00 0.00 C ATOM 488 C PRO B 9 -5.079 7.993 -1.370 1.00 0.00 C ATOM 489 O PRO B 9 -6.216 8.297 -1.730 1.00 0.00 O ATOM 490 CB PRO B 9 -3.892 6.349 -2.847 1.00 0.00 C ATOM 491 CG PRO B 9 -5.052 6.115 -3.811 1.00 0.00 C ATOM 492 CD PRO B 9 -6.021 5.278 -2.978 1.00 0.00 C ATOM 0 HA PRO B 9 -3.986 6.321 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.307 7.228 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.205 5.503 -2.823 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.503 7.052 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.731 5.588 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -7.055 5.497 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -5.866 4.213 -3.151 1.00 0.00 H new HETATM 500 N SAR B 10 -4.230 8.910 -0.866 1.00 0.00 N HETATM 501 CA SAR B 10 -2.928 8.573 -0.266 1.00 0.00 C HETATM 502 C SAR B 10 -3.101 8.300 1.236 1.00 0.00 C HETATM 503 O SAR B 10 -4.222 8.398 1.733 1.00 0.00 O HETATM 504 CN SAR B 10 -4.693 10.295 -0.747 1.00 0.00 C HETATM 0 HN3 SAR B 10 -4.786 10.558 0.307 1.00 0.00 H new HETATM 0 HN2 SAR B 10 -3.975 10.961 -1.226 1.00 0.00 H new HETATM 0 HN1 SAR B 10 -5.663 10.397 -1.233 1.00 0.00 H new HETATM 0 HA3 SAR B 10 -2.507 7.696 -0.758 1.00 0.00 H new HETATM 0 HA2 SAR B 10 -2.225 9.392 -0.417 1.00 0.00 H new HETATM 510 N MVA B 11 -2.026 7.989 1.986 1.00 0.00 N HETATM 511 CN MVA B 11 -0.676 7.781 1.463 1.00 0.00 C HETATM 512 CA MVA B 11 -2.140 7.831 3.441 1.00 0.00 C HETATM 513 CB MVA B 11 -2.601 9.134 4.141 1.00 0.00 C HETATM 514 CG1 MVA B 11 -2.233 9.089 5.634 1.00 0.00 C HETATM 515 CG2 MVA B 11 -1.924 10.381 3.551 1.00 0.00 C HETATM 516 C MVA B 11 -2.997 6.598 3.784 1.00 0.00 C HETATM 517 O MVA B 11 -3.935 6.732 4.571 1.00 0.00 O HETATM 0 HG23 MVA B 11 -0.843 10.298 3.668 1.00 0.00 H new HETATM 0 HG22 MVA B 11 -2.169 10.461 2.492 1.00 0.00 H new HETATM 0 HG21 MVA B 11 -2.279 11.269 4.074 1.00 0.00 H new HETATM 0 HG13 MVA B 11 -2.724 8.237 6.104 1.00 0.00 H new HETATM 0 HG12 MVA B 11 -1.153 8.989 5.740 1.00 0.00 H new HETATM 0 HG11 MVA B 11 -2.561 10.009 6.117 1.00 0.00 H new HETATM 0 HN3 MVA B 11 0.005 8.501 1.916 1.00 0.00 H new HETATM 0 HN2 MVA B 11 -0.345 6.770 1.701 1.00 0.00 H new HETATM 0 HN1 MVA B 11 -0.680 7.916 0.381 1.00 0.00 H new HETATM 0 HB MVA B 11 -3.679 9.199 3.992 1.00 0.00 H new HETATM 0 HA MVA B 11 -1.146 7.641 3.846 1.00 0.00 H new TER 529 MVA B 11