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 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+ 180:sc= -0.0249 (180deg=-0.0249) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.789 -14.156 -5.639 1.00 0.00 O ATOM 2 C5' DC A 1 2.983 -13.857 -4.274 1.00 0.00 C ATOM 3 C4' DC A 1 1.830 -12.993 -3.755 1.00 0.00 C ATOM 4 O4' DC A 1 2.005 -12.703 -2.378 1.00 0.00 O ATOM 5 C3' DC A 1 1.726 -11.635 -4.471 1.00 0.00 C ATOM 6 O3' DC A 1 0.686 -11.643 -5.438 1.00 0.00 O ATOM 7 C2' DC A 1 1.433 -10.662 -3.331 1.00 0.00 C ATOM 8 C1' DC A 1 1.198 -11.571 -2.136 1.00 0.00 C ATOM 9 N1 DC A 1 1.474 -10.874 -0.852 1.00 0.00 N ATOM 10 C2 DC A 1 0.397 -10.339 -0.141 1.00 0.00 C ATOM 11 O2 DC A 1 -0.742 -10.345 -0.602 1.00 0.00 O ATOM 12 N3 DC A 1 0.634 -9.788 1.081 1.00 0.00 N ATOM 13 C4 DC A 1 1.869 -9.737 1.597 1.00 0.00 C ATOM 14 N4 DC A 1 2.024 -9.226 2.823 1.00 0.00 N ATOM 15 C5 DC A 1 2.999 -10.239 0.866 1.00 0.00 C ATOM 16 C6 DC A 1 2.749 -10.797 -0.344 1.00 0.00 C ATOM 0 H5' DC A 1 3.929 -13.333 -4.140 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.045 -14.780 -3.697 1.00 0.00 H new ATOM 0 H4' DC A 1 0.928 -13.576 -3.941 1.00 0.00 H new ATOM 0 H3' DC A 1 2.625 -11.372 -5.028 1.00 0.00 H new ATOM 0 H2' DC A 1 2.268 -9.982 -3.160 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.559 -10.046 -3.544 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.532 -14.707 -5.962 1.00 0.00 H new ATOM 0 H1' DC A 1 0.156 -11.873 -2.028 1.00 0.00 H new ATOM 0 H41 DC A 1 2.953 -9.175 3.241 1.00 0.00 H new ATOM 0 H42 DC A 1 1.213 -8.887 3.341 1.00 0.00 H new ATOM 0 H5 DC A 1 4.002 -10.175 1.262 1.00 0.00 H new ATOM 0 H6 DC A 1 3.571 -11.191 -0.923 1.00 0.00 H new ATOM 29 P DC A 2 0.458 -10.417 -6.476 1.00 0.00 P ATOM 30 OP1 DC A 2 -0.446 -10.898 -7.545 1.00 0.00 O ATOM 31 OP2 DC A 2 1.785 -9.869 -6.837 1.00 0.00 O ATOM 32 O5' DC A 2 -0.330 -9.287 -5.625 1.00 0.00 O ATOM 33 C5' DC A 2 -1.684 -9.458 -5.245 1.00 0.00 C ATOM 34 C4' DC A 2 -2.211 -8.265 -4.436 1.00 0.00 C ATOM 35 O4' DC A 2 -1.538 -8.086 -3.206 1.00 0.00 O ATOM 36 C3' DC A 2 -2.124 -6.912 -5.156 1.00 0.00 C ATOM 37 O3' DC A 2 -3.373 -6.637 -5.774 1.00 0.00 O ATOM 38 C2' DC A 2 -1.787 -5.927 -4.026 1.00 0.00 C ATOM 39 C1' DC A 2 -1.907 -6.793 -2.769 1.00 0.00 C ATOM 40 N1 DC A 2 -1.066 -6.378 -1.606 1.00 0.00 N ATOM 41 C2 DC A 2 -1.682 -6.232 -0.361 1.00 0.00 C ATOM 42 O2 DC A 2 -2.899 -6.102 -0.265 1.00 0.00 O ATOM 43 N3 DC A 2 -0.911 -6.240 0.764 1.00 0.00 N ATOM 44 C4 DC A 2 0.423 -6.345 0.685 1.00 0.00 C ATOM 45 N4 DC A 2 1.130 -6.396 1.817 1.00 0.00 N ATOM 46 C5 DC A 2 1.090 -6.363 -0.587 1.00 0.00 C ATOM 47 C6 DC A 2 0.307 -6.375 -1.693 1.00 0.00 C ATOM 0 H5' DC A 2 -1.782 -10.368 -4.654 1.00 0.00 H new ATOM 0 H5'' DC A 2 -2.297 -9.590 -6.137 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.255 -8.540 -4.286 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.382 -6.864 -5.953 1.00 0.00 H new ATOM 0 H2' DC A 2 -0.785 -5.513 -4.137 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.479 -5.085 -4.004 1.00 0.00 H new ATOM 0 H1' DC A 2 -2.920 -6.713 -2.374 1.00 0.00 H new ATOM 0 H41 DC A 2 2.146 -6.476 1.780 1.00 0.00 H new ATOM 0 H42 DC A 2 0.654 -6.355 2.718 1.00 0.00 H new ATOM 0 H5 DC A 2 2.168 -6.367 -0.659 1.00 0.00 H new ATOM 0 H6 DC A 2 0.773 -6.382 -2.667 1.00 0.00 H new ATOM 59 P DG A 3 -3.500 -5.716 -7.098 1.00 0.00 P ATOM 60 OP1 DG A 3 -4.880 -5.858 -7.614 1.00 0.00 O ATOM 61 OP2 DG A 3 -2.355 -6.013 -7.987 1.00 0.00 O ATOM 62 O5' DG A 3 -3.324 -4.215 -6.543 1.00 0.00 O ATOM 63 C5' DG A 3 -4.439 -3.419 -6.185 1.00 0.00 C ATOM 64 C4' DG A 3 -3.953 -2.106 -5.568 1.00 0.00 C ATOM 65 O4' DG A 3 -3.312 -2.411 -4.336 1.00 0.00 O ATOM 66 C3' DG A 3 -2.939 -1.386 -6.478 1.00 0.00 C ATOM 67 O3' DG A 3 -3.261 -0.013 -6.662 1.00 0.00 O ATOM 68 C2' DG A 3 -1.652 -1.557 -5.677 1.00 0.00 C ATOM 69 C1' DG A 3 -2.166 -1.603 -4.237 1.00 0.00 C ATOM 70 N9 DG A 3 -1.184 -2.144 -3.259 1.00 0.00 N ATOM 71 C8 DG A 3 0.034 -2.738 -3.500 1.00 0.00 C ATOM 72 N7 DG A 3 0.668 -3.126 -2.433 1.00 0.00 N ATOM 73 C5 DG A 3 -0.174 -2.760 -1.394 1.00 0.00 C ATOM 74 C6 DG A 3 0.007 -2.911 0.014 1.00 0.00 C ATOM 75 O6 DG A 3 0.955 -3.396 0.627 1.00 0.00 O ATOM 76 N1 DG A 3 -1.066 -2.416 0.734 1.00 0.00 N ATOM 77 C2 DG A 3 -2.161 -1.794 0.182 1.00 0.00 C ATOM 78 N2 DG A 3 -3.038 -1.331 1.073 1.00 0.00 N ATOM 79 N3 DG A 3 -2.335 -1.622 -1.143 1.00 0.00 N ATOM 80 C4 DG A 3 -1.308 -2.142 -1.881 1.00 0.00 C ATOM 0 H5' DG A 3 -5.069 -3.955 -5.475 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.051 -3.215 -7.064 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.812 -1.449 -5.430 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.897 -1.783 -7.492 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.122 -2.470 -5.949 1.00 0.00 H new ATOM 0 H2'' DG A 3 -0.961 -0.729 -5.836 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.365 -0.605 -3.847 1.00 0.00 H new ATOM 0 H8 DG A 3 0.431 -2.871 -4.495 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.043 -2.520 1.748 1.00 0.00 H new ATOM 0 H21 DG A 3 -3.883 -0.854 0.757 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.864 -1.454 2.071 1.00 0.00 H new ATOM 92 P DT A 4 -2.706 0.816 -7.946 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.555 0.486 -9.112 1.00 0.00 O ATOM 94 OP2 DT A 4 -1.242 0.615 -8.023 1.00 0.00 O ATOM 95 O5' DT A 4 -2.943 2.367 -7.568 1.00 0.00 O ATOM 96 C5' DT A 4 -4.238 2.914 -7.412 1.00 0.00 C ATOM 97 C4' DT A 4 -4.173 4.292 -6.733 1.00 0.00 C ATOM 98 O4' DT A 4 -3.137 4.257 -5.760 1.00 0.00 O ATOM 99 C3' DT A 4 -3.882 5.475 -7.670 1.00 0.00 C ATOM 100 O3' DT A 4 -4.487 6.653 -7.159 1.00 0.00 O ATOM 101 C2' DT A 4 -2.362 5.531 -7.613 1.00 0.00 C ATOM 102 C1' DT A 4 -2.080 5.114 -6.164 1.00 0.00 C ATOM 103 N1 DT A 4 -0.730 4.509 -5.924 1.00 0.00 N ATOM 104 C2 DT A 4 -0.219 4.564 -4.623 1.00 0.00 C ATOM 105 O2 DT A 4 -0.836 5.032 -3.668 1.00 0.00 O ATOM 106 N3 DT A 4 1.051 4.033 -4.435 1.00 0.00 N ATOM 107 C4 DT A 4 1.844 3.435 -5.400 1.00 0.00 C ATOM 108 O4 DT A 4 2.967 3.030 -5.112 1.00 0.00 O ATOM 109 C5 DT A 4 1.211 3.327 -6.698 1.00 0.00 C ATOM 110 C7 DT A 4 1.914 2.601 -7.829 1.00 0.00 C ATOM 111 C6 DT A 4 -0.023 3.846 -6.910 1.00 0.00 C ATOM 0 H5' DT A 4 -4.853 2.239 -6.816 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.718 3.006 -8.386 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.166 4.463 -6.317 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.268 5.377 -8.685 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.902 4.851 -8.330 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.982 6.529 -7.831 1.00 0.00 H new ATOM 0 H1' DT A 4 -2.046 6.015 -5.552 1.00 0.00 H new ATOM 0 H3 DT A 4 1.438 4.089 -3.493 1.00 0.00 H new ATOM 0 H71 DT A 4 1.172 2.157 -8.493 1.00 0.00 H new ATOM 0 H72 DT A 4 2.526 3.307 -8.390 1.00 0.00 H new ATOM 0 H73 DT A 4 2.549 1.816 -7.418 1.00 0.00 H new ATOM 0 H6 DT A 4 -0.471 3.737 -7.887 1.00 0.00 H new ATOM 124 P DT A 5 -4.318 8.105 -7.863 1.00 0.00 P ATOM 125 OP1 DT A 5 -5.616 8.810 -7.782 1.00 0.00 O ATOM 126 OP2 DT A 5 -3.659 7.927 -9.176 1.00 0.00 O ATOM 127 O5' DT A 5 -3.280 8.841 -6.866 1.00 0.00 O ATOM 128 C5' DT A 5 -3.726 9.338 -5.619 1.00 0.00 C ATOM 129 C4' DT A 5 -2.576 9.589 -4.642 1.00 0.00 C ATOM 130 O4' DT A 5 -1.710 8.468 -4.551 1.00 0.00 O ATOM 131 C3' DT A 5 -1.705 10.828 -4.927 1.00 0.00 C ATOM 132 O3' DT A 5 -1.940 11.760 -3.875 1.00 0.00 O ATOM 133 C2' DT A 5 -0.300 10.218 -4.942 1.00 0.00 C ATOM 134 C1' DT A 5 -0.494 8.983 -4.065 1.00 0.00 C ATOM 135 N1 DT A 5 0.623 7.993 -4.084 1.00 0.00 N ATOM 136 C2 DT A 5 0.926 7.339 -2.887 1.00 0.00 C ATOM 137 O2 DT A 5 0.237 7.429 -1.873 1.00 0.00 O ATOM 138 N3 DT A 5 2.065 6.546 -2.887 1.00 0.00 N ATOM 139 C4 DT A 5 2.907 6.329 -3.968 1.00 0.00 C ATOM 140 O4 DT A 5 3.932 5.667 -3.827 1.00 0.00 O ATOM 141 C5 DT A 5 2.452 6.936 -5.206 1.00 0.00 C ATOM 142 C7 DT A 5 3.213 6.690 -6.494 1.00 0.00 C ATOM 143 C6 DT A 5 1.353 7.733 -5.223 1.00 0.00 C ATOM 0 H5' DT A 5 -4.425 8.627 -5.177 1.00 0.00 H new ATOM 0 H5'' DT A 5 -4.273 10.267 -5.777 1.00 0.00 H new ATOM 0 H4' DT A 5 -3.099 9.774 -3.704 1.00 0.00 H new ATOM 0 H3' DT A 5 -1.894 11.380 -5.848 1.00 0.00 H new ATOM 0 H2' DT A 5 0.024 9.958 -5.950 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.447 10.898 -4.533 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.507 9.234 -3.004 1.00 0.00 H new ATOM 0 H3 DT A 5 2.305 6.080 -2.012 1.00 0.00 H new ATOM 0 H71 DT A 5 2.524 6.732 -7.337 1.00 0.00 H new ATOM 0 H72 DT A 5 3.981 7.454 -6.615 1.00 0.00 H new ATOM 0 H73 DT A 5 3.682 5.707 -6.457 1.00 0.00 H new ATOM 0 H6 DT A 5 1.042 8.176 -6.157 1.00 0.00 H new ATOM 156 P DT A 6 -0.983 13.023 -3.531 1.00 0.00 P ATOM 157 OP1 DT A 6 -1.804 14.048 -2.850 1.00 0.00 O ATOM 158 OP2 DT A 6 -0.206 13.382 -4.738 1.00 0.00 O ATOM 159 O5' DT A 6 0.023 12.382 -2.439 1.00 0.00 O ATOM 160 C5' DT A 6 -0.474 11.853 -1.220 1.00 0.00 C ATOM 161 C4' DT A 6 0.523 10.883 -0.576 1.00 0.00 C ATOM 162 O4' DT A 6 1.261 10.200 -1.579 1.00 0.00 O ATOM 163 C3' DT A 6 1.536 11.500 0.404 1.00 0.00 C ATOM 164 O3' DT A 6 1.460 10.750 1.610 1.00 0.00 O ATOM 165 C2' DT A 6 2.856 11.304 -0.334 1.00 0.00 C ATOM 166 C1' DT A 6 2.580 10.020 -1.112 1.00 0.00 C ATOM 167 N1 DT A 6 3.520 9.826 -2.252 1.00 0.00 N ATOM 168 C2 DT A 6 4.308 8.674 -2.295 1.00 0.00 C ATOM 169 O2 DT A 6 4.274 7.797 -1.439 1.00 0.00 O ATOM 170 N3 DT A 6 5.139 8.533 -3.398 1.00 0.00 N ATOM 171 C4 DT A 6 5.234 9.413 -4.465 1.00 0.00 C ATOM 172 O4 DT A 6 6.000 9.173 -5.394 1.00 0.00 O ATOM 173 C5 DT A 6 4.369 10.575 -4.358 1.00 0.00 C ATOM 174 C7 DT A 6 4.365 11.614 -5.462 1.00 0.00 C ATOM 175 C6 DT A 6 3.565 10.741 -3.278 1.00 0.00 C ATOM 0 H5' DT A 6 -1.416 11.337 -1.404 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.687 12.669 -0.529 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.111 10.219 0.012 1.00 0.00 H new ATOM 0 H3' DT A 6 1.384 12.545 0.674 1.00 0.00 H new ATOM 0 H2' DT A 6 3.086 12.141 -0.993 1.00 0.00 H new ATOM 0 H2'' DT A 6 3.697 11.196 0.351 1.00 0.00 H new ATOM 0 H1' DT A 6 2.710 9.133 -0.492 1.00 0.00 H new ATOM 0 H3 DT A 6 5.735 7.706 -3.426 1.00 0.00 H new ATOM 0 H71 DT A 6 3.380 12.078 -5.521 1.00 0.00 H new ATOM 0 H72 DT A 6 5.113 12.377 -5.247 1.00 0.00 H new ATOM 0 H73 DT A 6 4.598 11.135 -6.413 1.00 0.00 H new ATOM 0 H6 DT A 6 2.940 11.620 -3.222 1.00 0.00 H new ATOM 188 P DT A 7 2.430 11.004 2.883 1.00 0.00 P ATOM 189 OP1 DT A 7 1.667 10.690 4.111 1.00 0.00 O ATOM 190 OP2 DT A 7 3.069 12.330 2.734 1.00 0.00 O ATOM 191 O5' DT A 7 3.563 9.869 2.696 1.00 0.00 O ATOM 192 C5' DT A 7 3.234 8.493 2.775 1.00 0.00 C ATOM 193 C4' DT A 7 4.423 7.615 2.375 1.00 0.00 C ATOM 194 O4' DT A 7 4.988 8.078 1.167 1.00 0.00 O ATOM 195 C3' DT A 7 5.571 7.547 3.397 1.00 0.00 C ATOM 196 O3' DT A 7 5.717 6.190 3.774 1.00 0.00 O ATOM 197 C2' DT A 7 6.801 7.963 2.582 1.00 0.00 C ATOM 198 C1' DT A 7 6.325 7.637 1.164 1.00 0.00 C ATOM 199 N1 DT A 7 7.104 8.251 0.048 1.00 0.00 N ATOM 200 C2 DT A 7 7.874 7.407 -0.756 1.00 0.00 C ATOM 201 O2 DT A 7 8.107 6.233 -0.474 1.00 0.00 O ATOM 202 N3 DT A 7 8.385 7.956 -1.926 1.00 0.00 N ATOM 203 C4 DT A 7 8.204 9.262 -2.361 1.00 0.00 C ATOM 204 O4 DT A 7 8.691 9.629 -3.427 1.00 0.00 O ATOM 205 C5 DT A 7 7.418 10.085 -1.460 1.00 0.00 C ATOM 206 C7 DT A 7 7.132 11.532 -1.817 1.00 0.00 C ATOM 207 C6 DT A 7 6.913 9.567 -0.312 1.00 0.00 C ATOM 0 H5' DT A 7 2.387 8.281 2.123 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.924 8.248 3.791 1.00 0.00 H new ATOM 0 H4' DT A 7 3.992 6.617 2.294 1.00 0.00 H new ATOM 0 H3' DT A 7 5.419 8.161 4.285 1.00 0.00 H new ATOM 0 H2' DT A 7 7.041 9.019 2.705 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.691 7.399 2.860 1.00 0.00 H new ATOM 0 H1' DT A 7 6.458 6.575 0.959 1.00 0.00 H new ATOM 0 H3 DT A 7 8.944 7.343 -2.520 1.00 0.00 H new ATOM 0 H71 DT A 7 6.175 11.830 -1.389 1.00 0.00 H new ATOM 0 H72 DT A 7 7.922 12.168 -1.418 1.00 0.00 H new ATOM 0 H73 DT A 7 7.093 11.638 -2.901 1.00 0.00 H new ATOM 0 H6 DT A 7 6.341 10.209 0.342 1.00 0.00 H new ATOM 220 P DG A 8 6.204 5.705 5.234 1.00 0.00 P ATOM 221 OP1 DG A 8 6.322 6.866 6.145 1.00 0.00 O ATOM 222 OP2 DG A 8 7.344 4.779 5.057 1.00 0.00 O ATOM 223 O5' DG A 8 4.899 4.843 5.625 1.00 0.00 O ATOM 224 C5' DG A 8 3.798 5.380 6.339 1.00 0.00 C ATOM 225 C4' DG A 8 2.502 4.849 5.720 1.00 0.00 C ATOM 226 O4' DG A 8 2.562 4.795 4.312 1.00 0.00 O ATOM 227 C3' DG A 8 2.074 3.472 6.240 1.00 0.00 C ATOM 228 O3' DG A 8 1.119 3.646 7.278 1.00 0.00 O ATOM 229 C2' DG A 8 1.492 2.829 4.978 1.00 0.00 C ATOM 230 C1' DG A 8 1.559 3.900 3.888 1.00 0.00 C ATOM 231 N9 DG A 8 1.937 3.414 2.540 1.00 0.00 N ATOM 232 C8 DG A 8 3.149 2.889 2.170 1.00 0.00 C ATOM 233 N7 DG A 8 3.337 2.823 0.883 1.00 0.00 N ATOM 234 C5 DG A 8 2.169 3.352 0.349 1.00 0.00 C ATOM 235 C6 DG A 8 1.828 3.609 -1.013 1.00 0.00 C ATOM 236 O6 DG A 8 2.495 3.380 -2.018 1.00 0.00 O ATOM 237 N1 DG A 8 0.580 4.206 -1.147 1.00 0.00 N ATOM 238 C2 DG A 8 -0.255 4.503 -0.090 1.00 0.00 C ATOM 239 N2 DG A 8 -1.409 5.089 -0.413 1.00 0.00 N ATOM 240 N3 DG A 8 0.050 4.248 1.196 1.00 0.00 N ATOM 241 C4 DG A 8 1.288 3.691 1.352 1.00 0.00 C ATOM 0 H5' DG A 8 3.817 6.469 6.299 1.00 0.00 H new ATOM 0 H5'' DG A 8 3.857 5.099 7.391 1.00 0.00 H new ATOM 0 H4' DG A 8 1.752 5.575 6.034 1.00 0.00 H new ATOM 0 H3' DG A 8 2.861 2.860 6.681 1.00 0.00 H new ATOM 0 H2' DG A 8 2.063 1.945 4.692 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.465 2.505 5.144 1.00 0.00 H new ATOM 0 H1' DG A 8 0.562 4.325 3.776 1.00 0.00 H new ATOM 0 H8 DG A 8 3.886 2.558 2.886 1.00 0.00 H new ATOM 0 H1 DG A 8 0.261 4.439 -2.087 1.00 0.00 H new ATOM 0 H21 DG A 8 -2.077 5.338 0.317 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.624 5.288 -1.390 1.00 0.00 H new ATOM 253 P DT A 9 1.051 2.686 8.583 1.00 0.00 P ATOM 254 OP1 DT A 9 0.313 3.417 9.637 1.00 0.00 O ATOM 255 OP2 DT A 9 2.409 2.174 8.870 1.00 0.00 O ATOM 256 O5' DT A 9 0.139 1.447 8.106 1.00 0.00 O ATOM 257 C5' DT A 9 -1.263 1.580 7.976 1.00 0.00 C ATOM 258 C4' DT A 9 -1.884 0.265 7.507 1.00 0.00 C ATOM 259 O4' DT A 9 -1.278 -0.180 6.315 1.00 0.00 O ATOM 260 C3' DT A 9 -1.706 -0.899 8.480 1.00 0.00 C ATOM 261 O3' DT A 9 -2.642 -0.808 9.543 1.00 0.00 O ATOM 262 C2' DT A 9 -1.937 -2.086 7.544 1.00 0.00 C ATOM 263 C1' DT A 9 -1.620 -1.541 6.146 1.00 0.00 C ATOM 264 N1 DT A 9 -0.504 -2.262 5.473 1.00 0.00 N ATOM 265 C2 DT A 9 -0.681 -2.684 4.153 1.00 0.00 C ATOM 266 O2 DT A 9 -1.730 -2.528 3.530 1.00 0.00 O ATOM 267 N3 DT A 9 0.416 -3.278 3.539 1.00 0.00 N ATOM 268 C4 DT A 9 1.649 -3.508 4.130 1.00 0.00 C ATOM 269 O4 DT A 9 2.534 -4.085 3.502 1.00 0.00 O ATOM 270 C5 DT A 9 1.771 -2.991 5.483 1.00 0.00 C ATOM 271 C7 DT A 9 3.093 -3.117 6.216 1.00 0.00 C ATOM 272 C6 DT A 9 0.717 -2.393 6.096 1.00 0.00 C ATOM 0 H5' DT A 9 -1.495 2.373 7.264 1.00 0.00 H new ATOM 0 H5'' DT A 9 -1.697 1.873 8.932 1.00 0.00 H new ATOM 0 H4' DT A 9 -2.941 0.506 7.398 1.00 0.00 H new ATOM 0 H3' DT A 9 -0.748 -0.951 8.997 1.00 0.00 H new ATOM 0 H2' DT A 9 -1.289 -2.925 7.799 1.00 0.00 H new ATOM 0 H2'' DT A 9 -2.964 -2.446 7.606 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.490 -1.678 5.504 1.00 0.00 H new ATOM 0 H3 DT A 9 0.304 -3.570 2.568 1.00 0.00 H new ATOM 0 H71 DT A 9 3.203 -2.286 6.913 1.00 0.00 H new ATOM 0 H72 DT A 9 3.116 -4.058 6.766 1.00 0.00 H new ATOM 0 H73 DT A 9 3.911 -3.098 5.496 1.00 0.00 H new ATOM 0 H6 DT A 9 0.840 -2.010 7.098 1.00 0.00 H new ATOM 285 P DG A 10 -2.940 -2.031 10.562 1.00 0.00 P ATOM 286 OP1 DG A 10 -3.478 -1.465 11.819 1.00 0.00 O ATOM 287 OP2 DG A 10 -1.757 -2.919 10.600 1.00 0.00 O ATOM 288 O5' DG A 10 -4.137 -2.813 9.812 1.00 0.00 O ATOM 289 C5' DG A 10 -5.387 -2.186 9.586 1.00 0.00 C ATOM 290 C4' DG A 10 -6.219 -2.941 8.542 1.00 0.00 C ATOM 291 O4' DG A 10 -5.393 -3.258 7.430 1.00 0.00 O ATOM 292 C3' DG A 10 -6.835 -4.254 9.038 1.00 0.00 C ATOM 293 O3' DG A 10 -8.055 -4.422 8.330 1.00 0.00 O ATOM 294 C2' DG A 10 -5.750 -5.252 8.644 1.00 0.00 C ATOM 295 C1' DG A 10 -5.277 -4.665 7.316 1.00 0.00 C ATOM 296 N9 DG A 10 -3.894 -5.057 6.943 1.00 0.00 N ATOM 297 C8 DG A 10 -2.817 -5.365 7.740 1.00 0.00 C ATOM 298 N7 DG A 10 -1.731 -5.666 7.084 1.00 0.00 N ATOM 299 C5 DG A 10 -2.106 -5.560 5.751 1.00 0.00 C ATOM 300 C6 DG A 10 -1.357 -5.818 4.562 1.00 0.00 C ATOM 301 O6 DG A 10 -0.185 -6.171 4.465 1.00 0.00 O ATOM 302 N1 DG A 10 -2.113 -5.625 3.407 1.00 0.00 N ATOM 303 C2 DG A 10 -3.438 -5.233 3.402 1.00 0.00 C ATOM 304 N2 DG A 10 -4.046 -5.139 2.219 1.00 0.00 N ATOM 305 N3 DG A 10 -4.144 -4.999 4.518 1.00 0.00 N ATOM 306 C4 DG A 10 -3.424 -5.181 5.656 1.00 0.00 C ATOM 0 H5' DG A 10 -5.225 -1.162 9.251 1.00 0.00 H new ATOM 0 H5'' DG A 10 -5.941 -2.131 10.523 1.00 0.00 H new ATOM 0 H4' DG A 10 -7.041 -2.272 8.289 1.00 0.00 H new ATOM 0 H3' DG A 10 -7.084 -4.337 10.096 1.00 0.00 H new ATOM 0 H2' DG A 10 -4.949 -5.301 9.381 1.00 0.00 H new ATOM 0 H2'' DG A 10 -6.142 -6.263 8.531 1.00 0.00 H new ATOM 0 H1' DG A 10 -5.897 -5.062 6.512 1.00 0.00 H new ATOM 0 H8 DG A 10 -2.866 -5.358 8.819 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.659 -5.783 2.508 1.00 0.00 H new ATOM 0 H21 DG A 10 -5.024 -4.853 2.169 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.533 -5.353 1.364 1.00 0.00 H new ATOM 318 P DG A 11 -8.941 -5.772 8.368 1.00 0.00 P ATOM 319 OP1 DG A 11 -10.369 -5.389 8.312 1.00 0.00 O ATOM 320 OP2 DG A 11 -8.455 -6.642 9.462 1.00 0.00 O ATOM 321 O5' DG A 11 -8.544 -6.444 6.956 1.00 0.00 O ATOM 322 C5' DG A 11 -8.934 -5.840 5.735 1.00 0.00 C ATOM 323 C4' DG A 11 -8.418 -6.642 4.539 1.00 0.00 C ATOM 324 O4' DG A 11 -7.001 -6.655 4.526 1.00 0.00 O ATOM 325 C3' DG A 11 -8.887 -8.107 4.549 1.00 0.00 C ATOM 326 O3' DG A 11 -9.540 -8.419 3.336 1.00 0.00 O ATOM 327 C2' DG A 11 -7.580 -8.886 4.638 1.00 0.00 C ATOM 328 C1' DG A 11 -6.613 -7.900 3.991 1.00 0.00 C ATOM 329 N9 DG A 11 -5.200 -8.206 4.301 1.00 0.00 N ATOM 330 C8 DG A 11 -4.580 -8.264 5.523 1.00 0.00 C ATOM 331 N7 DG A 11 -3.307 -8.538 5.464 1.00 0.00 N ATOM 332 C5 DG A 11 -3.059 -8.678 4.103 1.00 0.00 C ATOM 333 C6 DG A 11 -1.841 -8.962 3.414 1.00 0.00 C ATOM 334 O6 DG A 11 -0.718 -9.119 3.889 1.00 0.00 O ATOM 335 N1 DG A 11 -2.023 -9.054 2.037 1.00 0.00 N ATOM 336 C2 DG A 11 -3.231 -8.871 1.390 1.00 0.00 C ATOM 337 N2 DG A 11 -3.247 -9.041 0.063 1.00 0.00 N ATOM 338 N3 DG A 11 -4.369 -8.569 2.034 1.00 0.00 N ATOM 339 C4 DG A 11 -4.216 -8.490 3.384 1.00 0.00 C ATOM 0 H5' DG A 11 -8.548 -4.822 5.689 1.00 0.00 H new ATOM 0 H5'' DG A 11 -10.021 -5.771 5.690 1.00 0.00 H new ATOM 0 H4' DG A 11 -8.823 -6.147 3.657 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.587 -8.327 5.355 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.306 -9.117 5.667 1.00 0.00 H new ATOM 0 H2'' DG A 11 -7.626 -9.833 4.100 1.00 0.00 H new ATOM 0 HO3' DG A 11 -9.833 -9.354 3.353 1.00 0.00 H new ATOM 0 H1' DG A 11 -6.663 -7.932 2.903 1.00 0.00 H new ATOM 0 H8 DG A 11 -5.102 -8.097 6.454 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.207 -9.272 1.465 1.00 0.00 H new ATOM 0 H21 DG A 11 -4.116 -8.917 -0.457 1.00 0.00 H new ATOM 0 H22 DG A 11 -2.390 -9.295 -0.429 1.00 0.00 H new TER 352 DG A 11 ATOM 353 N THR B 1 -3.645 1.166 -1.640 1.00 0.00 N ATOM 354 CA THR B 1 -5.087 1.412 -1.586 1.00 0.00 C ATOM 355 C THR B 1 -5.692 0.863 -0.298 1.00 0.00 C ATOM 356 O THR B 1 -5.445 -0.289 0.029 1.00 0.00 O ATOM 357 CB THR B 1 -5.798 0.711 -2.759 1.00 0.00 C ATOM 358 OG1 THR B 1 -5.516 -0.688 -2.692 1.00 0.00 O ATOM 359 CG2 THR B 1 -5.370 1.241 -4.131 1.00 0.00 C ATOM 0 H3 THR B 1 -3.260 1.550 -2.527 1.00 0.00 H new ATOM 0 HA THR B 1 -5.226 2.492 -1.637 1.00 0.00 H new ATOM 0 HB THR B 1 -6.864 0.913 -2.660 1.00 0.00 H new ATOM 0 HG21 THR B 1 -5.908 0.705 -4.912 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.598 2.305 -4.198 1.00 0.00 H new ATOM 0 HG23 THR B 1 -4.298 1.091 -4.261 1.00 0.00 H new HETATM 366 N DVA B 2 -6.550 1.632 0.381 1.00 0.00 N HETATM 367 CA DVA B 2 -7.460 1.111 1.397 1.00 0.00 C HETATM 368 CB DVA B 2 -8.854 1.737 1.197 1.00 0.00 C HETATM 369 CG1 DVA B 2 -9.865 1.185 2.210 1.00 0.00 C HETATM 370 CG2 DVA B 2 -9.388 1.453 -0.215 1.00 0.00 C HETATM 371 C DVA B 2 -6.905 1.383 2.805 1.00 0.00 C HETATM 372 O DVA B 2 -6.934 2.534 3.242 1.00 0.00 O HETATM 0 HG23 DVA B 2 -8.706 1.875 -0.953 1.00 0.00 H new HETATM 0 HG22 DVA B 2 -9.464 0.376 -0.365 1.00 0.00 H new HETATM 0 HG21 DVA B 2 -10.373 1.906 -0.329 1.00 0.00 H new HETATM 0 HG13 DVA B 2 -9.950 0.105 2.088 1.00 0.00 H new HETATM 0 HG12 DVA B 2 -9.527 1.410 3.221 1.00 0.00 H new HETATM 0 HG11 DVA B 2 -10.838 1.647 2.042 1.00 0.00 H new HETATM 0 HB DVA B 2 -8.739 2.811 1.343 1.00 0.00 H new HETATM 0 HA DVA B 2 -7.552 0.030 1.293 1.00 0.00 H new HETATM 0 H DVA B 2 -6.887 2.304 -0.309 1.00 0.00 H new ATOM 382 N PRO B 3 -6.410 0.371 3.544 1.00 0.00 N ATOM 383 CA PRO B 3 -6.267 -1.028 3.151 1.00 0.00 C ATOM 384 C PRO B 3 -7.629 -1.734 3.065 1.00 0.00 C ATOM 385 O PRO B 3 -8.525 -1.374 3.828 1.00 0.00 O ATOM 386 CB PRO B 3 -5.386 -1.663 4.229 1.00 0.00 C ATOM 387 CG PRO B 3 -5.698 -0.828 5.469 1.00 0.00 C ATOM 388 CD PRO B 3 -5.894 0.569 4.888 1.00 0.00 C ATOM 0 HA PRO B 3 -5.825 -1.118 2.159 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.629 -2.715 4.380 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.329 -1.614 3.966 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.592 -1.183 5.982 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.883 -0.856 6.192 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.591 1.150 5.493 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -4.954 1.120 4.868 1.00 0.00 H new HETATM 396 N SAR B 4 -7.829 -2.718 2.161 1.00 0.00 N HETATM 397 CA SAR B 4 -6.823 -3.256 1.236 1.00 0.00 C HETATM 398 C SAR B 4 -7.027 -2.767 -0.211 1.00 0.00 C HETATM 399 O SAR B 4 -7.937 -1.977 -0.456 1.00 0.00 O HETATM 400 CN SAR B 4 -9.150 -3.334 2.076 1.00 0.00 C HETATM 0 HN3 SAR B 4 -9.551 -3.198 1.072 1.00 0.00 H new HETATM 0 HN2 SAR B 4 -9.069 -4.399 2.294 1.00 0.00 H new HETATM 0 HN1 SAR B 4 -9.817 -2.865 2.799 1.00 0.00 H new HETATM 0 HA3 SAR B 4 -5.829 -2.966 1.577 1.00 0.00 H new HETATM 0 HA2 SAR B 4 -6.862 -4.345 1.256 1.00 0.00 H new HETATM 406 N MVA B 5 -6.205 -3.252 -1.169 1.00 0.00 N HETATM 407 CN MVA B 5 -5.081 -4.119 -0.819 1.00 0.00 C HETATM 408 CA MVA B 5 -6.383 -2.979 -2.608 1.00 0.00 C HETATM 409 CB MVA B 5 -7.411 -3.936 -3.259 1.00 0.00 C HETATM 410 CG1 MVA B 5 -6.890 -5.380 -3.261 1.00 0.00 C HETATM 411 CG2 MVA B 5 -8.809 -3.931 -2.623 1.00 0.00 C HETATM 412 C MVA B 5 -6.600 -1.494 -2.942 1.00 0.00 C HETATM 413 O MVA B 5 -7.669 -1.134 -3.434 1.00 0.00 O HETATM 0 HG23 MVA B 5 -8.734 -4.225 -1.576 1.00 0.00 H new HETATM 0 HG22 MVA B 5 -9.235 -2.930 -2.689 1.00 0.00 H new HETATM 0 HG21 MVA B 5 -9.452 -4.634 -3.152 1.00 0.00 H new HETATM 0 HG13 MVA B 5 -5.959 -5.430 -3.825 1.00 0.00 H new HETATM 0 HG12 MVA B 5 -6.711 -5.704 -2.236 1.00 0.00 H new HETATM 0 HG11 MVA B 5 -7.630 -6.033 -3.723 1.00 0.00 H new HETATM 0 HN3 MVA B 5 -5.207 -5.089 -1.299 1.00 0.00 H new HETATM 0 HN2 MVA B 5 -4.151 -3.664 -1.159 1.00 0.00 H new HETATM 0 HN1 MVA B 5 -5.046 -4.251 0.262 1.00 0.00 H new HETATM 0 HB MVA B 5 -7.524 -3.548 -4.271 1.00 0.00 H new HETATM 0 HA MVA B 5 -5.427 -3.206 -3.079 1.00 0.00 H new HETATM 425 C1 PXZ B 6 -1.465 1.570 -2.516 1.00 0.00 C HETATM 426 C PXZ B 6 -2.786 1.992 -2.259 1.00 0.00 C HETATM 427 O PXZ B 6 -3.145 3.088 -2.689 1.00 0.00 O HETATM 428 C2 PXZ B 6 -0.997 1.511 -3.848 1.00 0.00 C HETATM 429 N2 PXZ B 6 -1.763 1.912 -4.870 1.00 0.00 N HETATM 430 C3 PXZ B 6 0.271 0.986 -4.137 1.00 0.00 C HETATM 431 O3 PXZ B 6 0.706 0.885 -5.496 1.00 0.00 O HETATM 432 C4 PXZ B 6 1.115 0.563 -3.105 1.00 0.00 C HETATM 433 O5 PXZ B 6 1.482 0.197 -0.794 1.00 0.00 O HETATM 434 C6 PXZ B 6 1.874 -0.298 1.489 1.00 0.00 C HETATM 435 C7 PXZ B 6 1.419 -0.311 2.813 1.00 0.00 C HETATM 436 C8 PXZ B 6 0.148 0.190 3.122 1.00 0.00 C HETATM 437 C9 PXZ B 6 -0.654 0.804 2.142 1.00 0.00 C HETATM 438 C' PXZ B 6 -1.899 1.346 2.530 1.00 0.00 C HETATM 439 O' PXZ B 6 -2.572 0.704 3.338 1.00 0.00 O HETATM 440 N10 PXZ B 6 -1.002 1.239 -0.189 1.00 0.00 N HETATM 441 C11 PXZ B 6 -0.612 1.152 -1.474 1.00 0.00 C HETATM 442 C12 PXZ B 6 0.670 0.634 -1.774 1.00 0.00 C HETATM 443 C13 PXZ B 6 1.054 0.242 0.481 1.00 0.00 C HETATM 444 C14 PXZ B 6 -0.210 0.795 0.802 1.00 0.00 C HETATM 445 C15 PXZ B 6 2.501 0.036 -3.432 1.00 0.00 C HETATM 446 C16 PXZ B 6 3.231 -0.889 1.151 1.00 0.00 C HETATM 0 HN22 PXZ B 6 -1.407 1.862 -5.825 1.00 0.00 H new HETATM 0 HN21 PXZ B 6 -2.703 2.268 -4.694 1.00 0.00 H new HETATM 0 H163 PXZ B 6 4.007 -0.358 1.703 1.00 0.00 H new HETATM 0 H162 PXZ B 6 3.247 -1.944 1.426 1.00 0.00 H new HETATM 0 H161 PXZ B 6 3.415 -0.790 0.081 1.00 0.00 H new HETATM 0 H153 PXZ B 6 2.415 -0.837 -4.079 1.00 0.00 H new HETATM 0 H152 PXZ B 6 3.074 0.810 -3.942 1.00 0.00 H new HETATM 0 H151 PXZ B 6 3.011 -0.244 -2.510 1.00 0.00 H new HETATM 0 H8 PXZ B 6 -0.227 0.103 4.142 1.00 0.00 H new HETATM 0 H7 PXZ B 6 2.054 -0.711 3.603 1.00 0.00 H new ATOM 457 N THR B 7 -2.316 2.541 2.074 1.00 0.00 N ATOM 458 CA THR B 7 -3.569 3.165 2.513 1.00 0.00 C ATOM 459 C THR B 7 -4.305 3.877 1.376 1.00 0.00 C ATOM 460 O THR B 7 -3.800 3.973 0.263 1.00 0.00 O ATOM 461 CB THR B 7 -3.339 4.154 3.677 1.00 0.00 C ATOM 462 OG1 THR B 7 -2.673 5.336 3.217 1.00 0.00 O ATOM 463 CG2 THR B 7 -2.551 3.537 4.836 1.00 0.00 C ATOM 0 HA THR B 7 -4.198 2.346 2.861 1.00 0.00 H new ATOM 0 HB THR B 7 -4.328 4.414 4.055 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.421 4.279 5.623 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.097 2.680 5.231 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.574 3.212 4.479 1.00 0.00 H new HETATM 470 N DVA B 8 -5.490 4.411 1.698 1.00 0.00 N HETATM 471 CA DVA B 8 -6.179 5.479 0.984 1.00 0.00 C HETATM 472 CB DVA B 8 -7.466 5.866 1.740 1.00 0.00 C HETATM 473 CG1 DVA B 8 -8.175 7.041 1.050 1.00 0.00 C HETATM 474 CG2 DVA B 8 -7.172 6.280 3.191 1.00 0.00 C HETATM 475 C DVA B 8 -6.468 5.085 -0.471 1.00 0.00 C HETATM 476 O DVA B 8 -7.320 4.230 -0.700 1.00 0.00 O HETATM 0 HG23 DVA B 8 -6.702 5.450 3.718 1.00 0.00 H new HETATM 0 HG22 DVA B 8 -6.501 7.139 3.195 1.00 0.00 H new HETATM 0 HG21 DVA B 8 -8.104 6.545 3.690 1.00 0.00 H new HETATM 0 HG13 DVA B 8 -7.510 7.904 1.027 1.00 0.00 H new HETATM 0 HG12 DVA B 8 -8.439 6.759 0.031 1.00 0.00 H new HETATM 0 HG11 DVA B 8 -9.080 7.295 1.602 1.00 0.00 H new HETATM 0 HB DVA B 8 -8.103 4.982 1.735 1.00 0.00 H new HETATM 0 HA DVA B 8 -5.528 6.352 0.946 1.00 0.00 H new HETATM 0 H DVA B 8 -5.882 4.040 2.563 1.00 0.00 H new ATOM 486 N PRO B 9 -5.788 5.687 -1.462 1.00 0.00 N ATOM 487 CA PRO B 9 -4.698 6.646 -1.325 1.00 0.00 C ATOM 488 C PRO B 9 -5.226 8.071 -1.093 1.00 0.00 C ATOM 489 O PRO B 9 -6.375 8.348 -1.434 1.00 0.00 O ATOM 490 CB PRO B 9 -3.968 6.578 -2.665 1.00 0.00 C ATOM 491 CG PRO B 9 -5.118 6.344 -3.639 1.00 0.00 C ATOM 492 CD PRO B 9 -6.005 5.375 -2.864 1.00 0.00 C ATOM 0 HA PRO B 9 -4.061 6.412 -0.472 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.429 7.500 -2.884 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.239 5.768 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.641 7.269 -3.882 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.773 5.916 -4.581 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -7.053 5.499 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -5.740 4.340 -3.081 1.00 0.00 H new HETATM 500 N SAR B 10 -4.409 8.994 -0.546 1.00 0.00 N HETATM 501 CA SAR B 10 -3.088 8.693 0.010 1.00 0.00 C HETATM 502 C SAR B 10 -3.213 8.295 1.488 1.00 0.00 C HETATM 503 O SAR B 10 -4.323 8.311 2.018 1.00 0.00 O HETATM 504 CN SAR B 10 -4.879 10.368 -0.386 1.00 0.00 C HETATM 0 HN3 SAR B 10 -4.937 10.611 0.675 1.00 0.00 H new HETATM 0 HN2 SAR B 10 -4.184 11.050 -0.877 1.00 0.00 H new HETATM 0 HN1 SAR B 10 -5.866 10.470 -0.836 1.00 0.00 H new HETATM 0 HA3 SAR B 10 -2.624 7.884 -0.554 1.00 0.00 H new HETATM 0 HA2 SAR B 10 -2.438 9.563 -0.086 1.00 0.00 H new HETATM 510 N MVA B 11 -2.106 7.972 2.186 1.00 0.00 N HETATM 511 CN MVA B 11 -0.762 7.877 1.617 1.00 0.00 C HETATM 512 CA MVA B 11 -2.170 7.727 3.631 1.00 0.00 C HETATM 513 CB MVA B 11 -2.614 8.982 4.421 1.00 0.00 C HETATM 514 CG1 MVA B 11 -2.179 8.852 5.892 1.00 0.00 C HETATM 515 CG2 MVA B 11 -1.986 10.274 3.876 1.00 0.00 C HETATM 516 C MVA B 11 -3.007 6.469 3.931 1.00 0.00 C HETATM 517 O MVA B 11 -3.920 6.551 4.754 1.00 0.00 O HETATM 0 HG23 MVA B 11 -0.900 10.205 3.939 1.00 0.00 H new HETATM 0 HG22 MVA B 11 -2.281 10.411 2.836 1.00 0.00 H new HETATM 0 HG21 MVA B 11 -2.331 11.123 4.466 1.00 0.00 H new HETATM 0 HG13 MVA B 11 -2.641 7.968 6.331 1.00 0.00 H new HETATM 0 HG12 MVA B 11 -1.094 8.759 5.944 1.00 0.00 H new HETATM 0 HG11 MVA B 11 -2.494 9.738 6.444 1.00 0.00 H new HETATM 0 HN3 MVA B 11 -0.113 8.612 2.093 1.00 0.00 H new HETATM 0 HN2 MVA B 11 -0.364 6.877 1.788 1.00 0.00 H new HETATM 0 HN1 MVA B 11 -0.806 8.072 0.545 1.00 0.00 H new HETATM 0 HB MVA B 11 -3.698 9.042 4.321 1.00 0.00 H new HETATM 0 HA MVA B 11 -1.162 7.520 3.990 1.00 0.00 H new TER 529 MVA B 11