USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 hydrogens (0 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 Single : A 1 MET CE :methyl 158:sc= -0.0885 (180deg=-0.491) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.137 (180deg=-0.84) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -102:sc= 1.19 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.570 16.504 0.752 1.00 0.00 N ATOM 2 CA MET A 1 -17.930 16.798 -0.557 1.00 0.00 C ATOM 3 C MET A 1 -16.602 16.061 -0.699 1.00 0.00 C ATOM 4 O MET A 1 -15.598 16.448 -0.101 1.00 0.00 O ATOM 5 CB MET A 1 -17.709 18.309 -0.663 1.00 0.00 C ATOM 6 CG MET A 1 -16.791 18.867 0.412 1.00 0.00 C ATOM 7 SD MET A 1 -17.003 20.641 0.654 1.00 0.00 S ATOM 8 CE MET A 1 -18.612 20.685 1.441 1.00 0.00 C ATOM 0 H1 MET A 1 -19.191 17.294 1.020 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.133 15.633 0.675 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.835 16.379 1.477 1.00 0.00 H new ATOM 0 HA MET A 1 -18.583 16.456 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.289 18.538 -1.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.673 18.814 -0.603 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.983 18.350 1.352 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.755 18.662 0.142 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.720 21.617 1.996 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.391 20.623 0.681 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.705 19.842 2.126 1.00 0.00 H new ATOM 20 N LYS A 2 -16.605 14.997 -1.495 1.00 0.00 N ATOM 21 CA LYS A 2 -15.399 14.205 -1.718 1.00 0.00 C ATOM 22 C LYS A 2 -14.892 14.344 -3.140 1.00 0.00 C ATOM 23 O LYS A 2 -14.061 13.549 -3.575 1.00 0.00 O ATOM 24 CB LYS A 2 -15.647 12.730 -1.426 1.00 0.00 C ATOM 25 CG LYS A 2 -16.992 12.224 -1.927 1.00 0.00 C ATOM 26 CD LYS A 2 -17.057 12.199 -3.447 1.00 0.00 C ATOM 27 CE LYS A 2 -15.937 11.360 -4.039 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.910 11.439 -5.526 1.00 0.00 N ATOM 0 H LYS A 2 -17.428 14.663 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.644 14.590 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.853 12.140 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.585 12.567 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.170 11.221 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.787 12.861 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.020 11.798 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.993 13.217 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.981 11.698 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.061 10.321 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.132 10.853 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.813 11.093 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.766 12.427 -5.819 1.00 0.00 H new ATOM 42 N ASP A 3 -15.394 15.346 -3.864 1.00 0.00 N ATOM 43 CA ASP A 3 -14.983 15.572 -5.249 1.00 0.00 C ATOM 44 C ASP A 3 -13.605 14.975 -5.500 1.00 0.00 C ATOM 45 O ASP A 3 -13.408 14.199 -6.436 1.00 0.00 O ATOM 46 CB ASP A 3 -14.974 17.069 -5.565 1.00 0.00 C ATOM 47 CG ASP A 3 -14.629 17.352 -7.014 1.00 0.00 C ATOM 48 OD1 ASP A 3 -15.131 16.625 -7.897 1.00 0.00 O ATOM 49 OD2 ASP A 3 -13.858 18.302 -7.266 1.00 0.00 O ATOM 0 H ASP A 3 -16.084 16.012 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.701 15.080 -5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.953 17.491 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.253 17.570 -4.918 1.00 0.00 H new ATOM 54 N LEU A 4 -12.662 15.325 -4.632 1.00 0.00 N ATOM 55 CA LEU A 4 -11.306 14.804 -4.728 1.00 0.00 C ATOM 56 C LEU A 4 -10.935 13.982 -3.495 1.00 0.00 C ATOM 57 O LEU A 4 -10.051 13.128 -3.554 1.00 0.00 O ATOM 58 CB LEU A 4 -10.305 15.943 -4.927 1.00 0.00 C ATOM 59 CG LEU A 4 -10.119 16.396 -6.377 1.00 0.00 C ATOM 60 CD1 LEU A 4 -11.157 17.444 -6.746 1.00 0.00 C ATOM 61 CD2 LEU A 4 -8.713 16.938 -6.588 1.00 0.00 C ATOM 0 H LEU A 4 -12.813 15.968 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.266 14.145 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.628 16.798 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.338 15.629 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.257 15.533 -7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.009 17.754 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.156 17.022 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.051 18.308 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.597 17.256 -7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.548 17.789 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.985 16.158 -6.364 1.00 0.00 H new ATOM 73 N MET A 5 -11.610 14.245 -2.378 1.00 0.00 N ATOM 74 CA MET A 5 -11.343 13.529 -1.132 1.00 0.00 C ATOM 75 C MET A 5 -11.283 12.020 -1.357 1.00 0.00 C ATOM 76 O MET A 5 -10.377 11.346 -0.870 1.00 0.00 O ATOM 77 CB MET A 5 -12.417 13.856 -0.094 1.00 0.00 C ATOM 78 CG MET A 5 -11.904 13.846 1.336 1.00 0.00 C ATOM 79 SD MET A 5 -13.114 13.197 2.504 1.00 0.00 S ATOM 80 CE MET A 5 -12.650 14.073 3.995 1.00 0.00 C ATOM 0 H MET A 5 -12.346 14.948 -2.310 1.00 0.00 H new ATOM 0 HA MET A 5 -10.371 13.856 -0.763 1.00 0.00 H new ATOM 0 HB2 MET A 5 -12.836 14.838 -0.314 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.230 13.135 -0.185 1.00 0.00 H new ATOM 0 HG2 MET A 5 -10.996 13.245 1.388 1.00 0.00 H new ATOM 0 HG3 MET A 5 -11.632 14.860 1.627 1.00 0.00 H new ATOM 0 HE1 MET A 5 -13.309 13.777 4.811 1.00 0.00 H new ATOM 0 HE2 MET A 5 -11.620 13.829 4.255 1.00 0.00 H new ATOM 0 HE3 MET A 5 -12.738 15.147 3.828 1.00 0.00 H new ATOM 90 N SER A 6 -12.254 11.498 -2.099 1.00 0.00 N ATOM 91 CA SER A 6 -12.308 10.069 -2.387 1.00 0.00 C ATOM 92 C SER A 6 -11.153 9.648 -3.292 1.00 0.00 C ATOM 93 O SER A 6 -10.804 8.470 -3.359 1.00 0.00 O ATOM 94 CB SER A 6 -13.642 9.712 -3.043 1.00 0.00 C ATOM 95 OG SER A 6 -13.813 8.308 -3.122 1.00 0.00 O ATOM 0 H SER A 6 -13.013 12.041 -2.511 1.00 0.00 H new ATOM 0 HA SER A 6 -12.218 9.531 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.460 10.149 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.686 10.143 -4.043 1.00 0.00 H new ATOM 0 HG SER A 6 -14.674 8.107 -3.544 1.00 0.00 H new ATOM 101 N LEU A 7 -10.563 10.617 -3.986 1.00 0.00 N ATOM 102 CA LEU A 7 -9.448 10.344 -4.886 1.00 0.00 C ATOM 103 C LEU A 7 -8.111 10.452 -4.155 1.00 0.00 C ATOM 104 O LEU A 7 -7.104 9.904 -4.602 1.00 0.00 O ATOM 105 CB LEU A 7 -9.473 11.313 -6.070 1.00 0.00 C ATOM 106 CG LEU A 7 -8.997 10.724 -7.399 1.00 0.00 C ATOM 107 CD1 LEU A 7 -10.034 9.762 -7.958 1.00 0.00 C ATOM 108 CD2 LEU A 7 -8.704 11.833 -8.398 1.00 0.00 C ATOM 0 H LEU A 7 -10.839 11.598 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.556 9.324 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.491 11.681 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.850 12.174 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.076 10.170 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.678 9.353 -8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.196 8.950 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.972 10.293 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.366 11.396 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.609 12.414 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.926 12.484 -8.001 1.00 0.00 H new ATOM 120 N VAL A 8 -8.107 11.163 -3.031 1.00 0.00 N ATOM 121 CA VAL A 8 -6.893 11.341 -2.243 1.00 0.00 C ATOM 122 C VAL A 8 -6.653 10.153 -1.309 1.00 0.00 C ATOM 123 O VAL A 8 -5.605 10.060 -0.673 1.00 0.00 O ATOM 124 CB VAL A 8 -6.957 12.636 -1.403 1.00 0.00 C ATOM 125 CG1 VAL A 8 -5.643 12.883 -0.670 1.00 0.00 C ATOM 126 CG2 VAL A 8 -7.318 13.827 -2.281 1.00 0.00 C ATOM 0 H VAL A 8 -8.931 11.625 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.067 11.410 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.738 12.512 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.718 13.801 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.435 12.046 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.834 12.979 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.358 14.730 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.564 13.948 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.291 13.657 -2.742 1.00 0.00 H new ATOM 136 N ILE A 9 -7.630 9.251 -1.227 1.00 0.00 N ATOM 137 CA ILE A 9 -7.520 8.077 -0.368 1.00 0.00 C ATOM 138 C ILE A 9 -7.717 6.787 -1.163 1.00 0.00 C ATOM 139 O ILE A 9 -7.087 5.771 -0.874 1.00 0.00 O ATOM 140 CB ILE A 9 -8.551 8.135 0.785 1.00 0.00 C ATOM 141 CG1 ILE A 9 -8.183 9.246 1.770 1.00 0.00 C ATOM 142 CG2 ILE A 9 -8.645 6.796 1.508 1.00 0.00 C ATOM 143 CD1 ILE A 9 -6.746 9.182 2.244 1.00 0.00 C ATOM 0 H ILE A 9 -8.506 9.312 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.514 8.079 0.053 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.528 8.354 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.359 10.212 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.845 9.189 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.377 6.868 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.954 6.023 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.671 6.539 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.556 9.999 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.570 8.230 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.076 9.270 1.388 1.00 0.00 H new ATOM 155 N ALA A 10 -8.596 6.830 -2.158 1.00 0.00 N ATOM 156 CA ALA A 10 -8.877 5.660 -2.986 1.00 0.00 C ATOM 157 C ALA A 10 -7.594 5.019 -3.518 1.00 0.00 C ATOM 158 O ALA A 10 -7.312 3.854 -3.237 1.00 0.00 O ATOM 159 CB ALA A 10 -9.794 6.040 -4.139 1.00 0.00 C ATOM 0 H ALA A 10 -9.127 7.663 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.377 4.923 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.996 5.159 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.732 6.431 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.312 6.802 -4.751 1.00 0.00 H new ATOM 165 N PRO A 11 -6.804 5.769 -4.307 1.00 0.00 N ATOM 166 CA PRO A 11 -5.554 5.260 -4.887 1.00 0.00 C ATOM 167 C PRO A 11 -4.507 4.905 -3.833 1.00 0.00 C ATOM 168 O PRO A 11 -3.991 3.788 -3.811 1.00 0.00 O ATOM 169 CB PRO A 11 -5.059 6.418 -5.761 1.00 0.00 C ATOM 170 CG PRO A 11 -5.738 7.629 -5.221 1.00 0.00 C ATOM 171 CD PRO A 11 -7.068 7.162 -4.705 1.00 0.00 C ATOM 0 HA PRO A 11 -5.722 4.333 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.975 6.517 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.313 6.258 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.149 8.084 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.864 8.384 -5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.407 7.764 -3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.841 7.222 -5.471 1.00 0.00 H new ATOM 179 N ILE A 12 -4.189 5.864 -2.969 1.00 0.00 N ATOM 180 CA ILE A 12 -3.192 5.654 -1.921 1.00 0.00 C ATOM 181 C ILE A 12 -3.476 4.396 -1.113 1.00 0.00 C ATOM 182 O ILE A 12 -2.560 3.753 -0.602 1.00 0.00 O ATOM 183 CB ILE A 12 -3.121 6.858 -0.963 1.00 0.00 C ATOM 184 CG1 ILE A 12 -4.508 7.190 -0.424 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.518 8.064 -1.667 1.00 0.00 C ATOM 186 CD1 ILE A 12 -4.860 6.462 0.858 1.00 0.00 C ATOM 0 H ILE A 12 -4.606 6.795 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.234 5.539 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.478 6.595 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.572 8.264 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.250 6.946 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.475 8.905 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.511 7.822 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.135 8.331 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.861 6.751 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.831 5.386 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.142 6.724 1.635 1.00 0.00 H new ATOM 198 N PHE A 13 -4.748 4.052 -1.001 1.00 0.00 N ATOM 199 CA PHE A 13 -5.152 2.870 -0.251 1.00 0.00 C ATOM 200 C PHE A 13 -4.554 1.611 -0.864 1.00 0.00 C ATOM 201 O PHE A 13 -3.634 1.013 -0.306 1.00 0.00 O ATOM 202 CB PHE A 13 -6.677 2.758 -0.207 1.00 0.00 C ATOM 203 CG PHE A 13 -7.223 2.600 1.182 1.00 0.00 C ATOM 204 CD1 PHE A 13 -7.349 3.696 2.023 1.00 0.00 C ATOM 205 CD2 PHE A 13 -7.609 1.354 1.647 1.00 0.00 C ATOM 206 CE1 PHE A 13 -7.851 3.549 3.302 1.00 0.00 C ATOM 207 CE2 PHE A 13 -8.112 1.201 2.925 1.00 0.00 C ATOM 208 CZ PHE A 13 -8.234 2.300 3.753 1.00 0.00 C ATOM 0 H PHE A 13 -5.519 4.572 -1.419 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.777 2.972 0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.113 3.648 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.989 1.906 -0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.052 4.674 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.516 0.492 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.944 4.409 3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.409 0.224 3.276 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.628 2.183 4.752 1.00 0.00 H new ATOM 218 N VAL A 14 -5.082 1.214 -2.016 1.00 0.00 N ATOM 219 CA VAL A 14 -4.602 0.024 -2.708 1.00 0.00 C ATOM 220 C VAL A 14 -3.089 0.071 -2.911 1.00 0.00 C ATOM 221 O VAL A 14 -2.441 -0.966 -3.043 1.00 0.00 O ATOM 222 CB VAL A 14 -5.286 -0.143 -4.078 1.00 0.00 C ATOM 223 CG1 VAL A 14 -4.928 -1.487 -4.694 1.00 0.00 C ATOM 224 CG2 VAL A 14 -6.794 0.005 -3.943 1.00 0.00 C ATOM 0 H VAL A 14 -5.843 1.699 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.853 -0.828 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.925 0.642 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.421 -1.587 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.848 -1.550 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.258 -2.289 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.260 -0.116 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.175 -0.757 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.029 0.994 -3.549 1.00 0.00 H new ATOM 234 N GLY A 15 -2.533 1.280 -2.937 1.00 0.00 N ATOM 235 CA GLY A 15 -1.102 1.432 -3.125 1.00 0.00 C ATOM 236 C GLY A 15 -0.313 1.125 -1.867 1.00 0.00 C ATOM 237 O GLY A 15 0.813 0.633 -1.939 1.00 0.00 O ATOM 0 H GLY A 15 -3.047 2.154 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.772 0.771 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.887 2.452 -3.444 1.00 0.00 H new ATOM 241 N LEU A 16 -0.903 1.416 -0.712 1.00 0.00 N ATOM 242 CA LEU A 16 -0.244 1.168 0.565 1.00 0.00 C ATOM 243 C LEU A 16 -0.469 -0.269 1.026 1.00 0.00 C ATOM 244 O LEU A 16 0.380 -0.853 1.700 1.00 0.00 O ATOM 245 CB LEU A 16 -0.755 2.142 1.627 1.00 0.00 C ATOM 246 CG LEU A 16 0.039 3.444 1.748 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.091 4.270 0.477 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.430 4.243 2.955 1.00 0.00 C ATOM 0 H LEU A 16 -1.835 1.823 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 16 0.826 1.322 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.793 2.387 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.747 1.638 2.594 1.00 0.00 H new ATOM 0 HG LEU A 16 1.091 3.194 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.481 5.192 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.293 3.699 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.140 4.511 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.145 5.166 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.488 4.482 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.284 3.654 3.860 1.00 0.00 H new ATOM 260 N VAL A 17 -1.612 -0.836 0.654 1.00 0.00 N ATOM 261 CA VAL A 17 -1.937 -2.209 1.028 1.00 0.00 C ATOM 262 C VAL A 17 -1.117 -3.186 0.208 1.00 0.00 C ATOM 263 O VAL A 17 -0.409 -4.035 0.750 1.00 0.00 O ATOM 264 CB VAL A 17 -3.426 -2.545 0.810 1.00 0.00 C ATOM 265 CG1 VAL A 17 -3.863 -3.651 1.758 1.00 0.00 C ATOM 266 CG2 VAL A 17 -4.305 -1.312 0.979 1.00 0.00 C ATOM 0 H VAL A 17 -2.327 -0.369 0.096 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.708 -2.298 2.090 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.545 -2.896 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.916 -3.877 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.267 -4.545 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.720 -3.325 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.348 -1.584 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.184 -0.915 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.012 -0.554 0.253 1.00 0.00 H new ATOM 276 N LEU A 18 -1.228 -3.059 -1.109 1.00 0.00 N ATOM 277 CA LEU A 18 -0.509 -3.928 -2.026 1.00 0.00 C ATOM 278 C LEU A 18 0.957 -4.056 -1.619 1.00 0.00 C ATOM 279 O LEU A 18 1.591 -5.085 -1.848 1.00 0.00 O ATOM 280 CB LEU A 18 -0.613 -3.389 -3.454 1.00 0.00 C ATOM 281 CG LEU A 18 -1.786 -3.936 -4.268 1.00 0.00 C ATOM 282 CD1 LEU A 18 -2.129 -2.991 -5.409 1.00 0.00 C ATOM 283 CD2 LEU A 18 -1.463 -5.324 -4.802 1.00 0.00 C ATOM 0 H LEU A 18 -1.812 -2.358 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.963 -4.918 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.695 -2.303 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.313 -3.618 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.654 -4.013 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.966 -3.396 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.403 -2.017 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.264 -2.882 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.309 -5.698 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.582 -5.272 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.266 -5.998 -3.968 1.00 0.00 H new ATOM 295 N GLU A 19 1.484 -2.999 -1.006 1.00 0.00 N ATOM 296 CA GLU A 19 2.870 -2.984 -0.557 1.00 0.00 C ATOM 297 C GLU A 19 3.016 -3.741 0.758 1.00 0.00 C ATOM 298 O GLU A 19 3.940 -4.536 0.931 1.00 0.00 O ATOM 299 CB GLU A 19 3.354 -1.543 -0.386 1.00 0.00 C ATOM 300 CG GLU A 19 3.880 -0.921 -1.669 1.00 0.00 C ATOM 301 CD GLU A 19 5.374 -1.113 -1.839 1.00 0.00 C ATOM 302 OE1 GLU A 19 6.145 -0.416 -1.146 1.00 0.00 O ATOM 303 OE2 GLU A 19 5.774 -1.960 -2.666 1.00 0.00 O ATOM 0 H GLU A 19 0.969 -2.141 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 19 3.481 -3.477 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.532 -0.935 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.141 -1.520 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.361 -1.361 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.652 0.145 -1.672 1.00 0.00 H new ATOM 310 N MET A 20 2.095 -3.486 1.684 1.00 0.00 N ATOM 311 CA MET A 20 2.107 -4.132 2.985 1.00 0.00 C ATOM 312 C MET A 20 2.233 -5.645 2.861 1.00 0.00 C ATOM 313 O MET A 20 2.734 -6.307 3.768 1.00 0.00 O ATOM 314 CB MET A 20 0.832 -3.782 3.746 1.00 0.00 C ATOM 315 CG MET A 20 0.955 -3.997 5.236 1.00 0.00 C ATOM 316 SD MET A 20 -0.630 -3.902 6.090 1.00 0.00 S ATOM 317 CE MET A 20 -0.476 -5.264 7.242 1.00 0.00 C ATOM 0 H MET A 20 1.326 -2.829 1.551 1.00 0.00 H new ATOM 0 HA MET A 20 2.977 -3.767 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.576 -2.740 3.555 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.010 -4.387 3.364 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.404 -4.973 5.422 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.632 -3.250 5.651 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.382 -5.335 7.844 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.333 -6.193 6.690 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.381 -5.094 7.894 1.00 0.00 H new ATOM 327 N ILE A 21 1.779 -6.190 1.737 1.00 0.00 N ATOM 328 CA ILE A 21 1.851 -7.622 1.510 1.00 0.00 C ATOM 329 C ILE A 21 2.947 -7.945 0.503 1.00 0.00 C ATOM 330 O ILE A 21 3.652 -8.945 0.642 1.00 0.00 O ATOM 331 CB ILE A 21 0.491 -8.189 1.037 1.00 0.00 C ATOM 332 CG1 ILE A 21 0.650 -9.622 0.512 1.00 0.00 C ATOM 333 CG2 ILE A 21 -0.138 -7.285 -0.015 1.00 0.00 C ATOM 334 CD1 ILE A 21 1.310 -9.701 -0.848 1.00 0.00 C ATOM 0 H ILE A 21 1.359 -5.660 0.973 1.00 0.00 H new ATOM 0 HA ILE A 21 2.095 -8.100 2.459 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.181 -8.220 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.239 -10.198 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.333 -10.091 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.093 -7.705 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.300 -6.293 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.528 -7.209 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.389 -10.744 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.711 -9.153 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.306 -9.262 -0.795 1.00 0.00 H new ATOM 346 N SER A 22 3.094 -7.095 -0.506 1.00 0.00 N ATOM 347 CA SER A 22 4.115 -7.301 -1.523 1.00 0.00 C ATOM 348 C SER A 22 5.491 -7.405 -0.878 1.00 0.00 C ATOM 349 O SER A 22 6.395 -8.047 -1.413 1.00 0.00 O ATOM 350 CB SER A 22 4.094 -6.162 -2.544 1.00 0.00 C ATOM 351 OG SER A 22 5.194 -6.253 -3.433 1.00 0.00 O ATOM 0 H SER A 22 2.522 -6.261 -0.641 1.00 0.00 H new ATOM 0 HA SER A 22 3.900 -8.235 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.162 -6.193 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.120 -5.204 -2.025 1.00 0.00 H new ATOM 0 HG SER A 22 5.157 -5.515 -4.076 1.00 0.00 H new ATOM 357 N ARG A 23 5.634 -6.780 0.286 1.00 0.00 N ATOM 358 CA ARG A 23 6.888 -6.811 1.021 1.00 0.00 C ATOM 359 C ARG A 23 6.967 -8.076 1.871 1.00 0.00 C ATOM 360 O ARG A 23 8.050 -8.614 2.102 1.00 0.00 O ATOM 361 CB ARG A 23 7.015 -5.562 1.899 1.00 0.00 C ATOM 362 CG ARG A 23 8.208 -5.591 2.839 1.00 0.00 C ATOM 363 CD ARG A 23 7.880 -6.340 4.119 1.00 0.00 C ATOM 364 NE ARG A 23 8.642 -5.838 5.259 1.00 0.00 N ATOM 365 CZ ARG A 23 8.309 -6.058 6.529 1.00 0.00 C ATOM 366 NH1 ARG A 23 7.229 -6.771 6.824 1.00 0.00 N ATOM 367 NH2 ARG A 23 9.057 -5.564 7.506 1.00 0.00 N ATOM 0 H ARG A 23 4.893 -6.245 0.740 1.00 0.00 H new ATOM 0 HA ARG A 23 7.715 -6.820 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.092 -4.684 1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.104 -5.448 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.054 -6.067 2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.511 -4.572 3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.814 -6.250 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.090 -7.401 3.982 1.00 0.00 H new ATOM 0 HE ARG A 23 9.479 -5.286 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.650 -7.153 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.978 -6.937 7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.888 -5.015 7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.802 -5.733 8.479 1.00 0.00 H new ATOM 381 N VAL A 24 5.807 -8.559 2.317 1.00 0.00 N ATOM 382 CA VAL A 24 5.744 -9.774 3.122 1.00 0.00 C ATOM 383 C VAL A 24 6.332 -10.939 2.350 1.00 0.00 C ATOM 384 O VAL A 24 6.968 -11.825 2.921 1.00 0.00 O ATOM 385 CB VAL A 24 4.300 -10.114 3.529 1.00 0.00 C ATOM 386 CG1 VAL A 24 4.269 -11.330 4.441 1.00 0.00 C ATOM 387 CG2 VAL A 24 3.643 -8.920 4.198 1.00 0.00 C ATOM 0 H VAL A 24 4.901 -8.127 2.134 1.00 0.00 H new ATOM 0 HA VAL A 24 6.322 -9.596 4.029 1.00 0.00 H new ATOM 0 HB VAL A 24 3.736 -10.355 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.238 -11.552 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.698 -12.186 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.849 -11.125 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.622 -9.177 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.207 -8.646 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.627 -8.078 3.506 1.00 0.00 H new ATOM 397 N LEU A 25 6.124 -10.918 1.042 1.00 0.00 N ATOM 398 CA LEU A 25 6.644 -11.960 0.173 1.00 0.00 C ATOM 399 C LEU A 25 8.161 -12.046 0.260 1.00 0.00 C ATOM 400 O LEU A 25 8.764 -13.005 -0.221 1.00 0.00 O ATOM 401 CB LEU A 25 6.216 -11.706 -1.273 1.00 0.00 C ATOM 402 CG LEU A 25 4.770 -12.087 -1.597 1.00 0.00 C ATOM 403 CD1 LEU A 25 4.166 -11.101 -2.585 1.00 0.00 C ATOM 404 CD2 LEU A 25 4.703 -13.504 -2.146 1.00 0.00 C ATOM 0 H LEU A 25 5.598 -10.189 0.560 1.00 0.00 H new ATOM 0 HA LEU A 25 6.231 -12.912 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.356 -10.648 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.879 -12.262 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 25 4.189 -12.048 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.137 -11.388 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.179 -10.100 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.748 -11.107 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.667 -13.758 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.299 -13.570 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.095 -14.200 -1.405 1.00 0.00 H new ATOM 416 N ASP A 26 8.779 -11.037 0.861 1.00 0.00 N ATOM 417 CA ASP A 26 10.222 -11.011 0.988 1.00 0.00 C ATOM 418 C ASP A 26 10.657 -10.196 2.201 1.00 0.00 C ATOM 419 O ASP A 26 11.742 -9.613 2.213 1.00 0.00 O ATOM 420 CB ASP A 26 10.809 -10.432 -0.288 1.00 0.00 C ATOM 421 CG ASP A 26 12.243 -10.866 -0.522 1.00 0.00 C ATOM 422 OD1 ASP A 26 12.492 -12.089 -0.580 1.00 0.00 O ATOM 423 OD2 ASP A 26 13.118 -9.983 -0.647 1.00 0.00 O ATOM 0 H ASP A 26 8.302 -10.231 1.265 1.00 0.00 H new ATOM 0 HA ASP A 26 10.589 -12.026 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.198 -10.739 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.766 -9.344 -0.242 1.00 0.00 H new ATOM 428 N GLU A 27 9.805 -10.159 3.221 1.00 0.00 N ATOM 429 CA GLU A 27 10.103 -9.417 4.440 1.00 0.00 C ATOM 430 C GLU A 27 11.368 -9.950 5.106 1.00 0.00 C ATOM 431 O GLU A 27 12.054 -10.811 4.557 1.00 0.00 O ATOM 432 CB GLU A 27 8.926 -9.501 5.413 1.00 0.00 C ATOM 433 CG GLU A 27 8.642 -10.912 5.897 1.00 0.00 C ATOM 434 CD GLU A 27 7.979 -10.939 7.261 1.00 0.00 C ATOM 435 OE1 GLU A 27 6.756 -10.700 7.331 1.00 0.00 O ATOM 436 OE2 GLU A 27 8.685 -11.199 8.258 1.00 0.00 O ATOM 0 H GLU A 27 8.903 -10.635 3.227 1.00 0.00 H new ATOM 0 HA GLU A 27 10.268 -8.374 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.130 -8.864 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.034 -9.105 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.000 -11.417 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.576 -11.472 5.940 1.00 0.00 H new ATOM 443 N GLU A 28 11.669 -9.432 6.292 1.00 0.00 N ATOM 444 CA GLU A 28 12.851 -9.858 7.033 1.00 0.00 C ATOM 445 C GLU A 28 12.563 -11.124 7.835 1.00 0.00 C ATOM 446 O GLU A 28 12.605 -11.116 9.066 1.00 0.00 O ATOM 447 CB GLU A 28 13.323 -8.741 7.966 1.00 0.00 C ATOM 448 CG GLU A 28 14.344 -7.810 7.332 1.00 0.00 C ATOM 449 CD GLU A 28 13.741 -6.485 6.907 1.00 0.00 C ATOM 450 OE1 GLU A 28 13.381 -5.685 7.796 1.00 0.00 O ATOM 451 OE2 GLU A 28 13.628 -6.249 5.686 1.00 0.00 O ATOM 0 H GLU A 28 11.112 -8.718 6.760 1.00 0.00 H new ATOM 0 HA GLU A 28 13.641 -10.078 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.460 -8.157 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.756 -9.186 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.152 -7.627 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.786 -8.299 6.464 1.00 0.00 H new ATOM 458 N ASP A 29 12.270 -12.210 7.129 1.00 0.00 N ATOM 459 CA ASP A 29 11.974 -13.484 7.773 1.00 0.00 C ATOM 460 C ASP A 29 13.241 -14.317 7.940 1.00 0.00 C ATOM 461 O ASP A 29 13.283 -15.488 7.561 1.00 0.00 O ATOM 462 CB ASP A 29 10.938 -14.263 6.959 1.00 0.00 C ATOM 463 CG ASP A 29 10.382 -15.452 7.716 1.00 0.00 C ATOM 464 OD1 ASP A 29 11.017 -16.527 7.683 1.00 0.00 O ATOM 465 OD2 ASP A 29 9.311 -15.309 8.343 1.00 0.00 O ATOM 0 H ASP A 29 12.231 -12.234 6.110 1.00 0.00 H new ATOM 0 HA ASP A 29 11.566 -13.277 8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.120 -13.597 6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.394 -14.608 6.031 1.00 0.00 H new ATOM 470 N ASP A 30 14.274 -13.705 8.511 1.00 0.00 N ATOM 471 CA ASP A 30 15.543 -14.390 8.729 1.00 0.00 C ATOM 472 C ASP A 30 16.148 -14.848 7.407 1.00 0.00 C ATOM 473 O ASP A 30 15.668 -15.798 6.788 1.00 0.00 O ATOM 474 CB ASP A 30 15.346 -15.591 9.656 1.00 0.00 C ATOM 475 CG ASP A 30 16.657 -16.118 10.205 1.00 0.00 C ATOM 476 OD1 ASP A 30 17.704 -15.893 9.562 1.00 0.00 O ATOM 477 OD2 ASP A 30 16.637 -16.757 11.278 1.00 0.00 O ATOM 0 H ASP A 30 14.257 -12.737 8.831 1.00 0.00 H new ATOM 0 HA ASP A 30 16.231 -13.686 9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.697 -15.305 10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.837 -16.387 9.112 1.00 0.00 H new ATOM 482 N SER A 31 17.205 -14.166 6.978 1.00 0.00 N ATOM 483 CA SER A 31 17.877 -14.504 5.728 1.00 0.00 C ATOM 484 C SER A 31 19.372 -14.214 5.819 1.00 0.00 C ATOM 485 O SER A 31 19.782 -13.171 6.327 1.00 0.00 O ATOM 486 CB SER A 31 17.263 -13.719 4.567 1.00 0.00 C ATOM 487 OG SER A 31 17.158 -12.341 4.881 1.00 0.00 O ATOM 0 H SER A 31 17.615 -13.376 7.477 1.00 0.00 H new ATOM 0 HA SER A 31 17.742 -15.571 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.875 -13.846 3.674 1.00 0.00 H new ATOM 0 HB3 SER A 31 16.276 -14.119 4.336 1.00 0.00 H new ATOM 0 HG SER A 31 16.764 -11.862 4.122 1.00 0.00 H new ATOM 493 N ARG A 32 20.181 -15.144 5.322 1.00 0.00 N ATOM 494 CA ARG A 32 21.630 -14.988 5.347 1.00 0.00 C ATOM 495 C ARG A 32 22.069 -13.839 4.446 1.00 0.00 C ATOM 496 O ARG A 32 23.013 -13.114 4.762 1.00 0.00 O ATOM 497 CB ARG A 32 22.311 -16.285 4.907 1.00 0.00 C ATOM 498 CG ARG A 32 22.488 -17.291 6.034 1.00 0.00 C ATOM 499 CD ARG A 32 22.493 -18.720 5.512 1.00 0.00 C ATOM 500 NE ARG A 32 23.818 -19.330 5.600 1.00 0.00 N ATOM 501 CZ ARG A 32 24.794 -19.113 4.721 1.00 0.00 C ATOM 502 NH1 ARG A 32 24.599 -18.303 3.688 1.00 0.00 N ATOM 503 NH2 ARG A 32 25.969 -19.708 4.876 1.00 0.00 N ATOM 0 H ARG A 32 19.857 -16.013 4.897 1.00 0.00 H new ATOM 0 HA ARG A 32 21.928 -14.758 6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.723 -16.743 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 32 23.288 -16.048 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 32 23.423 -17.091 6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.684 -17.171 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 32 21.781 -19.317 6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.158 -18.728 4.475 1.00 0.00 H new ATOM 0 HE ARG A 32 24.006 -19.959 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 32 23.697 -17.843 3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.351 -18.141 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 32 26.124 -20.331 5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 32 26.717 -19.542 4.203 1.00 0.00 H new ATOM 517 N LYS A 33 21.379 -13.679 3.322 1.00 0.00 N ATOM 518 CA LYS A 33 21.697 -12.617 2.374 1.00 0.00 C ATOM 519 C LYS A 33 20.696 -12.600 1.222 1.00 0.00 C ATOM 520 O LYS A 33 20.985 -11.944 0.199 1.00 0.00 O ATOM 521 CB LYS A 33 23.117 -12.798 1.831 1.00 0.00 C ATOM 522 CG LYS A 33 24.155 -11.954 2.555 1.00 0.00 C ATOM 523 CD LYS A 33 25.261 -12.813 3.147 1.00 0.00 C ATOM 524 CE LYS A 33 26.018 -12.072 4.237 1.00 0.00 C ATOM 525 NZ LYS A 33 25.191 -11.886 5.461 1.00 0.00 N ATOM 526 OXT LYS A 33 19.633 -13.242 1.353 1.00 0.00 O ATOM 0 H LYS A 33 20.596 -14.271 3.045 1.00 0.00 H new ATOM 0 HA LYS A 33 21.636 -11.664 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.396 -13.849 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.128 -12.543 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.586 -11.232 1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.672 -11.384 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 33 24.833 -13.728 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.953 -13.110 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.922 -12.625 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.334 -11.099 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.831 -10.911 5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.391 -12.550 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.773 -12.068 6.304 1.00 0.00 H new TER 540 LYS A 33