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 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 25:sc= 0.0177 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+ -177:sc= -0.0788 (180deg=-0.254) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 5.449 -11.455 -4.008 1.00 0.00 O ATOM 2 C5' DC A 1 4.570 -12.386 -4.601 1.00 0.00 C ATOM 3 C4' DC A 1 3.119 -11.968 -4.348 1.00 0.00 C ATOM 4 O4' DC A 1 2.891 -11.889 -2.950 1.00 0.00 O ATOM 5 C3' DC A 1 2.779 -10.596 -4.958 1.00 0.00 C ATOM 6 O3' DC A 1 1.622 -10.723 -5.768 1.00 0.00 O ATOM 7 C2' DC A 1 2.527 -9.728 -3.726 1.00 0.00 C ATOM 8 C1' DC A 1 2.056 -10.773 -2.720 1.00 0.00 C ATOM 9 N1 DC A 1 2.134 -10.297 -1.310 1.00 0.00 N ATOM 10 C2 DC A 1 0.955 -9.915 -0.663 1.00 0.00 C ATOM 11 O2 DC A 1 -0.126 -9.901 -1.249 1.00 0.00 O ATOM 12 N3 DC A 1 1.023 -9.534 0.644 1.00 0.00 N ATOM 13 C4 DC A 1 2.188 -9.522 1.308 1.00 0.00 C ATOM 14 N4 DC A 1 2.198 -9.126 2.585 1.00 0.00 N ATOM 15 C5 DC A 1 3.408 -9.931 0.673 1.00 0.00 C ATOM 16 C6 DC A 1 3.328 -10.311 -0.624 1.00 0.00 C ATOM 0 H5' DC A 1 4.748 -13.380 -4.190 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.759 -12.446 -5.673 1.00 0.00 H new ATOM 0 H4' DC A 1 2.487 -12.720 -4.821 1.00 0.00 H new ATOM 0 H3' DC A 1 3.553 -10.176 -5.601 1.00 0.00 H new ATOM 0 H2' DC A 1 3.429 -9.213 -3.394 1.00 0.00 H new ATOM 0 H2'' DC A 1 1.772 -8.963 -3.909 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.997 -11.006 -3.263 1.00 0.00 H new ATOM 0 H1' DC A 1 1.001 -11.011 -2.857 1.00 0.00 H new ATOM 0 H41 DC A 1 3.074 -9.110 3.107 1.00 0.00 H new ATOM 0 H42 DC A 1 1.330 -8.840 3.037 1.00 0.00 H new ATOM 0 H5 DC A 1 4.348 -9.936 1.206 1.00 0.00 H new ATOM 0 H6 DC A 1 4.224 -10.633 -1.134 1.00 0.00 H new ATOM 29 P DC A 2 1.070 -9.510 -6.685 1.00 0.00 P ATOM 30 OP1 DC A 2 0.393 -10.101 -7.860 1.00 0.00 O ATOM 31 OP2 DC A 2 2.170 -8.539 -6.886 1.00 0.00 O ATOM 32 O5' DC A 2 -0.047 -8.807 -5.755 1.00 0.00 O ATOM 33 C5' DC A 2 -1.305 -9.413 -5.525 1.00 0.00 C ATOM 34 C4' DC A 2 -2.217 -8.466 -4.738 1.00 0.00 C ATOM 35 O4' DC A 2 -1.683 -8.229 -3.450 1.00 0.00 O ATOM 36 C3' DC A 2 -2.388 -7.101 -5.425 1.00 0.00 C ATOM 37 O3' DC A 2 -3.770 -6.863 -5.649 1.00 0.00 O ATOM 38 C2' DC A 2 -1.802 -6.124 -4.405 1.00 0.00 C ATOM 39 C1' DC A 2 -1.987 -6.895 -3.101 1.00 0.00 C ATOM 40 N1 DC A 2 -1.084 -6.456 -2.001 1.00 0.00 N ATOM 41 C2 DC A 2 -1.651 -5.978 -0.818 1.00 0.00 C ATOM 42 O2 DC A 2 -2.822 -5.608 -0.780 1.00 0.00 O ATOM 43 N3 DC A 2 -0.882 -5.945 0.310 1.00 0.00 N ATOM 44 C4 DC A 2 0.417 -6.282 0.268 1.00 0.00 C ATOM 45 N4 DC A 2 1.113 -6.325 1.409 1.00 0.00 N ATOM 46 C5 DC A 2 1.055 -6.634 -0.970 1.00 0.00 C ATOM 47 C6 DC A 2 0.263 -6.718 -2.065 1.00 0.00 C ATOM 0 H5' DC A 2 -1.172 -10.343 -4.973 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.771 -9.671 -6.476 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.188 -8.959 -4.682 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.901 -7.018 -6.397 1.00 0.00 H new ATOM 0 H2' DC A 2 -0.754 -5.903 -4.605 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.333 -5.172 -4.397 1.00 0.00 H new ATOM 0 H1' DC A 2 -2.994 -6.740 -2.713 1.00 0.00 H new ATOM 0 H41 DC A 2 2.101 -6.579 1.395 1.00 0.00 H new ATOM 0 H42 DC A 2 0.656 -6.104 2.294 1.00 0.00 H new ATOM 0 H5 DC A 2 2.117 -6.823 -1.025 1.00 0.00 H new ATOM 0 H6 DC A 2 0.701 -6.998 -3.012 1.00 0.00 H new ATOM 59 P DG A 3 -4.293 -5.981 -6.901 1.00 0.00 P ATOM 60 OP1 DG A 3 -5.767 -6.108 -6.957 1.00 0.00 O ATOM 61 OP2 DG A 3 -3.486 -6.329 -8.091 1.00 0.00 O ATOM 62 O5' DG A 3 -3.934 -4.471 -6.472 1.00 0.00 O ATOM 63 C5' DG A 3 -4.896 -3.628 -5.869 1.00 0.00 C ATOM 64 C4' DG A 3 -4.248 -2.347 -5.335 1.00 0.00 C ATOM 65 O4' DG A 3 -3.563 -2.666 -4.131 1.00 0.00 O ATOM 66 C3' DG A 3 -3.232 -1.722 -6.314 1.00 0.00 C ATOM 67 O3' DG A 3 -3.481 -0.339 -6.531 1.00 0.00 O ATOM 68 C2' DG A 3 -1.924 -1.941 -5.558 1.00 0.00 C ATOM 69 C1' DG A 3 -2.395 -1.885 -4.105 1.00 0.00 C ATOM 70 N9 DG A 3 -1.404 -2.376 -3.114 1.00 0.00 N ATOM 71 C8 DG A 3 -0.189 -2.985 -3.325 1.00 0.00 C ATOM 72 N7 DG A 3 0.467 -3.271 -2.237 1.00 0.00 N ATOM 73 C5 DG A 3 -0.364 -2.824 -1.221 1.00 0.00 C ATOM 74 C6 DG A 3 -0.173 -2.865 0.193 1.00 0.00 C ATOM 75 O6 DG A 3 0.802 -3.259 0.828 1.00 0.00 O ATOM 76 N1 DG A 3 -1.276 -2.390 0.881 1.00 0.00 N ATOM 77 C2 DG A 3 -2.405 -1.870 0.290 1.00 0.00 C ATOM 78 N2 DG A 3 -3.369 -1.514 1.138 1.00 0.00 N ATOM 79 N3 DG A 3 -2.568 -1.754 -1.041 1.00 0.00 N ATOM 80 C4 DG A 3 -1.518 -2.276 -1.742 1.00 0.00 C ATOM 0 H5' DG A 3 -5.388 -4.158 -5.053 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.668 -3.374 -6.595 1.00 0.00 H new ATOM 0 H4' DG A 3 -5.045 -1.619 -5.184 1.00 0.00 H new ATOM 0 H3' DG A 3 -3.256 -2.156 -7.314 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.465 -2.899 -5.803 1.00 0.00 H new ATOM 0 H2'' DG A 3 -1.188 -1.168 -5.780 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.555 -0.860 -3.770 1.00 0.00 H new ATOM 0 H8 DG A 3 0.190 -3.208 -4.312 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.250 -2.428 1.900 1.00 0.00 H new ATOM 0 H21 DG A 3 -4.240 -1.119 0.783 1.00 0.00 H new ATOM 0 H22 DG A 3 -3.236 -1.636 2.142 1.00 0.00 H new ATOM 92 P DT A 4 -2.918 0.421 -7.855 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.827 0.120 -8.982 1.00 0.00 O ATOM 94 OP2 DT A 4 -1.474 0.123 -7.974 1.00 0.00 O ATOM 95 O5' DT A 4 -3.039 1.993 -7.511 1.00 0.00 O ATOM 96 C5' DT A 4 -4.290 2.633 -7.342 1.00 0.00 C ATOM 97 C4' DT A 4 -4.111 4.017 -6.697 1.00 0.00 C ATOM 98 O4' DT A 4 -3.062 3.920 -5.740 1.00 0.00 O ATOM 99 C3' DT A 4 -3.747 5.158 -7.663 1.00 0.00 C ATOM 100 O3' DT A 4 -4.243 6.395 -7.167 1.00 0.00 O ATOM 101 C2' DT A 4 -2.229 5.093 -7.630 1.00 0.00 C ATOM 102 C1' DT A 4 -1.966 4.713 -6.167 1.00 0.00 C ATOM 103 N1 DT A 4 -0.645 4.055 -5.908 1.00 0.00 N ATOM 104 C2 DT A 4 -0.118 4.143 -4.616 1.00 0.00 C ATOM 105 O2 DT A 4 -0.694 4.702 -3.683 1.00 0.00 O ATOM 106 N3 DT A 4 1.120 3.546 -4.409 1.00 0.00 N ATOM 107 C4 DT A 4 1.868 2.861 -5.353 1.00 0.00 C ATOM 108 O4 DT A 4 2.970 2.407 -5.055 1.00 0.00 O ATOM 109 C5 DT A 4 1.220 2.734 -6.641 1.00 0.00 C ATOM 110 C7 DT A 4 1.883 1.936 -7.748 1.00 0.00 C ATOM 111 C6 DT A 4 0.018 3.318 -6.871 1.00 0.00 C ATOM 0 H5' DT A 4 -4.938 2.017 -6.718 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.784 2.738 -8.308 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.082 4.274 -6.272 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.163 5.072 -8.667 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.836 4.349 -8.323 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.773 6.047 -7.894 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.890 5.629 -5.581 1.00 0.00 H new ATOM 0 H3 DT A 4 1.516 3.619 -3.472 1.00 0.00 H new ATOM 0 H71 DT A 4 1.118 1.500 -8.391 1.00 0.00 H new ATOM 0 H72 DT A 4 2.521 2.593 -8.338 1.00 0.00 H new ATOM 0 H73 DT A 4 2.487 1.140 -7.312 1.00 0.00 H new ATOM 0 H6 DT A 4 -0.438 3.203 -7.843 1.00 0.00 H new ATOM 124 P DT A 5 -3.968 7.815 -7.903 1.00 0.00 P ATOM 125 OP1 DT A 5 -5.203 8.625 -7.811 1.00 0.00 O ATOM 126 OP2 DT A 5 -3.359 7.556 -9.228 1.00 0.00 O ATOM 127 O5' DT A 5 -2.848 8.493 -6.952 1.00 0.00 O ATOM 128 C5' DT A 5 -3.220 9.090 -5.723 1.00 0.00 C ATOM 129 C4' DT A 5 -2.038 9.246 -4.762 1.00 0.00 C ATOM 130 O4' DT A 5 -1.244 8.073 -4.714 1.00 0.00 O ATOM 131 C3' DT A 5 -1.089 10.432 -5.017 1.00 0.00 C ATOM 132 O3' DT A 5 -1.394 11.443 -4.062 1.00 0.00 O ATOM 133 C2' DT A 5 0.291 9.781 -4.845 1.00 0.00 C ATOM 134 C1' DT A 5 -0.039 8.481 -4.115 1.00 0.00 C ATOM 135 N1 DT A 5 1.032 7.447 -4.195 1.00 0.00 N ATOM 136 C2 DT A 5 1.401 6.794 -3.018 1.00 0.00 C ATOM 137 O2 DT A 5 0.811 6.936 -1.949 1.00 0.00 O ATOM 138 N3 DT A 5 2.496 5.946 -3.102 1.00 0.00 N ATOM 139 C4 DT A 5 3.248 5.695 -4.239 1.00 0.00 C ATOM 140 O4 DT A 5 4.260 5.004 -4.167 1.00 0.00 O ATOM 141 C5 DT A 5 2.716 6.299 -5.447 1.00 0.00 C ATOM 142 C7 DT A 5 3.357 5.995 -6.787 1.00 0.00 C ATOM 143 C6 DT A 5 1.650 7.138 -5.387 1.00 0.00 C ATOM 0 H5' DT A 5 -3.992 8.484 -5.248 1.00 0.00 H new ATOM 0 H5'' DT A 5 -3.657 10.069 -5.917 1.00 0.00 H new ATOM 0 H4' DT A 5 -2.542 9.445 -3.816 1.00 0.00 H new ATOM 0 H3' DT A 5 -1.159 10.926 -5.986 1.00 0.00 H new ATOM 0 H2' DT A 5 0.773 9.595 -5.805 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.966 10.411 -4.265 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.126 8.630 -3.039 1.00 0.00 H new ATOM 0 H3 DT A 5 2.773 5.462 -2.248 1.00 0.00 H new ATOM 0 H71 DT A 5 2.603 6.051 -7.572 1.00 0.00 H new ATOM 0 H72 DT A 5 4.144 6.722 -6.987 1.00 0.00 H new ATOM 0 H73 DT A 5 3.786 4.993 -6.766 1.00 0.00 H new ATOM 0 H6 DT A 5 1.276 7.576 -6.300 1.00 0.00 H new ATOM 156 P DT A 6 -0.412 12.679 -3.687 1.00 0.00 P ATOM 157 OP1 DT A 6 -1.247 13.796 -3.193 1.00 0.00 O ATOM 158 OP2 DT A 6 0.531 12.901 -4.805 1.00 0.00 O ATOM 159 O5' DT A 6 0.406 12.071 -2.429 1.00 0.00 O ATOM 160 C5' DT A 6 -0.274 11.706 -1.241 1.00 0.00 C ATOM 161 C4' DT A 6 0.545 10.746 -0.370 1.00 0.00 C ATOM 162 O4' DT A 6 1.230 9.791 -1.175 1.00 0.00 O ATOM 163 C3' DT A 6 1.584 11.392 0.565 1.00 0.00 C ATOM 164 O3' DT A 6 1.373 10.867 1.874 1.00 0.00 O ATOM 165 C2' DT A 6 2.887 10.901 -0.050 1.00 0.00 C ATOM 166 C1' DT A 6 2.459 9.520 -0.534 1.00 0.00 C ATOM 167 N1 DT A 6 3.475 8.874 -1.413 1.00 0.00 N ATOM 168 C2 DT A 6 3.945 7.601 -1.072 1.00 0.00 C ATOM 169 O2 DT A 6 3.427 6.893 -0.211 1.00 0.00 O ATOM 170 N3 DT A 6 5.025 7.127 -1.804 1.00 0.00 N ATOM 171 C4 DT A 6 5.596 7.748 -2.906 1.00 0.00 C ATOM 172 O4 DT A 6 6.535 7.219 -3.494 1.00 0.00 O ATOM 173 C5 DT A 6 4.982 9.015 -3.261 1.00 0.00 C ATOM 174 C7 DT A 6 5.492 9.781 -4.467 1.00 0.00 C ATOM 175 C6 DT A 6 3.972 9.529 -2.516 1.00 0.00 C ATOM 0 H5' DT A 6 -1.224 11.238 -1.499 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.506 12.604 -0.668 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.211 10.290 0.269 1.00 0.00 H new ATOM 0 H3' DT A 6 1.551 12.478 0.656 1.00 0.00 H new ATOM 0 H2' DT A 6 3.228 11.539 -0.865 1.00 0.00 H new ATOM 0 H2'' DT A 6 3.697 10.853 0.677 1.00 0.00 H new ATOM 0 H1' DT A 6 2.357 8.787 0.267 1.00 0.00 H new ATOM 0 H3 DT A 6 5.436 6.243 -1.505 1.00 0.00 H new ATOM 0 H71 DT A 6 4.676 10.356 -4.905 1.00 0.00 H new ATOM 0 H72 DT A 6 6.288 10.459 -4.158 1.00 0.00 H new ATOM 0 H73 DT A 6 5.879 9.080 -5.206 1.00 0.00 H new ATOM 0 H6 DT A 6 3.545 10.481 -2.797 1.00 0.00 H new ATOM 188 P DT A 7 2.337 11.198 3.138 1.00 0.00 P ATOM 189 OP1 DT A 7 1.568 10.948 4.377 1.00 0.00 O ATOM 190 OP2 DT A 7 2.955 12.525 2.915 1.00 0.00 O ATOM 191 O5' DT A 7 3.502 10.078 3.042 1.00 0.00 O ATOM 192 C5' DT A 7 3.217 8.700 3.205 1.00 0.00 C ATOM 193 C4' DT A 7 4.423 7.839 2.804 1.00 0.00 C ATOM 194 O4' DT A 7 5.026 8.322 1.618 1.00 0.00 O ATOM 195 C3' DT A 7 5.541 7.757 3.859 1.00 0.00 C ATOM 196 O3' DT A 7 5.673 6.393 4.217 1.00 0.00 O ATOM 197 C2' DT A 7 6.794 8.178 3.082 1.00 0.00 C ATOM 198 C1' DT A 7 6.357 7.863 1.650 1.00 0.00 C ATOM 199 N1 DT A 7 7.186 8.458 0.562 1.00 0.00 N ATOM 200 C2 DT A 7 7.988 7.600 -0.197 1.00 0.00 C ATOM 201 O2 DT A 7 8.183 6.423 0.096 1.00 0.00 O ATOM 202 N3 DT A 7 8.571 8.140 -1.336 1.00 0.00 N ATOM 203 C4 DT A 7 8.411 9.439 -1.797 1.00 0.00 C ATOM 204 O4 DT A 7 8.938 9.788 -2.850 1.00 0.00 O ATOM 205 C5 DT A 7 7.593 10.278 -0.939 1.00 0.00 C ATOM 206 C7 DT A 7 7.321 11.721 -1.318 1.00 0.00 C ATOM 207 C6 DT A 7 7.024 9.772 0.184 1.00 0.00 C ATOM 0 H5' DT A 7 2.354 8.429 2.597 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.952 8.500 4.243 1.00 0.00 H new ATOM 0 H4' DT A 7 3.994 6.845 2.677 1.00 0.00 H new ATOM 0 H3' DT A 7 5.366 8.360 4.750 1.00 0.00 H new ATOM 0 H2' DT A 7 7.032 9.233 3.220 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.676 7.611 3.380 1.00 0.00 H new ATOM 0 H1' DT A 7 6.475 6.800 1.440 1.00 0.00 H new ATOM 0 H3 DT A 7 9.172 7.525 -1.884 1.00 0.00 H new ATOM 0 H71 DT A 7 6.349 12.023 -0.928 1.00 0.00 H new ATOM 0 H72 DT A 7 8.096 12.361 -0.895 1.00 0.00 H new ATOM 0 H73 DT A 7 7.323 11.819 -2.404 1.00 0.00 H new ATOM 0 H6 DT A 7 6.423 10.422 0.803 1.00 0.00 H new ATOM 220 P DG A 8 6.051 5.878 5.698 1.00 0.00 P ATOM 221 OP1 DG A 8 6.068 7.015 6.647 1.00 0.00 O ATOM 222 OP2 DG A 8 7.221 4.979 5.591 1.00 0.00 O ATOM 223 O5' DG A 8 4.735 4.981 5.954 1.00 0.00 O ATOM 224 C5' DG A 8 3.564 5.479 6.580 1.00 0.00 C ATOM 225 C4' DG A 8 2.337 4.934 5.842 1.00 0.00 C ATOM 226 O4' DG A 8 2.522 4.902 4.440 1.00 0.00 O ATOM 227 C3' DG A 8 1.897 3.538 6.300 1.00 0.00 C ATOM 228 O3' DG A 8 0.784 3.601 7.181 1.00 0.00 O ATOM 229 C2' DG A 8 1.477 2.900 4.978 1.00 0.00 C ATOM 230 C1' DG A 8 1.578 3.992 3.919 1.00 0.00 C ATOM 231 N9 DG A 8 2.028 3.502 2.597 1.00 0.00 N ATOM 232 C8 DG A 8 3.247 2.955 2.294 1.00 0.00 C ATOM 233 N7 DG A 8 3.464 2.789 1.021 1.00 0.00 N ATOM 234 C5 DG A 8 2.303 3.264 0.424 1.00 0.00 C ATOM 235 C6 DG A 8 1.980 3.391 -0.961 1.00 0.00 C ATOM 236 O6 DG A 8 2.660 3.082 -1.935 1.00 0.00 O ATOM 237 N1 DG A 8 0.729 3.959 -1.163 1.00 0.00 N ATOM 238 C2 DG A 8 -0.122 4.348 -0.152 1.00 0.00 C ATOM 239 N2 DG A 8 -1.257 4.924 -0.550 1.00 0.00 N ATOM 240 N3 DG A 8 0.157 4.202 1.157 1.00 0.00 N ATOM 241 C4 DG A 8 1.399 3.677 1.380 1.00 0.00 C ATOM 0 H5' DG A 8 3.561 6.569 6.562 1.00 0.00 H new ATOM 0 H5'' DG A 8 3.539 5.177 7.627 1.00 0.00 H new ATOM 0 H4' DG A 8 1.548 5.640 6.100 1.00 0.00 H new ATOM 0 H3' DG A 8 2.671 2.999 6.846 1.00 0.00 H new ATOM 0 H2' DG A 8 2.124 2.059 4.730 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.460 2.513 5.040 1.00 0.00 H new ATOM 0 H1' DG A 8 0.596 4.428 3.734 1.00 0.00 H new ATOM 0 H8 DG A 8 3.969 2.684 3.050 1.00 0.00 H new ATOM 0 H1 DG A 8 0.419 4.098 -2.125 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.938 5.239 0.140 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.444 5.049 -1.545 1.00 0.00 H new ATOM 253 P DT A 9 0.779 2.926 8.657 1.00 0.00 P ATOM 254 OP1 DT A 9 0.077 3.849 9.576 1.00 0.00 O ATOM 255 OP2 DT A 9 2.140 2.451 8.994 1.00 0.00 O ATOM 256 O5' DT A 9 -0.164 1.637 8.428 1.00 0.00 O ATOM 257 C5' DT A 9 -1.555 1.769 8.211 1.00 0.00 C ATOM 258 C4' DT A 9 -2.135 0.465 7.657 1.00 0.00 C ATOM 259 O4' DT A 9 -1.410 0.039 6.522 1.00 0.00 O ATOM 260 C3' DT A 9 -2.079 -0.730 8.608 1.00 0.00 C ATOM 261 O3' DT A 9 -3.133 -0.679 9.557 1.00 0.00 O ATOM 262 C2' DT A 9 -2.202 -1.893 7.621 1.00 0.00 C ATOM 263 C1' DT A 9 -1.792 -1.298 6.270 1.00 0.00 C ATOM 264 N1 DT A 9 -0.680 -2.052 5.631 1.00 0.00 N ATOM 265 C2 DT A 9 -0.848 -2.506 4.322 1.00 0.00 C ATOM 266 O2 DT A 9 -1.894 -2.376 3.689 1.00 0.00 O ATOM 267 N3 DT A 9 0.258 -3.102 3.729 1.00 0.00 N ATOM 268 C4 DT A 9 1.479 -3.342 4.343 1.00 0.00 C ATOM 269 O4 DT A 9 2.369 -3.928 3.731 1.00 0.00 O ATOM 270 C5 DT A 9 1.580 -2.825 5.697 1.00 0.00 C ATOM 271 C7 DT A 9 2.882 -2.972 6.459 1.00 0.00 C ATOM 272 C6 DT A 9 0.523 -2.204 6.282 1.00 0.00 C ATOM 0 H5' DT A 9 -1.745 2.584 7.513 1.00 0.00 H new ATOM 0 H5'' DT A 9 -2.052 2.027 9.146 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.174 0.724 7.455 1.00 0.00 H new ATOM 0 H3' DT A 9 -1.186 -0.790 9.230 1.00 0.00 H new ATOM 0 H2' DT A 9 -1.553 -2.722 7.902 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.220 -2.281 7.591 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.625 -1.355 5.570 1.00 0.00 H new ATOM 0 H3 DT A 9 0.164 -3.389 2.755 1.00 0.00 H new ATOM 0 H71 DT A 9 2.991 -2.142 7.157 1.00 0.00 H new ATOM 0 H72 DT A 9 2.876 -3.912 7.011 1.00 0.00 H new ATOM 0 H73 DT A 9 3.716 -2.968 5.758 1.00 0.00 H new ATOM 0 H6 DT A 9 0.630 -1.819 7.285 1.00 0.00 H new ATOM 285 P DG A 10 -3.488 -1.920 10.539 1.00 0.00 P ATOM 286 OP1 DG A 10 -4.225 -1.387 11.705 1.00 0.00 O ATOM 287 OP2 DG A 10 -2.262 -2.722 10.747 1.00 0.00 O ATOM 288 O5' DG A 10 -4.518 -2.792 9.652 1.00 0.00 O ATOM 289 C5' DG A 10 -5.780 -2.269 9.275 1.00 0.00 C ATOM 290 C4' DG A 10 -6.418 -3.087 8.146 1.00 0.00 C ATOM 291 O4' DG A 10 -5.460 -3.289 7.116 1.00 0.00 O ATOM 292 C3' DG A 10 -6.945 -4.466 8.563 1.00 0.00 C ATOM 293 O3' DG A 10 -8.116 -4.696 7.790 1.00 0.00 O ATOM 294 C2' DG A 10 -5.764 -5.354 8.185 1.00 0.00 C ATOM 295 C1' DG A 10 -5.293 -4.678 6.901 1.00 0.00 C ATOM 296 N9 DG A 10 -3.894 -5.011 6.532 1.00 0.00 N ATOM 297 C8 DG A 10 -2.825 -5.334 7.334 1.00 0.00 C ATOM 298 N7 DG A 10 -1.733 -5.621 6.682 1.00 0.00 N ATOM 299 C5 DG A 10 -2.095 -5.491 5.348 1.00 0.00 C ATOM 300 C6 DG A 10 -1.339 -5.738 4.160 1.00 0.00 C ATOM 301 O6 DG A 10 -0.176 -6.122 4.067 1.00 0.00 O ATOM 302 N1 DG A 10 -2.073 -5.494 3.002 1.00 0.00 N ATOM 303 C2 DG A 10 -3.394 -5.087 2.993 1.00 0.00 C ATOM 304 N2 DG A 10 -3.983 -4.953 1.804 1.00 0.00 N ATOM 305 N3 DG A 10 -4.113 -4.880 4.105 1.00 0.00 N ATOM 306 C4 DG A 10 -3.409 -5.097 5.248 1.00 0.00 C ATOM 0 H5' DG A 10 -5.664 -1.234 8.954 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.444 -2.262 10.139 1.00 0.00 H new ATOM 0 H4' DG A 10 -7.278 -2.502 7.820 1.00 0.00 H new ATOM 0 H3' DG A 10 -7.233 -4.618 9.603 1.00 0.00 H new ATOM 0 H2' DG A 10 -4.992 -5.363 8.954 1.00 0.00 H new ATOM 0 H2'' DG A 10 -6.062 -6.389 8.021 1.00 0.00 H new ATOM 0 H1' DG A 10 -5.879 -5.035 6.054 1.00 0.00 H new ATOM 0 H8 DG A 10 -2.885 -5.349 8.412 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.607 -5.624 2.104 1.00 0.00 H new ATOM 0 H21 DG A 10 -4.957 -4.655 1.748 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.460 -5.149 0.951 1.00 0.00 H new ATOM 318 P DG A 11 -8.884 -6.114 7.693 1.00 0.00 P ATOM 319 OP1 DG A 11 -10.339 -5.847 7.647 1.00 0.00 O ATOM 320 OP2 DG A 11 -8.338 -7.040 8.710 1.00 0.00 O ATOM 321 O5' DG A 11 -8.420 -6.614 6.230 1.00 0.00 O ATOM 322 C5' DG A 11 -8.798 -5.891 5.071 1.00 0.00 C ATOM 323 C4' DG A 11 -8.244 -6.541 3.802 1.00 0.00 C ATOM 324 O4' DG A 11 -6.828 -6.549 3.833 1.00 0.00 O ATOM 325 C3' DG A 11 -8.710 -7.994 3.618 1.00 0.00 C ATOM 326 O3' DG A 11 -9.268 -8.164 2.331 1.00 0.00 O ATOM 327 C2' DG A 11 -7.411 -8.783 3.717 1.00 0.00 C ATOM 328 C1' DG A 11 -6.407 -7.748 3.222 1.00 0.00 C ATOM 329 N9 DG A 11 -5.023 -8.089 3.614 1.00 0.00 N ATOM 330 C8 DG A 11 -4.493 -8.192 4.875 1.00 0.00 C ATOM 331 N7 DG A 11 -3.228 -8.500 4.899 1.00 0.00 N ATOM 332 C5 DG A 11 -2.888 -8.615 3.556 1.00 0.00 C ATOM 333 C6 DG A 11 -1.632 -8.921 2.951 1.00 0.00 C ATOM 334 O6 DG A 11 -0.560 -9.141 3.508 1.00 0.00 O ATOM 335 N1 DG A 11 -1.707 -8.959 1.561 1.00 0.00 N ATOM 336 C2 DG A 11 -2.860 -8.727 0.834 1.00 0.00 C ATOM 337 N2 DG A 11 -2.780 -8.856 -0.495 1.00 0.00 N ATOM 338 N3 DG A 11 -4.036 -8.415 1.400 1.00 0.00 N ATOM 339 C4 DG A 11 -3.984 -8.375 2.760 1.00 0.00 C ATOM 0 H5' DG A 11 -8.434 -4.866 5.145 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.885 -5.840 5.011 1.00 0.00 H new ATOM 0 H4' DG A 11 -8.623 -5.944 2.972 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.467 -8.299 4.340 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.201 -9.107 4.736 1.00 0.00 H new ATOM 0 H2'' DG A 11 -7.423 -9.678 3.094 1.00 0.00 H new ATOM 0 HO3' DG A 11 -9.561 -9.093 2.221 1.00 0.00 H new ATOM 0 H1' DG A 11 -6.385 -7.685 2.134 1.00 0.00 H new ATOM 0 H8 DG A 11 -5.075 -8.031 5.771 1.00 0.00 H new ATOM 0 H1 DG A 11 -0.854 -9.172 1.044 1.00 0.00 H new ATOM 0 H21 DG A 11 -3.604 -8.695 -1.074 1.00 0.00 H new ATOM 0 H22 DG A 11 -1.895 -9.115 -0.930 1.00 0.00 H new TER 352 DG A 11 ATOM 353 N THR B 1 -3.603 1.160 -1.529 1.00 0.00 N ATOM 354 CA THR B 1 -4.996 1.590 -1.387 1.00 0.00 C ATOM 355 C THR B 1 -5.539 1.303 0.016 1.00 0.00 C ATOM 356 O THR B 1 -4.846 0.731 0.848 1.00 0.00 O ATOM 357 CB THR B 1 -5.882 0.896 -2.438 1.00 0.00 C ATOM 358 OG1 THR B 1 -5.895 -0.504 -2.169 1.00 0.00 O ATOM 359 CG2 THR B 1 -5.410 1.134 -3.879 1.00 0.00 C ATOM 0 H3 THR B 1 -3.255 1.417 -2.475 1.00 0.00 H new ATOM 0 HA THR B 1 -5.020 2.668 -1.545 1.00 0.00 H new ATOM 0 HB THR B 1 -6.881 1.326 -2.361 1.00 0.00 H new ATOM 0 HG21 THR B 1 -6.077 0.618 -4.570 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.421 2.203 -4.094 1.00 0.00 H new ATOM 0 HG23 THR B 1 -4.397 0.750 -3.998 1.00 0.00 H new HETATM 366 N DVA B 2 -6.798 1.685 0.259 1.00 0.00 N HETATM 367 CA DVA B 2 -7.648 1.175 1.335 1.00 0.00 C HETATM 368 CB DVA B 2 -9.058 1.784 1.191 1.00 0.00 C HETATM 369 CG1 DVA B 2 -10.013 1.244 2.263 1.00 0.00 C HETATM 370 CG2 DVA B 2 -9.672 1.478 -0.184 1.00 0.00 C HETATM 371 C DVA B 2 -7.042 1.472 2.718 1.00 0.00 C HETATM 372 O DVA B 2 -7.025 2.633 3.125 1.00 0.00 O HETATM 0 HG23 DVA B 2 -9.038 1.894 -0.967 1.00 0.00 H new HETATM 0 HG22 DVA B 2 -9.750 0.399 -0.316 1.00 0.00 H new HETATM 0 HG21 DVA B 2 -10.665 1.924 -0.246 1.00 0.00 H new HETATM 0 HG13 DVA B 2 -10.093 0.161 2.167 1.00 0.00 H new HETATM 0 HG12 DVA B 2 -9.628 1.493 3.252 1.00 0.00 H new HETATM 0 HG11 DVA B 2 -10.998 1.693 2.133 1.00 0.00 H new HETATM 0 HB DVA B 2 -8.935 2.861 1.308 1.00 0.00 H new HETATM 0 HA DVA B 2 -7.718 0.090 1.254 1.00 0.00 H new HETATM 0 H DVA B 2 -7.179 2.337 -0.426 1.00 0.00 H new ATOM 382 N PRO B 3 -6.556 0.462 3.465 1.00 0.00 N ATOM 383 CA PRO B 3 -6.475 -0.951 3.101 1.00 0.00 C ATOM 384 C PRO B 3 -7.854 -1.627 3.187 1.00 0.00 C ATOM 385 O PRO B 3 -8.677 -1.183 3.988 1.00 0.00 O ATOM 386 CB PRO B 3 -5.515 -1.563 4.125 1.00 0.00 C ATOM 387 CG PRO B 3 -5.774 -0.720 5.371 1.00 0.00 C ATOM 388 CD PRO B 3 -5.989 0.673 4.786 1.00 0.00 C ATOM 0 HA PRO B 3 -6.133 -1.086 2.075 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.726 -2.618 4.299 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.477 -1.495 3.798 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.647 -1.068 5.923 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.930 -0.745 6.061 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.661 1.261 5.411 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -5.049 1.222 4.725 1.00 0.00 H new HETATM 396 N SAR B 4 -8.146 -2.677 2.390 1.00 0.00 N HETATM 397 CA SAR B 4 -7.231 -3.257 1.388 1.00 0.00 C HETATM 398 C SAR B 4 -7.542 -2.716 -0.018 1.00 0.00 C HETATM 399 O SAR B 4 -8.516 -1.981 -0.172 1.00 0.00 O HETATM 400 CN SAR B 4 -9.509 -3.213 2.436 1.00 0.00 C HETATM 0 HN3 SAR B 4 -9.994 -3.057 1.472 1.00 0.00 H new HETATM 0 HN2 SAR B 4 -9.473 -4.280 2.656 1.00 0.00 H new HETATM 0 HN1 SAR B 4 -10.075 -2.701 3.214 1.00 0.00 H new HETATM 0 HA3 SAR B 4 -6.200 -3.022 1.652 1.00 0.00 H new HETATM 0 HA2 SAR B 4 -7.322 -4.343 1.392 1.00 0.00 H new HETATM 406 N MVA B 5 -6.750 -3.080 -1.048 1.00 0.00 N HETATM 407 CN MVA B 5 -5.585 -3.944 -0.859 1.00 0.00 C HETATM 408 CA MVA B 5 -7.039 -2.655 -2.427 1.00 0.00 C HETATM 409 CB MVA B 5 -8.319 -3.346 -2.960 1.00 0.00 C HETATM 410 CG1 MVA B 5 -8.480 -3.162 -4.478 1.00 0.00 C HETATM 411 CG2 MVA B 5 -8.295 -4.857 -2.683 1.00 0.00 C HETATM 412 C MVA B 5 -7.073 -1.122 -2.516 1.00 0.00 C HETATM 413 O MVA B 5 -8.114 -0.560 -2.855 1.00 0.00 O HETATM 0 HG23 MVA B 5 -7.430 -5.303 -3.174 1.00 0.00 H new HETATM 0 HG22 MVA B 5 -8.231 -5.029 -1.609 1.00 0.00 H new HETATM 0 HG21 MVA B 5 -9.207 -5.312 -3.069 1.00 0.00 H new HETATM 0 HG13 MVA B 5 -8.544 -2.099 -4.711 1.00 0.00 H new HETATM 0 HG12 MVA B 5 -7.620 -3.595 -4.990 1.00 0.00 H new HETATM 0 HG11 MVA B 5 -9.390 -3.662 -4.811 1.00 0.00 H new HETATM 0 HN3 MVA B 5 -5.717 -4.863 -1.431 1.00 0.00 H new HETATM 0 HN2 MVA B 5 -4.689 -3.427 -1.204 1.00 0.00 H new HETATM 0 HN1 MVA B 5 -5.480 -4.187 0.198 1.00 0.00 H new HETATM 0 HB MVA B 5 -9.151 -2.874 -2.437 1.00 0.00 H new HETATM 0 HA MVA B 5 -6.235 -2.980 -3.087 1.00 0.00 H new HETATM 425 C1 PXZ B 6 -1.425 1.319 -2.480 1.00 0.00 C HETATM 426 C PXZ B 6 -2.705 1.858 -2.241 1.00 0.00 C HETATM 427 O PXZ B 6 -2.986 2.941 -2.753 1.00 0.00 O HETATM 428 C2 PXZ B 6 -0.981 1.119 -3.807 1.00 0.00 C HETATM 429 N2 PXZ B 6 -1.739 1.473 -4.852 1.00 0.00 N HETATM 430 C3 PXZ B 6 0.258 0.511 -4.057 1.00 0.00 C HETATM 431 O3 PXZ B 6 0.665 0.257 -5.404 1.00 0.00 O HETATM 432 C4 PXZ B 6 1.114 0.183 -2.998 1.00 0.00 C HETATM 433 O5 PXZ B 6 1.508 0.046 -0.664 1.00 0.00 O HETATM 434 C6 PXZ B 6 1.903 -0.271 1.650 1.00 0.00 C HETATM 435 C7 PXZ B 6 1.424 -0.240 2.966 1.00 0.00 C HETATM 436 C8 PXZ B 6 0.139 0.252 3.233 1.00 0.00 C HETATM 437 C9 PXZ B 6 -0.651 0.819 2.216 1.00 0.00 C HETATM 438 C' PXZ B 6 -1.901 1.378 2.562 1.00 0.00 C HETATM 439 O' PXZ B 6 -2.607 0.745 3.348 1.00 0.00 O HETATM 440 N10 PXZ B 6 -0.978 1.123 -0.137 1.00 0.00 N HETATM 441 C11 PXZ B 6 -0.584 0.950 -1.412 1.00 0.00 C HETATM 442 C12 PXZ B 6 0.689 0.393 -1.674 1.00 0.00 C HETATM 443 C13 PXZ B 6 1.080 0.185 0.605 1.00 0.00 C HETATM 444 C14 PXZ B 6 -0.192 0.742 0.884 1.00 0.00 C HETATM 445 C15 PXZ B 6 2.486 -0.395 -3.289 1.00 0.00 C HETATM 446 C16 PXZ B 6 3.285 -0.829 1.364 1.00 0.00 C HETATM 0 HN22 PXZ B 6 -1.401 1.321 -5.802 1.00 0.00 H new HETATM 0 HN21 PXZ B 6 -2.655 1.895 -4.698 1.00 0.00 H new HETATM 0 H163 PXZ B 6 4.031 -0.247 1.904 1.00 0.00 H new HETATM 0 H162 PXZ B 6 3.332 -1.869 1.688 1.00 0.00 H new HETATM 0 H161 PXZ B 6 3.486 -0.773 0.294 1.00 0.00 H new HETATM 0 H153 PXZ B 6 2.378 -1.328 -3.841 1.00 0.00 H new HETATM 0 H152 PXZ B 6 3.061 0.314 -3.884 1.00 0.00 H new HETATM 0 H151 PXZ B 6 3.007 -0.587 -2.351 1.00 0.00 H new HETATM 0 H8 PXZ B 6 -0.256 0.194 4.247 1.00 0.00 H new HETATM 0 H7 PXZ B 6 2.051 -0.599 3.783 1.00 0.00 H new ATOM 457 N THR B 7 -2.282 2.583 2.099 1.00 0.00 N ATOM 458 CA THR B 7 -3.540 3.227 2.504 1.00 0.00 C ATOM 459 C THR B 7 -4.243 3.936 1.344 1.00 0.00 C ATOM 460 O THR B 7 -3.686 4.063 0.260 1.00 0.00 O ATOM 461 CB THR B 7 -3.329 4.233 3.656 1.00 0.00 C ATOM 462 OG1 THR B 7 -2.627 5.393 3.193 1.00 0.00 O ATOM 463 CG2 THR B 7 -2.587 3.621 4.848 1.00 0.00 C ATOM 0 HA THR B 7 -4.180 2.415 2.849 1.00 0.00 H new ATOM 0 HB THR B 7 -4.322 4.519 4.001 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.467 4.374 5.627 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.159 2.780 5.240 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.606 3.273 4.526 1.00 0.00 H new HETATM 470 N DVA B 8 -5.461 4.427 1.606 1.00 0.00 N HETATM 471 CA DVA B 8 -6.135 5.491 0.862 1.00 0.00 C HETATM 472 CB DVA B 8 -7.429 5.890 1.599 1.00 0.00 C HETATM 473 CG1 DVA B 8 -8.133 7.051 0.883 1.00 0.00 C HETATM 474 CG2 DVA B 8 -7.141 6.330 3.043 1.00 0.00 C HETATM 475 C DVA B 8 -6.414 5.076 -0.591 1.00 0.00 C HETATM 476 O DVA B 8 -7.291 4.245 -0.822 1.00 0.00 O HETATM 0 HG23 DVA B 8 -6.673 5.509 3.587 1.00 0.00 H new HETATM 0 HG22 DVA B 8 -6.470 7.189 3.035 1.00 0.00 H new HETATM 0 HG21 DVA B 8 -8.075 6.604 3.533 1.00 0.00 H new HETATM 0 HG13 DVA B 8 -7.469 7.915 0.850 1.00 0.00 H new HETATM 0 HG12 DVA B 8 -8.388 6.751 -0.133 1.00 0.00 H new HETATM 0 HG11 DVA B 8 -9.043 7.313 1.423 1.00 0.00 H new HETATM 0 HB DVA B 8 -8.069 5.007 1.604 1.00 0.00 H new HETATM 0 HA DVA B 8 -5.477 6.359 0.814 1.00 0.00 H new HETATM 0 H DVA B 8 -5.869 4.072 2.471 1.00 0.00 H new ATOM 486 N PRO B 9 -5.707 5.644 -1.584 1.00 0.00 N ATOM 487 CA PRO B 9 -4.608 6.592 -1.450 1.00 0.00 C ATOM 488 C PRO B 9 -5.127 8.028 -1.273 1.00 0.00 C ATOM 489 O PRO B 9 -6.273 8.299 -1.630 1.00 0.00 O ATOM 490 CB PRO B 9 -3.842 6.471 -2.766 1.00 0.00 C ATOM 491 CG PRO B 9 -4.974 6.243 -3.761 1.00 0.00 C ATOM 492 CD PRO B 9 -5.914 5.322 -2.986 1.00 0.00 C ATOM 0 HA PRO B 9 -3.993 6.379 -0.576 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.273 7.372 -2.993 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.135 5.642 -2.753 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.461 7.177 -4.042 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.618 5.779 -4.681 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -6.952 5.486 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -5.689 4.274 -3.185 1.00 0.00 H new HETATM 500 N SAR B 10 -4.313 8.963 -0.743 1.00 0.00 N HETATM 501 CA SAR B 10 -2.996 8.656 -0.160 1.00 0.00 C HETATM 502 C SAR B 10 -3.150 8.305 1.327 1.00 0.00 C HETATM 503 O SAR B 10 -4.267 8.358 1.839 1.00 0.00 O HETATM 504 CN SAR B 10 -4.825 10.327 -0.588 1.00 0.00 C HETATM 0 HN3 SAR B 10 -4.920 10.562 0.472 1.00 0.00 H new HETATM 0 HN2 SAR B 10 -4.135 11.030 -1.055 1.00 0.00 H new HETATM 0 HN1 SAR B 10 -5.801 10.406 -1.066 1.00 0.00 H new HETATM 0 HA3 SAR B 10 -2.538 7.823 -0.693 1.00 0.00 H new HETATM 0 HA2 SAR B 10 -2.330 9.512 -0.273 1.00 0.00 H new HETATM 510 N MVA B 11 -2.060 7.980 2.050 1.00 0.00 N HETATM 511 CN MVA B 11 -0.716 7.793 1.502 1.00 0.00 C HETATM 512 CA MVA B 11 -2.148 7.801 3.504 1.00 0.00 C HETATM 513 CB MVA B 11 -2.606 9.091 4.228 1.00 0.00 C HETATM 514 CG1 MVA B 11 -2.219 9.027 5.716 1.00 0.00 C HETATM 515 CG2 MVA B 11 -1.947 10.350 3.644 1.00 0.00 C HETATM 516 C MVA B 11 -2.989 6.555 3.842 1.00 0.00 C HETATM 517 O MVA B 11 -3.924 6.672 4.634 1.00 0.00 O HETATM 0 HG23 MVA B 11 -0.864 10.273 3.743 1.00 0.00 H new HETATM 0 HG22 MVA B 11 -2.209 10.443 2.590 1.00 0.00 H new HETATM 0 HG21 MVA B 11 -2.299 11.229 4.184 1.00 0.00 H new HETATM 0 HG13 MVA B 11 -2.700 8.166 6.180 1.00 0.00 H new HETATM 0 HG12 MVA B 11 -1.137 8.931 5.807 1.00 0.00 H new HETATM 0 HG11 MVA B 11 -2.545 9.939 6.216 1.00 0.00 H new HETATM 0 HN3 MVA B 11 -0.035 8.514 1.954 1.00 0.00 H new HETATM 0 HN2 MVA B 11 -0.371 6.782 1.721 1.00 0.00 H new HETATM 0 HN1 MVA B 11 -0.739 7.943 0.423 1.00 0.00 H new HETATM 0 HB MVA B 11 -3.686 9.152 4.096 1.00 0.00 H new HETATM 0 HA MVA B 11 -1.147 7.614 3.893 1.00 0.00 H new TER 529 MVA B 11