USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 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 152:sc= -1.24 (180deg=-3.21!) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.128 (180deg=-0.657) 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 162:sc= -0.0415 (180deg=-0.381) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -1.01 (180deg=-1.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.940 17.718 -0.827 1.00 0.00 N ATOM 2 CA MET A 1 -17.334 17.232 0.440 1.00 0.00 C ATOM 3 C MET A 1 -16.144 16.318 0.167 1.00 0.00 C ATOM 4 O MET A 1 -15.093 16.446 0.795 1.00 0.00 O ATOM 5 CB MET A 1 -18.403 16.483 1.237 1.00 0.00 C ATOM 6 CG MET A 1 -19.548 17.368 1.701 1.00 0.00 C ATOM 7 SD MET A 1 -19.260 18.076 3.334 1.00 0.00 S ATOM 8 CE MET A 1 -18.003 19.295 2.958 1.00 0.00 C ATOM 0 H1 MET A 1 -18.373 18.650 -0.669 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.203 17.798 -1.556 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.669 17.047 -1.143 1.00 0.00 H new ATOM 0 HA MET A 1 -16.968 18.085 1.011 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.804 15.677 0.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.938 16.020 2.107 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.695 18.173 0.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.469 16.785 1.719 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.066 20.115 3.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.018 18.833 3.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.159 19.680 1.950 1.00 0.00 H new ATOM 20 N LYS A 2 -16.316 15.397 -0.776 1.00 0.00 N ATOM 21 CA LYS A 2 -15.254 14.462 -1.134 1.00 0.00 C ATOM 22 C LYS A 2 -14.725 14.725 -2.531 1.00 0.00 C ATOM 23 O LYS A 2 -14.033 13.879 -3.095 1.00 0.00 O ATOM 24 CB LYS A 2 -15.739 13.020 -1.055 1.00 0.00 C ATOM 25 CG LYS A 2 -17.146 12.814 -1.598 1.00 0.00 C ATOM 26 CD LYS A 2 -17.200 12.992 -3.107 1.00 0.00 C ATOM 27 CE LYS A 2 -16.225 12.065 -3.813 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.200 12.299 -5.284 1.00 0.00 N ATOM 0 H LYS A 2 -17.179 15.278 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.450 14.615 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.049 12.384 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.709 12.693 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.494 11.814 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.826 13.522 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.212 12.796 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.969 14.026 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.225 12.212 -3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.501 11.029 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.523 11.647 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.148 12.134 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.912 13.280 -5.475 1.00 0.00 H new ATOM 42 N ASP A 3 -15.053 15.891 -3.091 1.00 0.00 N ATOM 43 CA ASP A 3 -14.605 16.251 -4.436 1.00 0.00 C ATOM 44 C ASP A 3 -13.341 15.485 -4.801 1.00 0.00 C ATOM 45 O ASP A 3 -13.270 14.835 -5.844 1.00 0.00 O ATOM 46 CB ASP A 3 -14.352 17.757 -4.528 1.00 0.00 C ATOM 47 CG ASP A 3 -13.964 18.193 -5.928 1.00 0.00 C ATOM 48 OD1 ASP A 3 -14.621 17.747 -6.892 1.00 0.00 O ATOM 49 OD2 ASP A 3 -13.004 18.981 -6.059 1.00 0.00 O ATOM 0 H ASP A 3 -15.626 16.600 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.391 15.983 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.249 18.293 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.560 18.033 -3.832 1.00 0.00 H new ATOM 54 N LEU A 4 -12.355 15.546 -3.912 1.00 0.00 N ATOM 55 CA LEU A 4 -11.101 14.837 -4.116 1.00 0.00 C ATOM 56 C LEU A 4 -10.862 13.791 -3.029 1.00 0.00 C ATOM 57 O LEU A 4 -10.089 12.853 -3.223 1.00 0.00 O ATOM 58 CB LEU A 4 -9.929 15.818 -4.174 1.00 0.00 C ATOM 59 CG LEU A 4 -9.656 16.419 -5.554 1.00 0.00 C ATOM 60 CD1 LEU A 4 -10.715 17.453 -5.904 1.00 0.00 C ATOM 61 CD2 LEU A 4 -8.267 17.039 -5.599 1.00 0.00 C ATOM 0 H LEU A 4 -12.402 16.080 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.172 14.316 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.119 16.630 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.029 15.306 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.700 15.620 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.505 17.870 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.697 16.980 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.703 18.251 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.089 17.462 -6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.196 17.827 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.520 16.273 -5.392 1.00 0.00 H new ATOM 73 N MET A 5 -11.523 13.952 -1.885 1.00 0.00 N ATOM 74 CA MET A 5 -11.368 13.016 -0.776 1.00 0.00 C ATOM 75 C MET A 5 -11.540 11.573 -1.243 1.00 0.00 C ATOM 76 O MET A 5 -10.714 10.712 -0.942 1.00 0.00 O ATOM 77 CB MET A 5 -12.376 13.332 0.329 1.00 0.00 C ATOM 78 CG MET A 5 -11.865 13.019 1.725 1.00 0.00 C ATOM 79 SD MET A 5 -12.456 11.431 2.341 1.00 0.00 S ATOM 80 CE MET A 5 -11.353 11.174 3.728 1.00 0.00 C ATOM 0 H MET A 5 -12.169 14.720 -1.703 1.00 0.00 H new ATOM 0 HA MET A 5 -10.358 13.128 -0.382 1.00 0.00 H new ATOM 0 HB2 MET A 5 -12.641 14.388 0.276 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.289 12.765 0.150 1.00 0.00 H new ATOM 0 HG2 MET A 5 -10.775 13.018 1.717 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.178 13.809 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 5 -11.594 10.229 4.214 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.323 11.148 3.373 1.00 0.00 H new ATOM 0 HE3 MET A 5 -11.470 11.989 4.442 1.00 0.00 H new ATOM 90 N SER A 6 -12.611 11.318 -1.984 1.00 0.00 N ATOM 91 CA SER A 6 -12.879 9.980 -2.496 1.00 0.00 C ATOM 92 C SER A 6 -11.872 9.604 -3.580 1.00 0.00 C ATOM 93 O SER A 6 -11.691 8.428 -3.892 1.00 0.00 O ATOM 94 CB SER A 6 -14.302 9.895 -3.051 1.00 0.00 C ATOM 95 OG SER A 6 -14.696 8.547 -3.243 1.00 0.00 O ATOM 0 H SER A 6 -13.306 12.018 -2.243 1.00 0.00 H new ATOM 0 HA SER A 6 -12.780 9.275 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.993 10.385 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.359 10.432 -3.998 1.00 0.00 H new ATOM 0 HG SER A 6 -15.610 8.520 -3.597 1.00 0.00 H new ATOM 101 N LEU A 7 -11.212 10.613 -4.144 1.00 0.00 N ATOM 102 CA LEU A 7 -10.216 10.390 -5.185 1.00 0.00 C ATOM 103 C LEU A 7 -8.823 10.241 -4.580 1.00 0.00 C ATOM 104 O LEU A 7 -7.874 9.877 -5.272 1.00 0.00 O ATOM 105 CB LEU A 7 -10.228 11.545 -6.188 1.00 0.00 C ATOM 106 CG LEU A 7 -9.376 11.321 -7.441 1.00 0.00 C ATOM 107 CD1 LEU A 7 -10.210 11.514 -8.699 1.00 0.00 C ATOM 108 CD2 LEU A 7 -8.177 12.258 -7.447 1.00 0.00 C ATOM 0 H LEU A 7 -11.350 11.593 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.469 9.465 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.257 11.730 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.879 12.447 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.010 10.294 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.586 11.350 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.035 10.801 -8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.607 12.529 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.584 12.084 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.523 13.292 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.564 12.070 -6.565 1.00 0.00 H new ATOM 120 N VAL A 8 -8.707 10.522 -3.284 1.00 0.00 N ATOM 121 CA VAL A 8 -7.432 10.414 -2.590 1.00 0.00 C ATOM 122 C VAL A 8 -7.378 9.144 -1.748 1.00 0.00 C ATOM 123 O VAL A 8 -6.551 8.264 -1.986 1.00 0.00 O ATOM 124 CB VAL A 8 -7.184 11.632 -1.677 1.00 0.00 C ATOM 125 CG1 VAL A 8 -5.763 11.614 -1.130 1.00 0.00 C ATOM 126 CG2 VAL A 8 -7.462 12.931 -2.423 1.00 0.00 C ATOM 0 H VAL A 8 -9.483 10.826 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.655 10.379 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.872 11.572 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.609 12.482 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.607 10.703 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.054 11.644 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.281 13.777 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.804 13.001 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.500 12.945 -2.754 1.00 0.00 H new ATOM 136 N ILE A 9 -8.268 9.057 -0.763 1.00 0.00 N ATOM 137 CA ILE A 9 -8.331 7.901 0.123 1.00 0.00 C ATOM 138 C ILE A 9 -8.451 6.592 -0.658 1.00 0.00 C ATOM 139 O ILE A 9 -8.080 5.528 -0.164 1.00 0.00 O ATOM 140 CB ILE A 9 -9.517 8.020 1.105 1.00 0.00 C ATOM 141 CG1 ILE A 9 -9.336 7.049 2.270 1.00 0.00 C ATOM 142 CG2 ILE A 9 -10.841 7.770 0.395 1.00 0.00 C ATOM 143 CD1 ILE A 9 -8.077 7.305 3.068 1.00 0.00 C ATOM 0 H ILE A 9 -8.959 9.779 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.397 7.885 0.684 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.537 9.036 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.199 7.121 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.314 6.030 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.659 7.860 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.971 8.504 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.841 6.767 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.008 6.582 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.208 7.205 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.107 8.313 3.481 1.00 0.00 H new ATOM 155 N ALA A 10 -8.982 6.677 -1.874 1.00 0.00 N ATOM 156 CA ALA A 10 -9.161 5.498 -2.715 1.00 0.00 C ATOM 157 C ALA A 10 -7.827 4.963 -3.236 1.00 0.00 C ATOM 158 O ALA A 10 -7.442 3.834 -2.927 1.00 0.00 O ATOM 159 CB ALA A 10 -10.092 5.816 -3.875 1.00 0.00 C ATOM 0 H ALA A 10 -9.296 7.550 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.609 4.718 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.217 4.928 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.062 6.128 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.665 6.620 -4.475 1.00 0.00 H new ATOM 165 N PRO A 11 -7.105 5.759 -4.045 1.00 0.00 N ATOM 166 CA PRO A 11 -5.816 5.348 -4.616 1.00 0.00 C ATOM 167 C PRO A 11 -4.777 4.995 -3.555 1.00 0.00 C ATOM 168 O PRO A 11 -3.974 4.082 -3.745 1.00 0.00 O ATOM 169 CB PRO A 11 -5.364 6.573 -5.422 1.00 0.00 C ATOM 170 CG PRO A 11 -6.172 7.707 -4.896 1.00 0.00 C ATOM 171 CD PRO A 11 -7.485 7.113 -4.478 1.00 0.00 C ATOM 0 HA PRO A 11 -5.920 4.442 -5.213 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.297 6.757 -5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.536 6.428 -6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.673 8.185 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.314 8.473 -5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.948 7.681 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.199 7.089 -5.301 1.00 0.00 H new ATOM 179 N ILE A 12 -4.791 5.720 -2.440 1.00 0.00 N ATOM 180 CA ILE A 12 -3.839 5.469 -1.364 1.00 0.00 C ATOM 181 C ILE A 12 -4.124 4.139 -0.680 1.00 0.00 C ATOM 182 O ILE A 12 -3.219 3.496 -0.147 1.00 0.00 O ATOM 183 CB ILE A 12 -3.851 6.608 -0.321 1.00 0.00 C ATOM 184 CG1 ILE A 12 -2.792 6.364 0.765 1.00 0.00 C ATOM 185 CG2 ILE A 12 -5.239 6.770 0.286 1.00 0.00 C ATOM 186 CD1 ILE A 12 -3.209 5.370 1.837 1.00 0.00 C ATOM 0 H ILE A 12 -5.446 6.481 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.848 5.427 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.599 7.539 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.878 6.006 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.552 7.315 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.224 7.578 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.955 7.007 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.532 5.842 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.403 5.258 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.104 5.734 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.419 4.405 1.376 1.00 0.00 H new ATOM 198 N PHE A 13 -5.382 3.727 -0.707 1.00 0.00 N ATOM 199 CA PHE A 13 -5.784 2.467 -0.096 1.00 0.00 C ATOM 200 C PHE A 13 -5.164 1.292 -0.842 1.00 0.00 C ATOM 201 O PHE A 13 -4.272 0.618 -0.327 1.00 0.00 O ATOM 202 CB PHE A 13 -7.309 2.340 -0.089 1.00 0.00 C ATOM 203 CG PHE A 13 -7.858 1.775 1.191 1.00 0.00 C ATOM 204 CD1 PHE A 13 -7.741 2.478 2.379 1.00 0.00 C ATOM 205 CD2 PHE A 13 -8.490 0.542 1.204 1.00 0.00 C ATOM 206 CE1 PHE A 13 -8.245 1.961 3.558 1.00 0.00 C ATOM 207 CE2 PHE A 13 -8.995 0.020 2.379 1.00 0.00 C ATOM 208 CZ PHE A 13 -8.873 0.730 3.558 1.00 0.00 C ATOM 0 H PHE A 13 -6.143 4.246 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.427 2.455 0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.748 3.323 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.616 1.704 -0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.251 3.440 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -8.589 -0.017 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.148 2.518 4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -9.485 -0.942 2.376 1.00 0.00 H new ATOM 0 HZ PHE A 13 -9.268 0.324 4.478 1.00 0.00 H new ATOM 218 N VAL A 14 -5.638 1.056 -2.061 1.00 0.00 N ATOM 219 CA VAL A 14 -5.129 -0.035 -2.883 1.00 0.00 C ATOM 220 C VAL A 14 -3.611 0.048 -3.040 1.00 0.00 C ATOM 221 O VAL A 14 -2.953 -0.957 -3.303 1.00 0.00 O ATOM 222 CB VAL A 14 -5.783 -0.037 -4.280 1.00 0.00 C ATOM 223 CG1 VAL A 14 -5.464 1.250 -5.024 1.00 0.00 C ATOM 224 CG2 VAL A 14 -5.334 -1.251 -5.080 1.00 0.00 C ATOM 0 H VAL A 14 -6.375 1.607 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.384 -0.962 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.864 -0.095 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.935 1.228 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.844 2.101 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.384 1.345 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.806 -1.234 -6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.251 -1.229 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.623 -2.161 -4.554 1.00 0.00 H new ATOM 234 N GLY A 15 -3.063 1.249 -2.877 1.00 0.00 N ATOM 235 CA GLY A 15 -1.630 1.432 -3.007 1.00 0.00 C ATOM 236 C GLY A 15 -0.876 1.045 -1.749 1.00 0.00 C ATOM 237 O GLY A 15 0.259 0.573 -1.819 1.00 0.00 O ATOM 0 H GLY A 15 -3.586 2.097 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.266 0.835 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.421 2.475 -3.245 1.00 0.00 H new ATOM 241 N LEU A 16 -1.505 1.247 -0.595 1.00 0.00 N ATOM 242 CA LEU A 16 -0.882 0.917 0.681 1.00 0.00 C ATOM 243 C LEU A 16 -1.028 -0.569 0.994 1.00 0.00 C ATOM 244 O LEU A 16 -0.179 -1.157 1.665 1.00 0.00 O ATOM 245 CB LEU A 16 -1.496 1.753 1.807 1.00 0.00 C ATOM 246 CG LEU A 16 -0.634 2.922 2.287 1.00 0.00 C ATOM 247 CD1 LEU A 16 0.603 2.412 3.010 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.241 3.810 1.115 1.00 0.00 C ATOM 0 H LEU A 16 -2.444 1.637 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 16 0.180 1.149 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.455 2.144 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.700 1.099 2.655 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.219 3.517 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.204 3.258 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.301 1.818 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.192 1.794 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.372 4.637 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.326 3.226 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.139 4.204 0.640 1.00 0.00 H new ATOM 260 N VAL A 17 -2.103 -1.176 0.500 1.00 0.00 N ATOM 261 CA VAL A 17 -2.344 -2.597 0.727 1.00 0.00 C ATOM 262 C VAL A 17 -1.467 -3.431 -0.186 1.00 0.00 C ATOM 263 O VAL A 17 -0.649 -4.229 0.270 1.00 0.00 O ATOM 264 CB VAL A 17 -3.812 -2.998 0.470 1.00 0.00 C ATOM 265 CG1 VAL A 17 -4.190 -4.198 1.324 1.00 0.00 C ATOM 266 CG2 VAL A 17 -4.763 -1.834 0.726 1.00 0.00 C ATOM 0 H VAL A 17 -2.818 -0.709 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.109 -2.783 1.775 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.905 -3.272 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.228 -4.469 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.543 -5.040 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.070 -3.947 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.788 -2.153 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.671 -1.510 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.511 -1.006 0.063 1.00 0.00 H new ATOM 276 N LEU A 18 -1.650 -3.236 -1.487 1.00 0.00 N ATOM 277 CA LEU A 18 -0.885 -3.964 -2.484 1.00 0.00 C ATOM 278 C LEU A 18 0.606 -3.913 -2.164 1.00 0.00 C ATOM 279 O LEU A 18 1.349 -4.852 -2.451 1.00 0.00 O ATOM 280 CB LEU A 18 -1.142 -3.382 -3.875 1.00 0.00 C ATOM 281 CG LEU A 18 -2.327 -3.993 -4.624 1.00 0.00 C ATOM 282 CD1 LEU A 18 -2.857 -3.021 -5.667 1.00 0.00 C ATOM 283 CD2 LEU A 18 -1.925 -5.308 -5.274 1.00 0.00 C ATOM 0 H LEU A 18 -2.325 -2.576 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.206 -5.005 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.307 -2.309 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.244 -3.513 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.122 -4.193 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.700 -3.473 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.183 -2.104 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.068 -2.789 -6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.780 -5.729 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.113 -5.132 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.593 -6.007 -4.506 1.00 0.00 H new ATOM 295 N GLU A 19 1.030 -2.807 -1.560 1.00 0.00 N ATOM 296 CA GLU A 19 2.427 -2.623 -1.188 1.00 0.00 C ATOM 297 C GLU A 19 2.784 -3.500 0.006 1.00 0.00 C ATOM 298 O GLU A 19 3.856 -4.102 0.051 1.00 0.00 O ATOM 299 CB GLU A 19 2.697 -1.154 -0.856 1.00 0.00 C ATOM 300 CG GLU A 19 3.052 -0.312 -2.071 1.00 0.00 C ATOM 301 CD GLU A 19 4.269 -0.835 -2.807 1.00 0.00 C ATOM 302 OE1 GLU A 19 4.113 -1.761 -3.630 1.00 0.00 O ATOM 303 OE2 GLU A 19 5.379 -0.318 -2.562 1.00 0.00 O ATOM 0 H GLU A 19 0.424 -2.023 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 19 3.049 -2.916 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.815 -0.730 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.512 -1.097 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.202 -0.288 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.236 0.715 -1.756 1.00 0.00 H new ATOM 310 N MET A 20 1.873 -3.568 0.974 1.00 0.00 N ATOM 311 CA MET A 20 2.080 -4.368 2.173 1.00 0.00 C ATOM 312 C MET A 20 2.518 -5.786 1.824 1.00 0.00 C ATOM 313 O MET A 20 3.537 -6.269 2.317 1.00 0.00 O ATOM 314 CB MET A 20 0.795 -4.412 2.997 1.00 0.00 C ATOM 315 CG MET A 20 1.039 -4.622 4.477 1.00 0.00 C ATOM 316 SD MET A 20 -0.479 -4.950 5.394 1.00 0.00 S ATOM 317 CE MET A 20 -0.874 -6.599 4.817 1.00 0.00 C ATOM 0 H MET A 20 0.980 -3.075 0.948 1.00 0.00 H new ATOM 0 HA MET A 20 2.873 -3.901 2.757 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.248 -3.480 2.855 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.159 -5.215 2.623 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.728 -5.456 4.613 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.524 -3.738 4.890 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.580 -7.065 5.504 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.319 -6.540 3.824 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.037 -7.196 4.772 1.00 0.00 H new ATOM 327 N ILE A 21 1.750 -6.446 0.963 1.00 0.00 N ATOM 328 CA ILE A 21 2.072 -7.799 0.546 1.00 0.00 C ATOM 329 C ILE A 21 3.238 -7.777 -0.428 1.00 0.00 C ATOM 330 O ILE A 21 4.100 -8.656 -0.399 1.00 0.00 O ATOM 331 CB ILE A 21 0.842 -8.512 -0.074 1.00 0.00 C ATOM 332 CG1 ILE A 21 1.270 -9.761 -0.852 1.00 0.00 C ATOM 333 CG2 ILE A 21 0.050 -7.562 -0.965 1.00 0.00 C ATOM 334 CD1 ILE A 21 1.945 -9.442 -2.166 1.00 0.00 C ATOM 0 H ILE A 21 0.903 -6.064 0.543 1.00 0.00 H new ATOM 0 HA ILE A 21 2.362 -8.369 1.429 1.00 0.00 H new ATOM 0 HB ILE A 21 0.191 -8.827 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.949 -10.350 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.394 -10.381 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.807 -8.088 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.299 -6.715 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.688 -7.203 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.223 -10.369 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.260 -8.879 -2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.840 -8.848 -1.981 1.00 0.00 H new ATOM 346 N SER A 22 3.274 -6.759 -1.282 1.00 0.00 N ATOM 347 CA SER A 22 4.354 -6.625 -2.248 1.00 0.00 C ATOM 348 C SER A 22 5.700 -6.651 -1.532 1.00 0.00 C ATOM 349 O SER A 22 6.717 -7.038 -2.107 1.00 0.00 O ATOM 350 CB SER A 22 4.204 -5.328 -3.046 1.00 0.00 C ATOM 351 OG SER A 22 5.238 -5.197 -4.006 1.00 0.00 O ATOM 0 H SER A 22 2.572 -6.020 -1.324 1.00 0.00 H new ATOM 0 HA SER A 22 4.306 -7.463 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.236 -5.315 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.224 -4.475 -2.367 1.00 0.00 H new ATOM 0 HG SER A 22 5.119 -4.361 -4.503 1.00 0.00 H new ATOM 357 N ARG A 23 5.688 -6.249 -0.264 1.00 0.00 N ATOM 358 CA ARG A 23 6.895 -6.240 0.546 1.00 0.00 C ATOM 359 C ARG A 23 7.160 -7.630 1.104 1.00 0.00 C ATOM 360 O ARG A 23 8.306 -8.064 1.192 1.00 0.00 O ATOM 361 CB ARG A 23 6.763 -5.231 1.686 1.00 0.00 C ATOM 362 CG ARG A 23 6.326 -3.851 1.225 1.00 0.00 C ATOM 363 CD ARG A 23 7.427 -2.826 1.422 1.00 0.00 C ATOM 364 NE ARG A 23 7.312 -1.710 0.486 1.00 0.00 N ATOM 365 CZ ARG A 23 6.460 -0.699 0.639 1.00 0.00 C ATOM 366 NH1 ARG A 23 5.647 -0.660 1.688 1.00 0.00 N ATOM 367 NH2 ARG A 23 6.421 0.276 -0.259 1.00 0.00 N ATOM 0 H ARG A 23 4.852 -5.925 0.222 1.00 0.00 H new ATOM 0 HA ARG A 23 7.735 -5.946 -0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.043 -5.608 2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.721 -5.148 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.047 -3.889 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.439 -3.545 1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.391 -2.447 2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.397 -3.307 1.295 1.00 0.00 H new ATOM 0 HE ARG A 23 7.920 -1.705 -0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.673 -1.407 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.996 0.117 1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.044 0.251 -1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.768 1.051 -0.142 1.00 0.00 H new ATOM 381 N VAL A 24 6.087 -8.334 1.456 1.00 0.00 N ATOM 382 CA VAL A 24 6.205 -9.690 1.979 1.00 0.00 C ATOM 383 C VAL A 24 7.004 -10.543 1.008 1.00 0.00 C ATOM 384 O VAL A 24 7.748 -11.439 1.405 1.00 0.00 O ATOM 385 CB VAL A 24 4.826 -10.336 2.203 1.00 0.00 C ATOM 386 CG1 VAL A 24 4.974 -11.701 2.857 1.00 0.00 C ATOM 387 CG2 VAL A 24 3.938 -9.429 3.041 1.00 0.00 C ATOM 0 H VAL A 24 5.130 -7.988 1.388 1.00 0.00 H new ATOM 0 HA VAL A 24 6.714 -9.632 2.941 1.00 0.00 H new ATOM 0 HB VAL A 24 4.350 -10.474 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.988 -12.141 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.567 -12.350 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.473 -11.591 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.968 -9.904 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.407 -9.255 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.802 -8.477 2.527 1.00 0.00 H new ATOM 397 N LEU A 25 6.850 -10.231 -0.273 1.00 0.00 N ATOM 398 CA LEU A 25 7.560 -10.936 -1.329 1.00 0.00 C ATOM 399 C LEU A 25 9.052 -10.638 -1.289 1.00 0.00 C ATOM 400 O LEU A 25 9.831 -11.235 -2.033 1.00 0.00 O ATOM 401 CB LEU A 25 6.990 -10.544 -2.692 1.00 0.00 C ATOM 402 CG LEU A 25 5.677 -11.232 -3.069 1.00 0.00 C ATOM 403 CD1 LEU A 25 4.797 -10.296 -3.884 1.00 0.00 C ATOM 404 CD2 LEU A 25 5.951 -12.515 -3.839 1.00 0.00 C ATOM 0 H LEU A 25 6.235 -9.489 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 25 7.424 -12.006 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.834 -9.465 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.733 -10.769 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 25 5.146 -11.488 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.868 -10.804 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.573 -9.405 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.319 -10.008 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.006 -12.992 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.503 -12.282 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.541 -13.192 -3.220 1.00 0.00 H new ATOM 416 N ASP A 26 9.449 -9.704 -0.434 1.00 0.00 N ATOM 417 CA ASP A 26 10.846 -9.332 -0.328 1.00 0.00 C ATOM 418 C ASP A 26 11.175 -8.787 1.060 1.00 0.00 C ATOM 419 O ASP A 26 12.120 -8.015 1.226 1.00 0.00 O ATOM 420 CB ASP A 26 11.153 -8.297 -1.399 1.00 0.00 C ATOM 421 CG ASP A 26 12.625 -8.247 -1.760 1.00 0.00 C ATOM 422 OD1 ASP A 26 13.269 -9.317 -1.776 1.00 0.00 O ATOM 423 OD2 ASP A 26 13.134 -7.137 -2.025 1.00 0.00 O ATOM 0 H ASP A 26 8.824 -9.195 0.191 1.00 0.00 H new ATOM 0 HA ASP A 26 11.465 -10.217 -0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.571 -8.522 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.835 -7.314 -1.051 1.00 0.00 H new ATOM 428 N GLU A 27 10.391 -9.194 2.055 1.00 0.00 N ATOM 429 CA GLU A 27 10.602 -8.746 3.426 1.00 0.00 C ATOM 430 C GLU A 27 11.914 -9.290 3.982 1.00 0.00 C ATOM 431 O GLU A 27 12.104 -10.503 4.078 1.00 0.00 O ATOM 432 CB GLU A 27 9.436 -9.186 4.313 1.00 0.00 C ATOM 433 CG GLU A 27 8.339 -8.142 4.439 1.00 0.00 C ATOM 434 CD GLU A 27 8.779 -6.927 5.231 1.00 0.00 C ATOM 435 OE1 GLU A 27 10.002 -6.701 5.342 1.00 0.00 O ATOM 436 OE2 GLU A 27 7.900 -6.201 5.742 1.00 0.00 O ATOM 0 H GLU A 27 9.605 -9.833 1.936 1.00 0.00 H new ATOM 0 HA GLU A 27 10.656 -7.657 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.008 -10.103 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.816 -9.423 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.025 -7.828 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.470 -8.590 4.921 1.00 0.00 H new ATOM 443 N GLU A 28 12.817 -8.386 4.346 1.00 0.00 N ATOM 444 CA GLU A 28 14.112 -8.775 4.893 1.00 0.00 C ATOM 445 C GLU A 28 14.038 -8.934 6.408 1.00 0.00 C ATOM 446 O GLU A 28 14.092 -7.953 7.149 1.00 0.00 O ATOM 447 CB GLU A 28 15.175 -7.736 4.530 1.00 0.00 C ATOM 448 CG GLU A 28 15.809 -7.965 3.167 1.00 0.00 C ATOM 449 CD GLU A 28 15.298 -7.000 2.116 1.00 0.00 C ATOM 450 OE1 GLU A 28 14.077 -6.738 2.095 1.00 0.00 O ATOM 451 OE2 GLU A 28 16.119 -6.505 1.316 1.00 0.00 O ATOM 0 H GLU A 28 12.676 -7.378 4.272 1.00 0.00 H new ATOM 0 HA GLU A 28 14.388 -9.736 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.723 -6.744 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.955 -7.746 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.891 -7.864 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.609 -8.987 2.845 1.00 0.00 H new ATOM 458 N ASP A 29 13.913 -10.177 6.861 1.00 0.00 N ATOM 459 CA ASP A 29 13.831 -10.465 8.289 1.00 0.00 C ATOM 460 C ASP A 29 14.834 -11.545 8.684 1.00 0.00 C ATOM 461 O ASP A 29 14.457 -12.674 8.999 1.00 0.00 O ATOM 462 CB ASP A 29 12.414 -10.905 8.661 1.00 0.00 C ATOM 463 CG ASP A 29 12.213 -10.999 10.161 1.00 0.00 C ATOM 464 OD1 ASP A 29 12.256 -9.947 10.832 1.00 0.00 O ATOM 465 OD2 ASP A 29 12.012 -12.124 10.664 1.00 0.00 O ATOM 0 H ASP A 29 13.866 -11.001 6.261 1.00 0.00 H new ATOM 0 HA ASP A 29 14.074 -9.553 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.696 -10.199 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.207 -11.874 8.208 1.00 0.00 H new ATOM 470 N ASP A 30 16.115 -11.190 8.666 1.00 0.00 N ATOM 471 CA ASP A 30 17.173 -12.127 9.022 1.00 0.00 C ATOM 472 C ASP A 30 17.160 -13.341 8.098 1.00 0.00 C ATOM 473 O ASP A 30 16.519 -14.349 8.391 1.00 0.00 O ATOM 474 CB ASP A 30 17.016 -12.578 10.476 1.00 0.00 C ATOM 475 CG ASP A 30 17.694 -11.634 11.450 1.00 0.00 C ATOM 476 OD1 ASP A 30 17.111 -10.571 11.750 1.00 0.00 O ATOM 477 OD2 ASP A 30 18.808 -11.959 11.913 1.00 0.00 O ATOM 0 H ASP A 30 16.445 -10.260 8.408 1.00 0.00 H new ATOM 0 HA ASP A 30 18.129 -11.616 8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.956 -12.647 10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.436 -13.577 10.591 1.00 0.00 H new ATOM 482 N SER A 31 17.874 -13.236 6.981 1.00 0.00 N ATOM 483 CA SER A 31 17.944 -14.325 6.015 1.00 0.00 C ATOM 484 C SER A 31 18.529 -15.581 6.653 1.00 0.00 C ATOM 485 O SER A 31 17.823 -16.566 6.871 1.00 0.00 O ATOM 486 CB SER A 31 18.789 -13.912 4.809 1.00 0.00 C ATOM 487 OG SER A 31 20.114 -13.594 5.198 1.00 0.00 O ATOM 0 H SER A 31 18.411 -12.408 6.724 1.00 0.00 H new ATOM 0 HA SER A 31 16.930 -14.546 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.806 -14.721 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.334 -13.051 4.320 1.00 0.00 H new ATOM 0 HG SER A 31 20.633 -13.335 4.408 1.00 0.00 H new ATOM 493 N ARG A 32 19.823 -15.539 6.952 1.00 0.00 N ATOM 494 CA ARG A 32 20.504 -16.672 7.567 1.00 0.00 C ATOM 495 C ARG A 32 20.410 -17.911 6.681 1.00 0.00 C ATOM 496 O ARG A 32 19.841 -17.864 5.591 1.00 0.00 O ATOM 497 CB ARG A 32 19.904 -16.968 8.943 1.00 0.00 C ATOM 498 CG ARG A 32 20.588 -16.223 10.077 1.00 0.00 C ATOM 499 CD ARG A 32 19.710 -16.169 11.318 1.00 0.00 C ATOM 500 NE ARG A 32 20.486 -16.335 12.544 1.00 0.00 N ATOM 501 CZ ARG A 32 20.913 -17.512 12.997 1.00 0.00 C ATOM 502 NH1 ARG A 32 20.644 -18.626 12.327 1.00 0.00 N ATOM 503 NH2 ARG A 32 21.613 -17.575 14.122 1.00 0.00 N ATOM 0 H ARG A 32 20.422 -14.732 6.778 1.00 0.00 H new ATOM 0 HA ARG A 32 21.556 -16.411 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.846 -16.706 8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.965 -18.039 9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.531 -16.713 10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.828 -15.210 9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 32 19.183 -15.215 11.348 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.952 -16.950 11.260 1.00 0.00 H new ATOM 0 HE ARG A 32 20.714 -15.501 13.085 1.00 0.00 H new ATOM 0 HH11 ARG A 32 20.108 -18.583 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 32 20.974 -19.525 12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 32 21.824 -16.722 14.640 1.00 0.00 H new ATOM 0 HH22 ARG A 32 21.940 -18.477 14.469 1.00 0.00 H new ATOM 517 N LYS A 33 20.973 -19.016 7.157 1.00 0.00 N ATOM 518 CA LYS A 33 20.953 -20.268 6.409 1.00 0.00 C ATOM 519 C LYS A 33 21.065 -21.465 7.348 1.00 0.00 C ATOM 520 O LYS A 33 20.447 -22.508 7.050 1.00 0.00 O ATOM 521 CB LYS A 33 22.095 -20.295 5.391 1.00 0.00 C ATOM 522 CG LYS A 33 23.435 -19.868 5.968 1.00 0.00 C ATOM 523 CD LYS A 33 24.564 -20.088 4.974 1.00 0.00 C ATOM 524 CE LYS A 33 25.186 -21.465 5.134 1.00 0.00 C ATOM 525 NZ LYS A 33 24.213 -22.553 4.839 1.00 0.00 N ATOM 526 OXT LYS A 33 21.770 -21.349 8.372 1.00 0.00 O ATOM 0 H LYS A 33 21.449 -19.070 8.057 1.00 0.00 H new ATOM 0 HA LYS A 33 20.002 -20.332 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.187 -21.303 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.843 -19.640 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.394 -18.815 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.636 -20.431 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 33 24.184 -19.975 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.328 -19.324 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.044 -21.555 4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.559 -21.578 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.728 -23.431 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.599 -22.703 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.631 -22.286 4.019 1.00 0.00 H new TER 540 LYS A 33