USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 487 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 LEU N :NH3+ -146:sc= -0.0451 (180deg=-0.5) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 144:sc= 0.014 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.108) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0265) USER MOD Single : A 19 ASN : amide:sc= -3.87! C(o=-3.9!,f=-7.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -176:sc= 0 (180deg=-0.0254) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= 0.0673 (180deg=-0.0155) USER MOD Single : A 45 SER OG : rot 180:sc= 0.243 USER MOD Single : A 46 SER OG : rot -31:sc= 1.09 USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0711) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 55 ASN : amide:sc= 0.112 K(o=0.11,f=-5.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.648 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.75 K(o=-1.8,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.499 14.555 -5.263 1.00 0.00 N ATOM 2 CA LEU A 1 2.508 13.961 -4.382 1.00 0.00 C ATOM 3 C LEU A 1 1.645 12.981 -5.180 1.00 0.00 C ATOM 4 O LEU A 1 0.459 13.226 -5.395 1.00 0.00 O ATOM 5 CB LEU A 1 1.703 15.051 -3.670 1.00 0.00 C ATOM 6 CG LEU A 1 2.497 15.975 -2.745 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.737 17.277 -2.487 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.868 15.260 -1.444 1.00 0.00 C ATOM 0 H1 LEU A 1 4.377 14.727 -4.732 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.693 13.908 -6.053 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.137 15.456 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 1 2.994 13.388 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.210 15.663 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.918 14.572 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 1 3.429 16.240 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.323 17.916 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.566 17.792 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.779 17.052 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.432 15.939 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.960 14.946 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.477 14.385 -1.671 1.00 0.00 H new ATOM 20 N LYS A 2 2.274 11.892 -5.596 1.00 0.00 N ATOM 21 CA LYS A 2 1.579 10.874 -6.365 1.00 0.00 C ATOM 22 C LYS A 2 1.952 9.491 -5.827 1.00 0.00 C ATOM 23 O LYS A 2 3.124 9.213 -5.578 1.00 0.00 O ATOM 24 CB LYS A 2 1.857 11.048 -7.859 1.00 0.00 C ATOM 25 CG LYS A 2 3.356 10.959 -8.152 1.00 0.00 C ATOM 26 CD LYS A 2 3.635 11.133 -9.646 1.00 0.00 C ATOM 27 CE LYS A 2 5.133 11.038 -9.939 1.00 0.00 C ATOM 28 NZ LYS A 2 5.389 11.206 -11.387 1.00 0.00 N ATOM 0 H LYS A 2 3.258 11.692 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 2 0.500 10.981 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.326 10.281 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.474 12.012 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.886 11.726 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.739 9.995 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.101 10.368 -10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.256 12.099 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.669 11.804 -9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.514 10.073 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.411 11.139 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.893 10.460 -11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.043 12.137 -11.695 1.00 0.00 H new ATOM 42 N CYS A 3 0.933 8.660 -5.663 1.00 0.00 N ATOM 43 CA CYS A 3 1.139 7.313 -5.159 1.00 0.00 C ATOM 44 C CYS A 3 0.449 6.333 -6.111 1.00 0.00 C ATOM 45 O CYS A 3 -0.306 6.744 -6.990 1.00 0.00 O ATOM 46 CB CYS A 3 0.634 7.164 -3.722 1.00 0.00 C ATOM 47 SG CYS A 3 0.948 8.609 -2.644 1.00 0.00 S ATOM 0 H CYS A 3 -0.038 8.894 -5.870 1.00 0.00 H new ATOM 0 HA CYS A 3 2.206 7.094 -5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.439 6.973 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.103 6.287 -3.276 1.00 0.00 H new ATOM 52 N LYS A 4 0.734 5.056 -5.902 1.00 0.00 N ATOM 53 CA LYS A 4 0.151 4.015 -6.731 1.00 0.00 C ATOM 54 C LYS A 4 -1.163 3.546 -6.103 1.00 0.00 C ATOM 55 O LYS A 4 -1.363 3.682 -4.897 1.00 0.00 O ATOM 56 CB LYS A 4 1.159 2.887 -6.962 1.00 0.00 C ATOM 57 CG LYS A 4 2.245 3.317 -7.951 1.00 0.00 C ATOM 58 CD LYS A 4 1.850 2.964 -9.386 1.00 0.00 C ATOM 59 CE LYS A 4 2.924 3.418 -10.378 1.00 0.00 C ATOM 60 NZ LYS A 4 2.510 3.112 -11.765 1.00 0.00 N ATOM 0 H LYS A 4 1.361 4.719 -5.171 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.089 4.405 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.617 2.604 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.643 2.006 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.411 4.391 -7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.186 2.829 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.702 1.887 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.899 3.437 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.097 4.489 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.867 2.919 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.836 3.869 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.929 2.207 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.473 3.045 -11.811 1.00 0.00 H new ATOM 74 N LYS A 5 -2.025 3.003 -6.950 1.00 0.00 N ATOM 75 CA LYS A 5 -3.315 2.513 -6.493 1.00 0.00 C ATOM 76 C LYS A 5 -3.182 1.045 -6.083 1.00 0.00 C ATOM 77 O LYS A 5 -2.073 0.521 -5.988 1.00 0.00 O ATOM 78 CB LYS A 5 -4.388 2.760 -7.555 1.00 0.00 C ATOM 79 CG LYS A 5 -4.501 4.249 -7.885 1.00 0.00 C ATOM 80 CD LYS A 5 -5.947 4.632 -8.204 1.00 0.00 C ATOM 81 CE LYS A 5 -6.378 4.067 -9.559 1.00 0.00 C ATOM 82 NZ LYS A 5 -7.780 4.439 -9.854 1.00 0.00 N ATOM 0 H LYS A 5 -1.856 2.891 -7.950 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.640 3.063 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.145 2.201 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.349 2.389 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.142 4.840 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.862 4.486 -8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.607 4.256 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.046 5.717 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.722 4.446 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.277 2.982 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.056 4.048 -10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.404 4.056 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.867 5.475 -9.878 1.00 0.00 H new ATOM 96 N LEU A 6 -4.328 0.422 -5.851 1.00 0.00 N ATOM 97 CA LEU A 6 -4.353 -0.975 -5.454 1.00 0.00 C ATOM 98 C LEU A 6 -3.499 -1.793 -6.424 1.00 0.00 C ATOM 99 O LEU A 6 -2.823 -2.737 -6.018 1.00 0.00 O ATOM 100 CB LEU A 6 -5.795 -1.473 -5.335 1.00 0.00 C ATOM 101 CG LEU A 6 -6.786 -0.506 -4.683 1.00 0.00 C ATOM 102 CD1 LEU A 6 -7.641 0.197 -5.738 1.00 0.00 C ATOM 103 CD2 LEU A 6 -7.642 -1.222 -3.636 1.00 0.00 C ATOM 0 H LEU A 6 -5.246 0.859 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.915 -1.096 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.158 -1.716 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.792 -2.400 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.218 0.265 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.336 0.878 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.996 0.760 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.201 -0.546 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.338 -0.513 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.201 -2.027 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.997 -1.637 -2.861 1.00 0.00 H new ATOM 115 N VAL A 7 -3.557 -1.401 -7.689 1.00 0.00 N ATOM 116 CA VAL A 7 -2.797 -2.086 -8.720 1.00 0.00 C ATOM 117 C VAL A 7 -1.527 -1.289 -9.025 1.00 0.00 C ATOM 118 O VAL A 7 -1.587 -0.084 -9.262 1.00 0.00 O ATOM 119 CB VAL A 7 -3.673 -2.309 -9.955 1.00 0.00 C ATOM 120 CG1 VAL A 7 -2.939 -3.144 -11.005 1.00 0.00 C ATOM 121 CG2 VAL A 7 -5.005 -2.957 -9.571 1.00 0.00 C ATOM 0 H VAL A 7 -4.119 -0.618 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.488 -3.072 -8.375 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.888 -1.335 -10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.584 -3.287 -11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.030 -2.626 -11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.679 -4.114 -10.582 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.609 -3.105 -10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.818 -3.920 -9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.538 -2.308 -8.876 1.00 0.00 H new ATOM 131 N PRO A 8 -0.376 -2.015 -9.010 1.00 0.00 N ATOM 132 CA PRO A 8 0.907 -1.389 -9.282 1.00 0.00 C ATOM 133 C PRO A 8 1.069 -1.098 -10.775 1.00 0.00 C ATOM 134 O PRO A 8 2.024 -1.556 -11.400 1.00 0.00 O ATOM 135 CB PRO A 8 1.942 -2.367 -8.751 1.00 0.00 C ATOM 136 CG PRO A 8 1.227 -3.703 -8.625 1.00 0.00 C ATOM 137 CD PRO A 8 -0.267 -3.444 -8.734 1.00 0.00 C ATOM 0 HA PRO A 8 1.012 -0.418 -8.799 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.793 -2.442 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.330 -2.039 -7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.554 -4.386 -9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.464 -4.174 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.714 -4.037 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.783 -3.710 -7.812 1.00 0.00 H new ATOM 145 N LEU A 9 0.122 -0.337 -11.304 1.00 0.00 N ATOM 146 CA LEU A 9 0.148 0.020 -12.712 1.00 0.00 C ATOM 147 C LEU A 9 -0.392 1.441 -12.883 1.00 0.00 C ATOM 148 O LEU A 9 0.199 2.252 -13.596 1.00 0.00 O ATOM 149 CB LEU A 9 -0.598 -1.025 -13.544 1.00 0.00 C ATOM 150 CG LEU A 9 0.200 -2.274 -13.925 1.00 0.00 C ATOM 151 CD1 LEU A 9 -0.730 -3.462 -14.179 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.116 -1.997 -15.118 1.00 0.00 C ATOM 0 H LEU A 9 -0.668 0.042 -10.782 1.00 0.00 H new ATOM 0 HA LEU A 9 1.172 0.020 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.482 -1.338 -12.989 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.948 -0.549 -14.460 1.00 0.00 H new ATOM 0 HG LEU A 9 0.840 -2.540 -13.084 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.138 -4.337 -14.448 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.303 -3.675 -13.276 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.413 -3.222 -14.994 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.671 -2.901 -15.368 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.515 -1.692 -15.975 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.815 -1.201 -14.863 1.00 0.00 H new ATOM 164 N PHE A 10 -1.507 1.701 -12.217 1.00 0.00 N ATOM 165 CA PHE A 10 -2.133 3.010 -12.286 1.00 0.00 C ATOM 166 C PHE A 10 -1.784 3.851 -11.056 1.00 0.00 C ATOM 167 O PHE A 10 -1.805 3.351 -9.932 1.00 0.00 O ATOM 168 CB PHE A 10 -3.645 2.782 -12.321 1.00 0.00 C ATOM 169 CG PHE A 10 -4.197 2.479 -13.716 1.00 0.00 C ATOM 170 CD1 PHE A 10 -4.192 1.202 -14.186 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.692 3.485 -14.485 1.00 0.00 C ATOM 172 CE1 PHE A 10 -4.704 0.920 -15.480 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.203 3.203 -15.780 1.00 0.00 C ATOM 174 CZ PHE A 10 -5.199 1.926 -16.249 1.00 0.00 C ATOM 0 H PHE A 10 -1.994 1.027 -11.626 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.782 3.544 -13.169 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.893 1.955 -11.656 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.145 3.667 -11.928 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.799 0.403 -13.575 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.697 4.498 -14.111 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.700 -0.093 -15.853 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.595 4.002 -16.392 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.589 1.711 -17.233 1.00 0.00 H new ATOM 184 N SER A 11 -1.471 5.113 -11.310 1.00 0.00 N ATOM 185 CA SER A 11 -1.119 6.027 -10.238 1.00 0.00 C ATOM 186 C SER A 11 -2.104 7.197 -10.202 1.00 0.00 C ATOM 187 O SER A 11 -2.646 7.588 -11.235 1.00 0.00 O ATOM 188 CB SER A 11 0.313 6.543 -10.402 1.00 0.00 C ATOM 189 OG SER A 11 0.631 6.808 -11.765 1.00 0.00 O ATOM 0 H SER A 11 -1.454 5.524 -12.243 1.00 0.00 H new ATOM 0 HA SER A 11 -1.175 5.485 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.440 7.454 -9.816 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.012 5.808 -10.003 1.00 0.00 H new ATOM 0 HG SER A 11 1.552 7.137 -11.828 1.00 0.00 H new ATOM 195 N LYS A 12 -2.305 7.723 -9.003 1.00 0.00 N ATOM 196 CA LYS A 12 -3.215 8.841 -8.820 1.00 0.00 C ATOM 197 C LYS A 12 -2.572 9.869 -7.886 1.00 0.00 C ATOM 198 O LYS A 12 -2.001 9.508 -6.858 1.00 0.00 O ATOM 199 CB LYS A 12 -4.582 8.346 -8.341 1.00 0.00 C ATOM 200 CG LYS A 12 -5.529 9.519 -8.079 1.00 0.00 C ATOM 201 CD LYS A 12 -6.915 9.023 -7.665 1.00 0.00 C ATOM 202 CE LYS A 12 -7.885 10.192 -7.484 1.00 0.00 C ATOM 203 NZ LYS A 12 -7.493 11.015 -6.319 1.00 0.00 N ATOM 0 H LYS A 12 -1.854 7.396 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.398 9.343 -9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.016 7.684 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.462 7.760 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.117 10.155 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.611 10.132 -8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.301 8.339 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.841 8.460 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.895 10.807 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.898 9.814 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.248 11.698 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.342 10.400 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.614 11.526 -6.535 1.00 0.00 H new ATOM 217 N THR A 13 -2.686 11.130 -8.278 1.00 0.00 N ATOM 218 CA THR A 13 -2.123 12.212 -7.490 1.00 0.00 C ATOM 219 C THR A 13 -3.069 12.588 -6.347 1.00 0.00 C ATOM 220 O THR A 13 -4.233 12.912 -6.581 1.00 0.00 O ATOM 221 CB THR A 13 -1.819 13.377 -8.435 1.00 0.00 C ATOM 222 OG1 THR A 13 -0.971 12.806 -9.427 1.00 0.00 O ATOM 223 CG2 THR A 13 -0.952 14.453 -7.778 1.00 0.00 C ATOM 0 H THR A 13 -3.160 11.426 -9.131 1.00 0.00 H new ATOM 0 HA THR A 13 -1.191 11.910 -7.013 1.00 0.00 H new ATOM 0 HB THR A 13 -2.754 13.822 -8.775 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.726 13.492 -10.083 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.766 15.256 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.469 14.854 -6.906 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.003 14.016 -7.468 1.00 0.00 H new ATOM 231 N CYS A 14 -2.534 12.532 -5.137 1.00 0.00 N ATOM 232 CA CYS A 14 -3.316 12.863 -3.957 1.00 0.00 C ATOM 233 C CYS A 14 -3.775 14.318 -4.077 1.00 0.00 C ATOM 234 O CYS A 14 -2.973 15.202 -4.374 1.00 0.00 O ATOM 235 CB CYS A 14 -2.528 12.617 -2.669 1.00 0.00 C ATOM 236 SG CYS A 14 -1.489 11.111 -2.680 1.00 0.00 S ATOM 0 H CYS A 14 -1.569 12.263 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.188 12.212 -3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.890 13.480 -2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.230 12.551 -1.838 1.00 0.00 H new ATOM 241 N PRO A 15 -5.096 14.526 -3.833 1.00 0.00 N ATOM 242 CA PRO A 15 -5.671 15.858 -3.911 1.00 0.00 C ATOM 243 C PRO A 15 -5.279 16.696 -2.692 1.00 0.00 C ATOM 244 O PRO A 15 -4.603 16.206 -1.789 1.00 0.00 O ATOM 245 CB PRO A 15 -7.171 15.634 -4.021 1.00 0.00 C ATOM 246 CG PRO A 15 -7.416 14.215 -3.534 1.00 0.00 C ATOM 247 CD PRO A 15 -6.075 13.502 -3.479 1.00 0.00 C ATOM 0 HA PRO A 15 -5.303 16.426 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.719 16.355 -3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.510 15.758 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.883 14.225 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.098 13.694 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.882 13.097 -2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.043 12.665 -4.177 1.00 0.00 H new ATOM 255 N ALA A 16 -5.721 17.945 -2.706 1.00 0.00 N ATOM 256 CA ALA A 16 -5.425 18.856 -1.613 1.00 0.00 C ATOM 257 C ALA A 16 -5.910 18.242 -0.298 1.00 0.00 C ATOM 258 O ALA A 16 -7.040 17.764 -0.211 1.00 0.00 O ATOM 259 CB ALA A 16 -6.068 20.216 -1.893 1.00 0.00 C ATOM 0 H ALA A 16 -6.282 18.348 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.350 19.015 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.846 20.899 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.669 20.623 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.148 20.096 -1.983 1.00 0.00 H new ATOM 265 N GLY A 17 -5.030 18.274 0.692 1.00 0.00 N ATOM 266 CA GLY A 17 -5.354 17.727 1.999 1.00 0.00 C ATOM 267 C GLY A 17 -4.516 16.481 2.295 1.00 0.00 C ATOM 268 O GLY A 17 -4.045 16.298 3.416 1.00 0.00 O ATOM 0 H GLY A 17 -4.093 18.670 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.176 18.480 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.414 17.475 2.039 1.00 0.00 H new ATOM 272 N LYS A 18 -4.356 15.658 1.269 1.00 0.00 N ATOM 273 CA LYS A 18 -3.584 14.435 1.405 1.00 0.00 C ATOM 274 C LYS A 18 -2.219 14.622 0.738 1.00 0.00 C ATOM 275 O LYS A 18 -2.131 15.163 -0.363 1.00 0.00 O ATOM 276 CB LYS A 18 -4.372 13.240 0.866 1.00 0.00 C ATOM 277 CG LYS A 18 -5.739 13.134 1.546 1.00 0.00 C ATOM 278 CD LYS A 18 -6.631 12.120 0.828 1.00 0.00 C ATOM 279 CE LYS A 18 -7.880 11.806 1.654 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.747 13.001 1.757 1.00 0.00 N ATOM 0 H LYS A 18 -4.748 15.814 0.340 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.399 14.217 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.504 13.343 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.807 12.323 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.609 12.837 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.223 14.110 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.924 12.513 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.071 11.203 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.432 10.987 1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.590 11.473 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.614 12.757 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.240 13.755 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.997 13.332 0.803 1.00 0.00 H new ATOM 294 N ASN A 19 -1.189 14.165 1.434 1.00 0.00 N ATOM 295 CA ASN A 19 0.167 14.275 0.923 1.00 0.00 C ATOM 296 C ASN A 19 0.981 13.064 1.384 1.00 0.00 C ATOM 297 O ASN A 19 2.210 13.113 1.413 1.00 0.00 O ATOM 298 CB ASN A 19 0.854 15.536 1.452 1.00 0.00 C ATOM 299 CG ASN A 19 0.306 16.788 0.764 1.00 0.00 C ATOM 300 OD1 ASN A 19 -0.215 16.745 -0.338 1.00 0.00 O ATOM 301 ND2 ASN A 19 0.453 17.903 1.475 1.00 0.00 N ATOM 0 H ASN A 19 -1.266 13.718 2.347 1.00 0.00 H new ATOM 0 HA ASN A 19 0.115 14.322 -0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.703 15.613 2.529 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.929 15.466 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.120 18.793 1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.899 17.868 2.392 1.00 0.00 H new ATOM 308 N LEU A 20 0.263 12.007 1.733 1.00 0.00 N ATOM 309 CA LEU A 20 0.904 10.786 2.191 1.00 0.00 C ATOM 310 C LEU A 20 0.331 9.594 1.422 1.00 0.00 C ATOM 311 O LEU A 20 -0.726 9.702 0.800 1.00 0.00 O ATOM 312 CB LEU A 20 0.780 10.653 3.711 1.00 0.00 C ATOM 313 CG LEU A 20 1.533 11.697 4.539 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.083 11.665 6.000 1.00 0.00 C ATOM 315 CD2 LEU A 20 3.046 11.518 4.401 1.00 0.00 C ATOM 0 H LEU A 20 -0.756 11.971 1.708 1.00 0.00 H new ATOM 0 HA LEU A 20 1.973 10.817 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.276 10.702 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.136 9.664 4.000 1.00 0.00 H new ATOM 0 HG LEU A 20 1.289 12.685 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.633 12.416 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.015 11.878 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.279 10.678 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.558 12.272 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.328 10.525 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.332 11.629 3.355 1.00 0.00 H new ATOM 327 N CYS A 21 1.052 8.485 1.488 1.00 0.00 N ATOM 328 CA CYS A 21 0.629 7.275 0.804 1.00 0.00 C ATOM 329 C CYS A 21 0.348 6.202 1.858 1.00 0.00 C ATOM 330 O CYS A 21 1.258 5.763 2.560 1.00 0.00 O ATOM 331 CB CYS A 21 1.666 6.811 -0.220 1.00 0.00 C ATOM 332 SG CYS A 21 2.328 8.136 -1.295 1.00 0.00 S ATOM 0 H CYS A 21 1.927 8.399 2.005 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.280 7.474 0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.496 6.344 0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.217 6.043 -0.849 1.00 0.00 H new ATOM 337 N TYR A 22 -0.915 5.810 1.936 1.00 0.00 N ATOM 338 CA TYR A 22 -1.327 4.796 2.892 1.00 0.00 C ATOM 339 C TYR A 22 -1.378 3.414 2.238 1.00 0.00 C ATOM 340 O TYR A 22 -1.747 3.289 1.071 1.00 0.00 O ATOM 341 CB TYR A 22 -2.737 5.187 3.340 1.00 0.00 C ATOM 342 CG TYR A 22 -3.852 4.575 2.491 1.00 0.00 C ATOM 343 CD1 TYR A 22 -4.071 3.212 2.518 1.00 0.00 C ATOM 344 CD2 TYR A 22 -4.640 5.385 1.698 1.00 0.00 C ATOM 345 CE1 TYR A 22 -5.121 2.636 1.719 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.690 4.808 0.899 1.00 0.00 C ATOM 347 CZ TYR A 22 -5.879 3.462 0.949 1.00 0.00 C ATOM 348 OH TYR A 22 -6.870 2.917 0.194 1.00 0.00 O ATOM 0 H TYR A 22 -1.667 6.176 1.353 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.623 4.744 3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.875 4.882 4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.828 6.273 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.455 2.578 3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.469 6.451 1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.303 1.571 1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.313 5.430 0.274 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.329 3.625 -0.303 1.00 0.00 H new ATOM 358 N LYS A 23 -1.002 2.411 3.018 1.00 0.00 N ATOM 359 CA LYS A 23 -1.000 1.043 2.529 1.00 0.00 C ATOM 360 C LYS A 23 -1.591 0.123 3.600 1.00 0.00 C ATOM 361 O LYS A 23 -1.234 0.220 4.773 1.00 0.00 O ATOM 362 CB LYS A 23 0.404 0.638 2.077 1.00 0.00 C ATOM 363 CG LYS A 23 0.347 -0.537 1.098 1.00 0.00 C ATOM 364 CD LYS A 23 1.748 -0.920 0.619 1.00 0.00 C ATOM 365 CE LYS A 23 2.489 -1.732 1.683 1.00 0.00 C ATOM 366 NZ LYS A 23 3.738 -2.298 1.127 1.00 0.00 N ATOM 0 H LYS A 23 -0.697 2.519 3.985 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.632 0.953 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.897 1.487 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.005 0.364 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.123 -1.394 1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.274 -0.272 0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.676 -1.500 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.315 -0.019 0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.720 -1.097 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.849 -2.536 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.228 -2.846 1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.510 -2.920 0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.354 -1.526 0.802 1.00 0.00 H new ATOM 380 N MET A 24 -2.485 -0.749 3.157 1.00 0.00 N ATOM 381 CA MET A 24 -3.129 -1.685 4.063 1.00 0.00 C ATOM 382 C MET A 24 -2.716 -3.124 3.748 1.00 0.00 C ATOM 383 O MET A 24 -2.885 -3.591 2.622 1.00 0.00 O ATOM 384 CB MET A 24 -4.648 -1.552 3.940 1.00 0.00 C ATOM 385 CG MET A 24 -5.353 -2.178 5.146 1.00 0.00 C ATOM 386 SD MET A 24 -5.489 -3.944 4.924 1.00 0.00 S ATOM 387 CE MET A 24 -7.248 -4.149 5.146 1.00 0.00 C ATOM 0 H MET A 24 -2.778 -0.827 2.183 1.00 0.00 H new ATOM 0 HA MET A 24 -2.816 -1.451 5.080 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.919 -0.499 3.862 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.986 -2.037 3.024 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.796 -1.959 6.057 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.344 -1.741 5.266 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.498 -5.209 5.110 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.543 -3.739 6.112 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.779 -3.624 4.352 1.00 0.00 H new ATOM 397 N PHE A 25 -2.181 -3.788 4.762 1.00 0.00 N ATOM 398 CA PHE A 25 -1.742 -5.165 4.608 1.00 0.00 C ATOM 399 C PHE A 25 -2.065 -5.987 5.858 1.00 0.00 C ATOM 400 O PHE A 25 -2.394 -5.429 6.904 1.00 0.00 O ATOM 401 CB PHE A 25 -0.225 -5.131 4.412 1.00 0.00 C ATOM 402 CG PHE A 25 0.534 -4.446 5.549 1.00 0.00 C ATOM 403 CD1 PHE A 25 0.628 -3.090 5.585 1.00 0.00 C ATOM 404 CD2 PHE A 25 1.116 -5.193 6.525 1.00 0.00 C ATOM 405 CE1 PHE A 25 1.333 -2.454 6.640 1.00 0.00 C ATOM 406 CE2 PHE A 25 1.821 -4.557 7.581 1.00 0.00 C ATOM 407 CZ PHE A 25 1.915 -3.201 7.616 1.00 0.00 C ATOM 0 H PHE A 25 -2.041 -3.398 5.694 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.252 -5.626 3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.141 -6.153 4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.001 -4.616 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.166 -2.496 4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.042 -6.270 6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.407 -1.377 6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.283 -5.150 8.356 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.452 -2.717 8.419 1.00 0.00 H new ATOM 417 N MET A 26 -1.959 -7.299 5.708 1.00 0.00 N ATOM 418 CA MET A 26 -2.235 -8.203 6.811 1.00 0.00 C ATOM 419 C MET A 26 -0.971 -8.472 7.629 1.00 0.00 C ATOM 420 O MET A 26 0.077 -8.793 7.071 1.00 0.00 O ATOM 421 CB MET A 26 -2.781 -9.524 6.265 1.00 0.00 C ATOM 422 CG MET A 26 -4.304 -9.470 6.121 1.00 0.00 C ATOM 423 SD MET A 26 -4.744 -9.025 4.449 1.00 0.00 S ATOM 424 CE MET A 26 -6.503 -8.794 4.642 1.00 0.00 C ATOM 0 H MET A 26 -1.686 -7.758 4.839 1.00 0.00 H new ATOM 0 HA MET A 26 -2.974 -7.736 7.462 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.328 -9.736 5.297 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.504 -10.340 6.933 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.736 -10.438 6.374 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.718 -8.744 6.820 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.940 -8.510 3.685 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.956 -9.723 4.987 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.689 -8.007 5.373 1.00 0.00 H new ATOM 434 N VAL A 27 -1.111 -8.332 8.939 1.00 0.00 N ATOM 435 CA VAL A 27 0.007 -8.556 9.839 1.00 0.00 C ATOM 436 C VAL A 27 0.389 -10.037 9.813 1.00 0.00 C ATOM 437 O VAL A 27 0.096 -10.775 10.753 1.00 0.00 O ATOM 438 CB VAL A 27 -0.341 -8.054 11.242 1.00 0.00 C ATOM 439 CG1 VAL A 27 -1.507 -8.848 11.835 1.00 0.00 C ATOM 440 CG2 VAL A 27 0.880 -8.104 12.162 1.00 0.00 C ATOM 0 H VAL A 27 -1.982 -8.066 9.399 1.00 0.00 H new ATOM 0 HA VAL A 27 0.879 -7.989 9.512 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.653 -7.013 11.157 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.734 -8.471 12.832 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.384 -8.738 11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.235 -9.902 11.899 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.604 -7.742 13.152 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.237 -9.131 12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.670 -7.475 11.752 1.00 0.00 H new ATOM 450 N ALA A 28 1.036 -10.429 8.725 1.00 0.00 N ATOM 451 CA ALA A 28 1.461 -11.810 8.564 1.00 0.00 C ATOM 452 C ALA A 28 2.380 -11.917 7.345 1.00 0.00 C ATOM 453 O ALA A 28 3.392 -12.616 7.386 1.00 0.00 O ATOM 454 CB ALA A 28 0.231 -12.712 8.447 1.00 0.00 C ATOM 0 H ALA A 28 1.276 -9.815 7.947 1.00 0.00 H new ATOM 0 HA ALA A 28 2.027 -12.142 9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.549 -13.747 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.374 -12.621 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.360 -12.411 7.582 1.00 0.00 H new ATOM 460 N ALA A 29 1.996 -11.213 6.290 1.00 0.00 N ATOM 461 CA ALA A 29 2.773 -11.220 5.063 1.00 0.00 C ATOM 462 C ALA A 29 3.211 -9.792 4.733 1.00 0.00 C ATOM 463 O ALA A 29 2.621 -9.140 3.873 1.00 0.00 O ATOM 464 CB ALA A 29 1.947 -11.850 3.939 1.00 0.00 C ATOM 0 H ALA A 29 1.157 -10.634 6.260 1.00 0.00 H new ATOM 0 HA ALA A 29 3.674 -11.822 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.530 -11.855 3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.686 -12.873 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.036 -11.271 3.788 1.00 0.00 H new ATOM 470 N PRO A 30 4.271 -9.336 5.453 1.00 0.00 N ATOM 471 CA PRO A 30 4.796 -7.997 5.246 1.00 0.00 C ATOM 472 C PRO A 30 5.600 -7.917 3.947 1.00 0.00 C ATOM 473 O PRO A 30 6.786 -7.592 3.966 1.00 0.00 O ATOM 474 CB PRO A 30 5.632 -7.706 6.481 1.00 0.00 C ATOM 475 CG PRO A 30 5.925 -9.058 7.114 1.00 0.00 C ATOM 476 CD PRO A 30 4.995 -10.080 6.480 1.00 0.00 C ATOM 0 HA PRO A 30 4.010 -7.251 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.555 -7.191 6.215 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.094 -7.059 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.966 -9.337 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.769 -9.017 8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.554 -10.910 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.313 -10.505 7.216 1.00 0.00 H new ATOM 484 N HIS A 31 4.922 -8.221 2.850 1.00 0.00 N ATOM 485 CA HIS A 31 5.559 -8.188 1.544 1.00 0.00 C ATOM 486 C HIS A 31 4.510 -7.902 0.468 1.00 0.00 C ATOM 487 O HIS A 31 4.725 -7.064 -0.407 1.00 0.00 O ATOM 488 CB HIS A 31 6.335 -9.481 1.285 1.00 0.00 C ATOM 489 CG HIS A 31 6.935 -9.572 -0.097 1.00 0.00 C ATOM 490 ND1 HIS A 31 7.826 -8.635 -0.591 1.00 0.00 N ATOM 491 CD2 HIS A 31 6.763 -10.497 -1.085 1.00 0.00 C ATOM 492 CE1 HIS A 31 8.168 -8.989 -1.821 1.00 0.00 C ATOM 493 NE2 HIS A 31 7.507 -10.143 -2.125 1.00 0.00 N ATOM 0 H HIS A 31 3.939 -8.491 2.838 1.00 0.00 H new ATOM 0 HA HIS A 31 6.291 -7.381 1.513 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.133 -9.567 2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.668 -10.329 1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.129 -11.369 -1.030 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.850 -8.458 -2.469 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.574 -10.651 -3.007 1.00 0.00 H new ATOM 501 N VAL A 32 3.396 -8.613 0.568 1.00 0.00 N ATOM 502 CA VAL A 32 2.313 -8.446 -0.385 1.00 0.00 C ATOM 503 C VAL A 32 1.234 -7.551 0.228 1.00 0.00 C ATOM 504 O VAL A 32 0.621 -7.910 1.232 1.00 0.00 O ATOM 505 CB VAL A 32 1.781 -9.813 -0.818 1.00 0.00 C ATOM 506 CG1 VAL A 32 0.647 -9.664 -1.835 1.00 0.00 C ATOM 507 CG2 VAL A 32 2.906 -10.688 -1.375 1.00 0.00 C ATOM 0 H VAL A 32 3.221 -9.306 1.295 1.00 0.00 H new ATOM 0 HA VAL A 32 2.672 -7.951 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 32 1.376 -10.309 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.287 -10.651 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.170 -9.097 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.015 -9.138 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.501 -11.654 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.354 -10.198 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.666 -10.836 -0.608 1.00 0.00 H new ATOM 517 N PRO A 33 1.028 -6.373 -0.419 1.00 0.00 N ATOM 518 CA PRO A 33 0.033 -5.424 0.052 1.00 0.00 C ATOM 519 C PRO A 33 -1.381 -5.898 -0.290 1.00 0.00 C ATOM 520 O PRO A 33 -1.559 -6.975 -0.855 1.00 0.00 O ATOM 521 CB PRO A 33 0.397 -4.108 -0.618 1.00 0.00 C ATOM 522 CG PRO A 33 1.292 -4.471 -1.792 1.00 0.00 C ATOM 523 CD PRO A 33 1.735 -5.914 -1.612 1.00 0.00 C ATOM 0 HA PRO A 33 0.033 -5.317 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.496 -3.582 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.914 -3.446 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.755 -4.351 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.157 -3.808 -1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.478 -6.519 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.815 -5.984 -1.483 1.00 0.00 H new ATOM 531 N VAL A 34 -2.351 -5.069 0.069 1.00 0.00 N ATOM 532 CA VAL A 34 -3.743 -5.389 -0.192 1.00 0.00 C ATOM 533 C VAL A 34 -4.415 -4.201 -0.883 1.00 0.00 C ATOM 534 O VAL A 34 -4.970 -4.343 -1.971 1.00 0.00 O ATOM 535 CB VAL A 34 -4.439 -5.796 1.108 1.00 0.00 C ATOM 536 CG1 VAL A 34 -5.855 -6.307 0.835 1.00 0.00 C ATOM 537 CG2 VAL A 34 -3.617 -6.840 1.867 1.00 0.00 C ATOM 0 H VAL A 34 -2.199 -4.176 0.539 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.818 -6.242 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.518 -4.909 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.327 -6.590 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.440 -5.521 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.808 -7.175 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.134 -7.112 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.492 -7.727 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.638 -6.426 2.110 1.00 0.00 H new ATOM 547 N LYS A 35 -4.342 -3.055 -0.222 1.00 0.00 N ATOM 548 CA LYS A 35 -4.936 -1.842 -0.759 1.00 0.00 C ATOM 549 C LYS A 35 -3.892 -0.724 -0.757 1.00 0.00 C ATOM 550 O LYS A 35 -3.000 -0.704 0.089 1.00 0.00 O ATOM 551 CB LYS A 35 -6.216 -1.490 0.003 1.00 0.00 C ATOM 552 CG LYS A 35 -7.198 -2.662 -0.004 1.00 0.00 C ATOM 553 CD LYS A 35 -7.775 -2.903 1.393 1.00 0.00 C ATOM 554 CE LYS A 35 -8.881 -3.959 1.355 1.00 0.00 C ATOM 555 NZ LYS A 35 -10.011 -3.557 2.221 1.00 0.00 N ATOM 0 H LYS A 35 -3.881 -2.941 0.680 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.240 -1.993 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.970 -1.223 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.684 -0.616 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.007 -2.459 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.692 -3.562 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.982 -3.226 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.172 -1.970 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.230 -4.092 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.486 -4.920 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.753 -4.285 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.678 -3.452 3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.398 -2.651 1.888 1.00 0.00 H new ATOM 569 N ARG A 36 -4.038 0.179 -1.716 1.00 0.00 N ATOM 570 CA ARG A 36 -3.118 1.298 -1.835 1.00 0.00 C ATOM 571 C ARG A 36 -3.866 2.554 -2.289 1.00 0.00 C ATOM 572 O ARG A 36 -4.507 2.554 -3.339 1.00 0.00 O ATOM 573 CB ARG A 36 -2.002 0.989 -2.835 1.00 0.00 C ATOM 574 CG ARG A 36 -1.527 -0.459 -2.696 1.00 0.00 C ATOM 575 CD ARG A 36 -0.009 -0.556 -2.860 1.00 0.00 C ATOM 576 NE ARG A 36 0.351 -1.847 -3.487 1.00 0.00 N ATOM 577 CZ ARG A 36 0.140 -2.140 -4.778 1.00 0.00 C ATOM 578 NH1 ARG A 36 -0.429 -1.235 -5.586 1.00 0.00 N ATOM 579 NH2 ARG A 36 0.499 -3.337 -5.261 1.00 0.00 N ATOM 0 H ARG A 36 -4.779 0.159 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.675 1.469 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.360 1.162 -3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.165 1.667 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.817 -0.848 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.018 -1.080 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.352 0.269 -3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.476 -0.466 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 36 0.787 -2.558 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.702 -0.323 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.590 -1.458 -6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.933 -4.026 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.338 -3.560 -6.243 1.00 0.00 H new ATOM 593 N GLY A 37 -3.759 3.594 -1.475 1.00 0.00 N ATOM 594 CA GLY A 37 -4.417 4.853 -1.779 1.00 0.00 C ATOM 595 C GLY A 37 -3.679 6.027 -1.133 1.00 0.00 C ATOM 596 O GLY A 37 -2.563 5.868 -0.640 1.00 0.00 O ATOM 0 H GLY A 37 -3.226 3.590 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.458 4.995 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.446 4.825 -1.422 1.00 0.00 H new ATOM 600 N CYS A 38 -4.331 7.180 -1.158 1.00 0.00 N ATOM 601 CA CYS A 38 -3.751 8.381 -0.581 1.00 0.00 C ATOM 602 C CYS A 38 -4.472 8.678 0.735 1.00 0.00 C ATOM 603 O CYS A 38 -5.579 8.194 0.964 1.00 0.00 O ATOM 604 CB CYS A 38 -3.819 9.564 -1.549 1.00 0.00 C ATOM 605 SG CYS A 38 -2.609 9.504 -2.920 1.00 0.00 S ATOM 0 H CYS A 38 -5.256 7.308 -1.569 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.691 8.218 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.823 9.613 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.664 10.485 -0.987 1.00 0.00 H new ATOM 610 N ILE A 39 -3.814 9.473 1.567 1.00 0.00 N ATOM 611 CA ILE A 39 -4.379 9.841 2.854 1.00 0.00 C ATOM 612 C ILE A 39 -3.719 11.131 3.346 1.00 0.00 C ATOM 613 O ILE A 39 -2.703 11.560 2.800 1.00 0.00 O ATOM 614 CB ILE A 39 -4.265 8.677 3.841 1.00 0.00 C ATOM 615 CG1 ILE A 39 -5.336 8.774 4.929 1.00 0.00 C ATOM 616 CG2 ILE A 39 -2.855 8.594 4.431 1.00 0.00 C ATOM 617 CD1 ILE A 39 -5.744 7.384 5.422 1.00 0.00 C ATOM 0 H ILE A 39 -2.895 9.872 1.375 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.445 10.045 2.758 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.442 7.749 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.959 9.364 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.210 9.296 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.801 7.759 5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.133 8.443 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.625 9.521 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.506 7.481 6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.143 6.805 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.873 6.874 5.834 1.00 0.00 H new ATOM 629 N ASP A 40 -4.323 11.713 4.371 1.00 0.00 N ATOM 630 CA ASP A 40 -3.807 12.945 4.942 1.00 0.00 C ATOM 631 C ASP A 40 -3.218 12.655 6.324 1.00 0.00 C ATOM 632 O ASP A 40 -2.045 12.930 6.573 1.00 0.00 O ATOM 633 CB ASP A 40 -4.919 13.982 5.111 1.00 0.00 C ATOM 634 CG ASP A 40 -4.568 15.166 6.016 1.00 0.00 C ATOM 635 OD1 ASP A 40 -3.394 15.592 5.963 1.00 0.00 O ATOM 636 OD2 ASP A 40 -5.482 15.617 6.739 1.00 0.00 O ATOM 0 H ASP A 40 -5.165 11.354 4.821 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.047 13.337 4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.191 14.364 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.801 13.484 5.515 1.00 0.00 H new ATOM 641 N VAL A 41 -4.059 12.102 7.186 1.00 0.00 N ATOM 642 CA VAL A 41 -3.636 11.771 8.536 1.00 0.00 C ATOM 643 C VAL A 41 -3.450 10.256 8.651 1.00 0.00 C ATOM 644 O VAL A 41 -4.366 9.491 8.356 1.00 0.00 O ATOM 645 CB VAL A 41 -4.638 12.328 9.550 1.00 0.00 C ATOM 646 CG1 VAL A 41 -5.907 11.475 9.592 1.00 0.00 C ATOM 647 CG2 VAL A 41 -4.006 12.441 10.939 1.00 0.00 C ATOM 0 H VAL A 41 -5.031 11.875 6.976 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.675 12.235 8.759 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.920 13.330 9.228 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.602 11.893 10.320 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.374 11.469 8.607 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.651 10.455 9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.739 12.839 11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.682 11.455 11.273 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.146 13.109 10.894 1.00 0.00 H new ATOM 657 N CYS A 42 -2.257 9.870 9.080 1.00 0.00 N ATOM 658 CA CYS A 42 -1.939 8.461 9.237 1.00 0.00 C ATOM 659 C CYS A 42 -2.729 7.920 10.430 1.00 0.00 C ATOM 660 O CYS A 42 -2.557 8.385 11.556 1.00 0.00 O ATOM 661 CB CYS A 42 -0.434 8.236 9.400 1.00 0.00 C ATOM 662 SG CYS A 42 0.110 6.501 9.186 1.00 0.00 S ATOM 0 H CYS A 42 -1.500 10.508 9.324 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.226 7.918 8.336 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.093 8.859 8.677 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.135 8.576 10.392 1.00 0.00 H new ATOM 667 N PRO A 43 -3.602 6.919 10.135 1.00 0.00 N ATOM 668 CA PRO A 43 -4.420 6.310 11.170 1.00 0.00 C ATOM 669 C PRO A 43 -3.586 5.372 12.046 1.00 0.00 C ATOM 670 O PRO A 43 -2.389 5.206 11.819 1.00 0.00 O ATOM 671 CB PRO A 43 -5.531 5.593 10.422 1.00 0.00 C ATOM 672 CG PRO A 43 -5.038 5.435 8.993 1.00 0.00 C ATOM 673 CD PRO A 43 -3.833 6.344 8.813 1.00 0.00 C ATOM 0 HA PRO A 43 -4.834 7.041 11.865 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.742 4.623 10.872 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.457 6.167 10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.767 4.398 8.795 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.825 5.699 8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.964 5.785 8.467 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.029 7.120 8.073 1.00 0.00 H new ATOM 681 N LYS A 44 -4.253 4.785 13.029 1.00 0.00 N ATOM 682 CA LYS A 44 -3.589 3.868 13.940 1.00 0.00 C ATOM 683 C LYS A 44 -3.632 2.454 13.355 1.00 0.00 C ATOM 684 O LYS A 44 -4.457 2.161 12.491 1.00 0.00 O ATOM 685 CB LYS A 44 -4.194 3.972 15.341 1.00 0.00 C ATOM 686 CG LYS A 44 -3.151 3.654 16.414 1.00 0.00 C ATOM 687 CD LYS A 44 -3.670 2.592 17.385 1.00 0.00 C ATOM 688 CE LYS A 44 -2.578 2.167 18.368 1.00 0.00 C ATOM 689 NZ LYS A 44 -1.619 1.250 17.713 1.00 0.00 N ATOM 0 H LYS A 44 -5.246 4.927 13.214 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.538 4.136 14.051 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.587 4.977 15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.034 3.283 15.430 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.234 3.303 15.942 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.900 4.562 16.963 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.526 2.984 17.934 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.020 1.724 16.827 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.053 3.047 18.740 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.028 1.676 19.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.188 0.630 18.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.119 0.671 17.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.876 1.804 17.241 1.00 0.00 H new ATOM 703 N SER A 45 -2.733 1.616 13.850 1.00 0.00 N ATOM 704 CA SER A 45 -2.658 0.241 13.388 1.00 0.00 C ATOM 705 C SER A 45 -3.335 -0.688 14.397 1.00 0.00 C ATOM 706 O SER A 45 -3.530 -0.317 15.554 1.00 0.00 O ATOM 707 CB SER A 45 -1.206 -0.186 13.164 1.00 0.00 C ATOM 708 OG SER A 45 -0.736 0.176 11.868 1.00 0.00 O ATOM 0 H SER A 45 -2.050 1.863 14.567 1.00 0.00 H new ATOM 0 HA SER A 45 -3.180 0.172 12.434 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.572 0.275 13.921 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.122 -1.265 13.292 1.00 0.00 H new ATOM 0 HG SER A 45 0.195 -0.112 11.765 1.00 0.00 H new ATOM 714 N SER A 46 -3.674 -1.878 13.923 1.00 0.00 N ATOM 715 CA SER A 46 -4.325 -2.863 14.770 1.00 0.00 C ATOM 716 C SER A 46 -3.526 -4.168 14.764 1.00 0.00 C ATOM 717 O SER A 46 -2.469 -4.250 14.140 1.00 0.00 O ATOM 718 CB SER A 46 -5.763 -3.119 14.313 1.00 0.00 C ATOM 719 OG SER A 46 -5.812 -3.867 13.101 1.00 0.00 O ATOM 0 H SER A 46 -3.510 -2.182 12.963 1.00 0.00 H new ATOM 0 HA SER A 46 -4.360 -2.470 15.786 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.301 -3.657 15.093 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.274 -2.166 14.172 1.00 0.00 H new ATOM 0 HG SER A 46 -5.029 -3.653 12.552 1.00 0.00 H new ATOM 725 N LEU A 47 -4.062 -5.156 15.465 1.00 0.00 N ATOM 726 CA LEU A 47 -3.413 -6.453 15.549 1.00 0.00 C ATOM 727 C LEU A 47 -3.814 -7.298 14.338 1.00 0.00 C ATOM 728 O LEU A 47 -3.208 -8.334 14.071 1.00 0.00 O ATOM 729 CB LEU A 47 -3.717 -7.119 16.892 1.00 0.00 C ATOM 730 CG LEU A 47 -2.981 -6.548 18.106 1.00 0.00 C ATOM 731 CD1 LEU A 47 -3.549 -5.183 18.499 1.00 0.00 C ATOM 732 CD2 LEU A 47 -3.001 -7.536 19.274 1.00 0.00 C ATOM 0 H LEU A 47 -4.939 -5.084 15.980 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.329 -6.340 15.515 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.789 -7.048 17.076 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.477 -8.179 16.812 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.937 -6.395 17.832 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.008 -4.799 19.364 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.439 -4.489 17.665 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.605 -5.286 18.748 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.471 -7.106 20.124 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.033 -7.744 19.557 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.513 -8.464 18.974 1.00 0.00 H new ATOM 744 N LEU A 48 -4.834 -6.824 13.638 1.00 0.00 N ATOM 745 CA LEU A 48 -5.324 -7.524 12.462 1.00 0.00 C ATOM 746 C LEU A 48 -4.642 -6.957 11.216 1.00 0.00 C ATOM 747 O LEU A 48 -3.852 -7.643 10.569 1.00 0.00 O ATOM 748 CB LEU A 48 -6.852 -7.471 12.405 1.00 0.00 C ATOM 749 CG LEU A 48 -7.509 -8.258 11.269 1.00 0.00 C ATOM 750 CD1 LEU A 48 -7.342 -9.764 11.478 1.00 0.00 C ATOM 751 CD2 LEU A 48 -8.977 -7.860 11.104 1.00 0.00 C ATOM 0 H LEU A 48 -5.335 -5.964 13.862 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.067 -8.582 12.513 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.244 -7.842 13.352 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.157 -6.428 12.321 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.001 -8.004 10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.818 -10.300 10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.281 -10.012 11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.808 -10.055 12.419 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.420 -8.434 10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.516 -8.066 12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.042 -6.796 10.875 1.00 0.00 H new ATOM 763 N VAL A 49 -4.971 -5.709 10.916 1.00 0.00 N ATOM 764 CA VAL A 49 -4.400 -5.042 9.758 1.00 0.00 C ATOM 765 C VAL A 49 -3.429 -3.957 10.228 1.00 0.00 C ATOM 766 O VAL A 49 -3.564 -3.433 11.333 1.00 0.00 O ATOM 767 CB VAL A 49 -5.516 -4.498 8.864 1.00 0.00 C ATOM 768 CG1 VAL A 49 -6.589 -5.561 8.620 1.00 0.00 C ATOM 769 CG2 VAL A 49 -6.127 -3.228 9.460 1.00 0.00 C ATOM 0 H VAL A 49 -5.626 -5.142 11.455 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.832 -5.748 9.152 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.077 -4.237 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.371 -5.149 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.140 -6.426 8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.022 -5.866 9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.918 -2.862 8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.544 -3.451 10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.355 -2.465 9.558 1.00 0.00 H new ATOM 779 N LYS A 50 -2.470 -3.651 9.366 1.00 0.00 N ATOM 780 CA LYS A 50 -1.477 -2.639 9.679 1.00 0.00 C ATOM 781 C LYS A 50 -1.438 -1.604 8.552 1.00 0.00 C ATOM 782 O LYS A 50 -1.356 -1.961 7.378 1.00 0.00 O ATOM 783 CB LYS A 50 -0.121 -3.288 9.964 1.00 0.00 C ATOM 784 CG LYS A 50 -0.057 -3.815 11.399 1.00 0.00 C ATOM 785 CD LYS A 50 1.151 -3.239 12.141 1.00 0.00 C ATOM 786 CE LYS A 50 1.079 -3.557 13.636 1.00 0.00 C ATOM 787 NZ LYS A 50 1.133 -5.019 13.858 1.00 0.00 N ATOM 0 H LYS A 50 -2.360 -4.087 8.450 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.749 -2.109 10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.049 -4.106 9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.675 -2.561 9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.973 -3.552 11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.003 -4.903 11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.069 -3.650 11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.190 -2.159 11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.905 -3.073 14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.158 -3.153 14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.203 -5.213 14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.270 -5.460 13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.964 -5.413 13.373 1.00 0.00 H new ATOM 801 N TYR A 51 -1.497 -0.341 8.950 1.00 0.00 N ATOM 802 CA TYR A 51 -1.470 0.748 7.989 1.00 0.00 C ATOM 803 C TYR A 51 -0.168 1.544 8.099 1.00 0.00 C ATOM 804 O TYR A 51 0.038 2.273 9.068 1.00 0.00 O ATOM 805 CB TYR A 51 -2.644 1.660 8.351 1.00 0.00 C ATOM 806 CG TYR A 51 -3.953 1.300 7.646 1.00 0.00 C ATOM 807 CD1 TYR A 51 -4.214 1.793 6.383 1.00 0.00 C ATOM 808 CD2 TYR A 51 -4.872 0.483 8.271 1.00 0.00 C ATOM 809 CE1 TYR A 51 -5.446 1.454 5.719 1.00 0.00 C ATOM 810 CE2 TYR A 51 -6.104 0.144 7.607 1.00 0.00 C ATOM 811 CZ TYR A 51 -6.330 0.647 6.364 1.00 0.00 C ATOM 812 OH TYR A 51 -7.494 0.327 5.737 1.00 0.00 O ATOM 0 H TYR A 51 -1.563 -0.048 9.925 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.538 0.363 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.801 1.622 9.429 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.381 2.689 8.104 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.495 2.433 5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.667 0.097 9.259 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.663 1.832 4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.832 -0.495 8.085 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.028 -0.257 6.316 1.00 0.00 H new ATOM 822 N VAL A 52 0.677 1.377 7.092 1.00 0.00 N ATOM 823 CA VAL A 52 1.954 2.071 7.064 1.00 0.00 C ATOM 824 C VAL A 52 1.861 3.262 6.108 1.00 0.00 C ATOM 825 O VAL A 52 1.380 3.124 4.985 1.00 0.00 O ATOM 826 CB VAL A 52 3.072 1.094 6.695 1.00 0.00 C ATOM 827 CG1 VAL A 52 4.309 1.841 6.192 1.00 0.00 C ATOM 828 CG2 VAL A 52 3.422 0.189 7.878 1.00 0.00 C ATOM 0 H VAL A 52 0.503 0.772 6.290 1.00 0.00 H new ATOM 0 HA VAL A 52 2.197 2.465 8.051 1.00 0.00 H new ATOM 0 HB VAL A 52 2.710 0.461 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.089 1.123 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.048 2.423 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.673 2.509 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.219 -0.496 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.755 0.800 8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.542 -0.383 8.172 1.00 0.00 H new ATOM 838 N CYS A 53 2.330 4.404 6.589 1.00 0.00 N ATOM 839 CA CYS A 53 2.306 5.618 5.792 1.00 0.00 C ATOM 840 C CYS A 53 3.750 6.044 5.521 1.00 0.00 C ATOM 841 O CYS A 53 4.609 5.928 6.394 1.00 0.00 O ATOM 842 CB CYS A 53 1.502 6.727 6.474 1.00 0.00 C ATOM 843 SG CYS A 53 -0.096 6.190 7.185 1.00 0.00 S ATOM 0 H CYS A 53 2.729 4.514 7.521 1.00 0.00 H new ATOM 0 HA CYS A 53 1.802 5.424 4.845 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.109 7.161 7.268 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.313 7.518 5.749 1.00 0.00 H new ATOM 848 N CYS A 54 3.973 6.528 4.308 1.00 0.00 N ATOM 849 CA CYS A 54 5.299 6.971 3.912 1.00 0.00 C ATOM 850 C CYS A 54 5.161 8.317 3.197 1.00 0.00 C ATOM 851 O CYS A 54 4.198 8.540 2.465 1.00 0.00 O ATOM 852 CB CYS A 54 6.006 5.932 3.040 1.00 0.00 C ATOM 853 SG CYS A 54 4.912 5.023 1.888 1.00 0.00 S ATOM 0 H CYS A 54 3.258 6.623 3.587 1.00 0.00 H new ATOM 0 HA CYS A 54 5.924 7.092 4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.783 6.432 2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.505 5.212 3.689 1.00 0.00 H new ATOM 858 N ASN A 55 6.139 9.179 3.433 1.00 0.00 N ATOM 859 CA ASN A 55 6.139 10.497 2.821 1.00 0.00 C ATOM 860 C ASN A 55 7.085 10.496 1.619 1.00 0.00 C ATOM 861 O ASN A 55 7.901 11.403 1.465 1.00 0.00 O ATOM 862 CB ASN A 55 6.628 11.561 3.806 1.00 0.00 C ATOM 863 CG ASN A 55 8.062 11.277 4.254 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.542 10.155 4.214 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.718 12.351 4.683 1.00 0.00 N ATOM 0 H ASN A 55 6.937 8.990 4.040 1.00 0.00 H new ATOM 0 HA ASN A 55 5.118 10.728 2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.577 12.544 3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.970 11.587 4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.682 12.265 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.257 13.261 4.690 1.00 0.00 H new ATOM 872 N THR A 56 6.944 9.467 0.796 1.00 0.00 N ATOM 873 CA THR A 56 7.776 9.335 -0.388 1.00 0.00 C ATOM 874 C THR A 56 6.923 8.956 -1.600 1.00 0.00 C ATOM 875 O THR A 56 5.927 8.246 -1.465 1.00 0.00 O ATOM 876 CB THR A 56 8.880 8.321 -0.081 1.00 0.00 C ATOM 877 OG1 THR A 56 8.285 7.437 0.865 1.00 0.00 O ATOM 878 CG2 THR A 56 10.053 8.945 0.679 1.00 0.00 C ATOM 0 H THR A 56 6.266 8.717 0.926 1.00 0.00 H new ATOM 0 HA THR A 56 8.249 10.283 -0.646 1.00 0.00 H new ATOM 0 HB THR A 56 9.242 7.884 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.932 6.746 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.808 8.183 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.489 9.745 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.698 9.352 1.626 1.00 0.00 H new ATOM 886 N ASP A 57 7.344 9.446 -2.757 1.00 0.00 N ATOM 887 CA ASP A 57 6.631 9.167 -3.991 1.00 0.00 C ATOM 888 C ASP A 57 6.741 7.675 -4.313 1.00 0.00 C ATOM 889 O ASP A 57 7.781 7.062 -4.080 1.00 0.00 O ATOM 890 CB ASP A 57 7.230 9.949 -5.162 1.00 0.00 C ATOM 891 CG ASP A 57 7.083 11.469 -5.067 1.00 0.00 C ATOM 892 OD1 ASP A 57 5.994 11.958 -5.438 1.00 0.00 O ATOM 893 OD2 ASP A 57 8.063 12.107 -4.625 1.00 0.00 O ATOM 0 H ASP A 57 8.170 10.035 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 57 5.591 9.463 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.290 9.706 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.758 9.610 -6.085 1.00 0.00 H new ATOM 898 N LYS A 58 5.654 7.135 -4.844 1.00 0.00 N ATOM 899 CA LYS A 58 5.615 5.727 -5.200 1.00 0.00 C ATOM 900 C LYS A 58 6.332 4.913 -4.122 1.00 0.00 C ATOM 901 O LYS A 58 7.253 4.154 -4.421 1.00 0.00 O ATOM 902 CB LYS A 58 6.178 5.515 -6.607 1.00 0.00 C ATOM 903 CG LYS A 58 7.589 6.094 -6.726 1.00 0.00 C ATOM 904 CD LYS A 58 8.217 5.734 -8.074 1.00 0.00 C ATOM 905 CE LYS A 58 9.616 6.339 -8.206 1.00 0.00 C ATOM 906 NZ LYS A 58 10.214 5.984 -9.513 1.00 0.00 N ATOM 0 H LYS A 58 4.793 7.647 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 58 4.585 5.371 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.197 4.450 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.524 5.988 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.552 7.178 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.212 5.713 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.275 4.650 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.583 6.096 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.560 7.423 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.252 5.978 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.163 6.403 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.285 4.949 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.615 6.350 -10.280 1.00 0.00 H new ATOM 920 N CYS A 59 5.884 5.098 -2.889 1.00 0.00 N ATOM 921 CA CYS A 59 6.472 4.391 -1.764 1.00 0.00 C ATOM 922 C CYS A 59 5.564 3.210 -1.413 1.00 0.00 C ATOM 923 O CYS A 59 6.046 2.108 -1.155 1.00 0.00 O ATOM 924 CB CYS A 59 6.693 5.316 -0.566 1.00 0.00 C ATOM 925 SG CYS A 59 5.163 6.014 0.158 1.00 0.00 S ATOM 0 H CYS A 59 5.120 5.728 -2.644 1.00 0.00 H new ATOM 0 HA CYS A 59 7.460 4.021 -2.040 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.225 4.764 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.340 6.137 -0.874 1.00 0.00 H new ATOM 930 N ASN A 60 4.267 3.480 -1.414 1.00 0.00 N ATOM 931 CA ASN A 60 3.289 2.453 -1.099 1.00 0.00 C ATOM 932 C ASN A 60 3.065 1.573 -2.330 1.00 0.00 C ATOM 933 O ASN A 60 3.858 1.601 -3.270 1.00 0.00 O ATOM 934 CB ASN A 60 1.945 3.074 -0.711 1.00 0.00 C ATOM 935 CG ASN A 60 1.281 3.742 -1.917 1.00 0.00 C ATOM 936 OD1 ASN A 60 1.913 4.053 -2.913 1.00 0.00 O ATOM 937 ND2 ASN A 60 -0.026 3.944 -1.772 1.00 0.00 N ATOM 0 H ASN A 60 3.871 4.395 -1.628 1.00 0.00 H new ATOM 0 HA ASN A 60 3.672 1.868 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.287 2.304 -0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.095 3.809 0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.560 4.384 -2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.494 3.659 -0.911 1.00 0.00 H new