USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 hydrogens (4 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+ -125:sc= -0.0487 (180deg=-0.493) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= -0.0257 (180deg=-0.0575) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 18 LYS NZ :NH3+ 153:sc=0.000632 (180deg=-0.0999) USER MOD Single : A 19 ASN : amide:sc= -0.516 K(o=-0.52,f=-2.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 143:sc= 0.0182 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= -0.0737 (180deg=-0.0737) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 46 SER OG : rot -35:sc= 1.46 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 94:sc=0.000503 USER MOD Single : A 55 ASN : amide:sc= -0.801 X(o=-0.8,f=-0.41) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.88 K(o=-1.9,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.672 14.230 -5.533 1.00 0.00 N ATOM 2 CA LEU A 1 2.907 13.434 -4.589 1.00 0.00 C ATOM 3 C LEU A 1 2.077 12.401 -5.354 1.00 0.00 C ATOM 4 O LEU A 1 0.848 12.416 -5.289 1.00 0.00 O ATOM 5 CB LEU A 1 2.075 14.337 -3.676 1.00 0.00 C ATOM 6 CG LEU A 1 2.863 15.323 -2.810 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.950 16.421 -2.261 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.616 14.594 -1.696 1.00 0.00 C ATOM 0 H1 LEU A 1 4.681 14.190 -5.283 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.538 13.853 -6.493 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.346 15.217 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 1 3.575 12.881 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.379 14.903 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.477 13.705 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 1 3.609 15.809 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.535 17.108 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.499 16.967 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.165 15.971 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.167 15.318 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.905 14.064 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.313 13.880 -2.135 1.00 0.00 H new ATOM 20 N LYS A 2 2.780 11.530 -6.061 1.00 0.00 N ATOM 21 CA LYS A 2 2.124 10.492 -6.838 1.00 0.00 C ATOM 22 C LYS A 2 2.438 9.126 -6.224 1.00 0.00 C ATOM 23 O LYS A 2 3.585 8.845 -5.880 1.00 0.00 O ATOM 24 CB LYS A 2 2.506 10.605 -8.315 1.00 0.00 C ATOM 25 CG LYS A 2 4.008 10.393 -8.510 1.00 0.00 C ATOM 26 CD LYS A 2 4.674 11.657 -9.058 1.00 0.00 C ATOM 27 CE LYS A 2 6.187 11.468 -9.185 1.00 0.00 C ATOM 28 NZ LYS A 2 6.823 12.704 -9.693 1.00 0.00 N ATOM 0 H LYS A 2 3.799 11.521 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 2 1.042 10.617 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.952 9.867 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.221 11.587 -8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.466 10.119 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.176 9.563 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.251 11.902 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.463 12.499 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.610 11.207 -8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.400 10.639 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.850 12.558 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.432 12.936 -10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.635 13.487 -9.035 1.00 0.00 H new ATOM 42 N CYS A 3 1.398 8.313 -6.106 1.00 0.00 N ATOM 43 CA CYS A 3 1.549 6.983 -5.541 1.00 0.00 C ATOM 44 C CYS A 3 0.724 6.007 -6.382 1.00 0.00 C ATOM 45 O CYS A 3 0.025 6.416 -7.307 1.00 0.00 O ATOM 46 CB CYS A 3 1.146 6.947 -4.065 1.00 0.00 C ATOM 47 SG CYS A 3 2.506 7.290 -2.889 1.00 0.00 S ATOM 0 H CYS A 3 0.448 8.550 -6.392 1.00 0.00 H new ATOM 0 HA CYS A 3 2.598 6.689 -5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.351 7.675 -3.902 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.729 5.965 -3.841 1.00 0.00 H new ATOM 52 N LYS A 4 0.833 4.734 -6.029 1.00 0.00 N ATOM 53 CA LYS A 4 0.105 3.696 -6.740 1.00 0.00 C ATOM 54 C LYS A 4 -1.234 3.449 -6.043 1.00 0.00 C ATOM 55 O LYS A 4 -1.358 3.659 -4.837 1.00 0.00 O ATOM 56 CB LYS A 4 0.967 2.439 -6.882 1.00 0.00 C ATOM 57 CG LYS A 4 2.262 2.745 -7.636 1.00 0.00 C ATOM 58 CD LYS A 4 2.960 1.455 -8.072 1.00 0.00 C ATOM 59 CE LYS A 4 2.422 0.968 -9.419 1.00 0.00 C ATOM 60 NZ LYS A 4 3.084 1.685 -10.531 1.00 0.00 N ATOM 0 H LYS A 4 1.414 4.398 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.120 4.017 -7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.202 2.041 -5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.407 1.668 -7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.042 3.357 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.929 3.326 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.034 1.626 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.811 0.684 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.591 -0.104 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.345 1.127 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.707 1.343 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.902 2.705 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.109 1.512 -10.494 1.00 0.00 H new ATOM 74 N LYS A 5 -2.202 3.006 -6.831 1.00 0.00 N ATOM 75 CA LYS A 5 -3.527 2.728 -6.304 1.00 0.00 C ATOM 76 C LYS A 5 -3.593 1.270 -5.844 1.00 0.00 C ATOM 77 O LYS A 5 -2.571 0.588 -5.783 1.00 0.00 O ATOM 78 CB LYS A 5 -4.600 3.097 -7.330 1.00 0.00 C ATOM 79 CG LYS A 5 -4.524 4.582 -7.692 1.00 0.00 C ATOM 80 CD LYS A 5 -5.922 5.168 -7.902 1.00 0.00 C ATOM 81 CE LYS A 5 -6.416 5.874 -6.638 1.00 0.00 C ATOM 82 NZ LYS A 5 -6.657 4.893 -5.556 1.00 0.00 N ATOM 0 H LYS A 5 -2.095 2.833 -7.830 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.727 3.348 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.472 2.493 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.587 2.867 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.013 5.127 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.933 4.709 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.904 5.873 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.616 4.373 -8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.679 6.609 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.335 6.419 -6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.056 5.380 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.326 4.169 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.759 4.440 -5.292 1.00 0.00 H new ATOM 96 N LEU A 6 -4.805 0.835 -5.533 1.00 0.00 N ATOM 97 CA LEU A 6 -5.017 -0.529 -5.081 1.00 0.00 C ATOM 98 C LEU A 6 -4.331 -1.496 -6.048 1.00 0.00 C ATOM 99 O LEU A 6 -3.721 -2.476 -5.624 1.00 0.00 O ATOM 100 CB LEU A 6 -6.510 -0.805 -4.891 1.00 0.00 C ATOM 101 CG LEU A 6 -7.109 -0.368 -3.552 1.00 0.00 C ATOM 102 CD1 LEU A 6 -7.522 1.104 -3.591 1.00 0.00 C ATOM 103 CD2 LEU A 6 -8.269 -1.279 -3.147 1.00 0.00 C ATOM 0 H LEU A 6 -5.650 1.403 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.561 -0.680 -4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.056 -0.305 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.679 -1.875 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.340 -0.466 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.945 1.389 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.649 1.721 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.268 1.252 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.677 -0.947 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.048 -1.237 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.910 -2.304 -3.051 1.00 0.00 H new ATOM 115 N VAL A 7 -4.455 -1.185 -7.331 1.00 0.00 N ATOM 116 CA VAL A 7 -3.854 -2.014 -8.362 1.00 0.00 C ATOM 117 C VAL A 7 -2.541 -1.378 -8.822 1.00 0.00 C ATOM 118 O VAL A 7 -2.495 -0.184 -9.114 1.00 0.00 O ATOM 119 CB VAL A 7 -4.848 -2.228 -9.506 1.00 0.00 C ATOM 120 CG1 VAL A 7 -4.258 -3.143 -10.581 1.00 0.00 C ATOM 121 CG2 VAL A 7 -6.175 -2.780 -8.984 1.00 0.00 C ATOM 0 H VAL A 7 -4.962 -0.371 -7.679 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.615 -3.001 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.046 -1.258 -9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.985 -3.279 -11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.352 -2.692 -10.985 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.017 -4.111 -10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.863 -2.923 -9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.002 -3.735 -8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.607 -2.076 -8.273 1.00 0.00 H new ATOM 131 N PRO A 8 -1.478 -2.225 -8.872 1.00 0.00 N ATOM 132 CA PRO A 8 -0.168 -1.757 -9.291 1.00 0.00 C ATOM 133 C PRO A 8 -0.118 -1.549 -10.806 1.00 0.00 C ATOM 134 O PRO A 8 0.697 -2.162 -11.494 1.00 0.00 O ATOM 135 CB PRO A 8 0.803 -2.821 -8.805 1.00 0.00 C ATOM 136 CG PRO A 8 -0.035 -4.063 -8.545 1.00 0.00 C ATOM 137 CD PRO A 8 -1.496 -3.645 -8.533 1.00 0.00 C ATOM 0 HA PRO A 8 0.085 -0.783 -8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.572 -3.018 -9.552 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.314 -2.498 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.142 -4.811 -9.318 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.240 -4.517 -7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.078 -4.217 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.948 -3.813 -7.555 1.00 0.00 H new ATOM 145 N LEU A 9 -1.001 -0.683 -11.281 1.00 0.00 N ATOM 146 CA LEU A 9 -1.068 -0.386 -12.702 1.00 0.00 C ATOM 147 C LEU A 9 -1.414 1.091 -12.895 1.00 0.00 C ATOM 148 O LEU A 9 -0.784 1.781 -13.695 1.00 0.00 O ATOM 149 CB LEU A 9 -2.035 -1.342 -13.404 1.00 0.00 C ATOM 150 CG LEU A 9 -1.475 -2.718 -13.766 1.00 0.00 C ATOM 151 CD1 LEU A 9 -2.588 -3.766 -13.821 1.00 0.00 C ATOM 152 CD2 LEU A 9 -0.677 -2.660 -15.070 1.00 0.00 C ATOM 0 H LEU A 9 -1.676 -0.177 -10.707 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.098 -0.549 -13.171 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.905 -1.483 -12.762 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.388 -0.864 -14.318 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.784 -3.023 -12.980 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.162 -4.735 -14.080 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.074 -3.832 -12.848 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.322 -3.478 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.290 -3.652 -15.304 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.326 -2.323 -15.879 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.154 -1.964 -14.957 1.00 0.00 H new ATOM 164 N PHE A 10 -2.415 1.534 -12.147 1.00 0.00 N ATOM 165 CA PHE A 10 -2.852 2.917 -12.226 1.00 0.00 C ATOM 166 C PHE A 10 -2.276 3.741 -11.072 1.00 0.00 C ATOM 167 O PHE A 10 -2.223 3.273 -9.936 1.00 0.00 O ATOM 168 CB PHE A 10 -4.378 2.910 -12.119 1.00 0.00 C ATOM 169 CG PHE A 10 -5.094 2.645 -13.446 1.00 0.00 C ATOM 170 CD1 PHE A 10 -5.314 1.367 -13.856 1.00 0.00 C ATOM 171 CD2 PHE A 10 -5.509 3.687 -14.214 1.00 0.00 C ATOM 172 CE1 PHE A 10 -5.977 1.121 -15.087 1.00 0.00 C ATOM 173 CE2 PHE A 10 -6.173 3.441 -15.445 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.393 2.163 -15.856 1.00 0.00 C ATOM 0 H PHE A 10 -2.935 0.959 -11.484 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.511 3.362 -13.161 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.678 2.150 -11.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.709 3.871 -11.725 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.984 0.540 -13.245 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.334 4.702 -13.888 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.151 0.106 -15.413 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.503 4.269 -16.055 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.898 1.976 -16.792 1.00 0.00 H new ATOM 184 N SER A 11 -1.859 4.954 -11.404 1.00 0.00 N ATOM 185 CA SER A 11 -1.288 5.847 -10.410 1.00 0.00 C ATOM 186 C SER A 11 -2.083 7.153 -10.363 1.00 0.00 C ATOM 187 O SER A 11 -2.652 7.575 -11.369 1.00 0.00 O ATOM 188 CB SER A 11 0.185 6.133 -10.707 1.00 0.00 C ATOM 189 OG SER A 11 0.425 6.309 -12.101 1.00 0.00 O ATOM 0 H SER A 11 -1.905 5.339 -12.347 1.00 0.00 H new ATOM 0 HA SER A 11 -1.346 5.358 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.496 7.029 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.796 5.311 -10.335 1.00 0.00 H new ATOM 0 HG SER A 11 1.377 6.491 -12.249 1.00 0.00 H new ATOM 195 N LYS A 12 -2.097 7.758 -9.184 1.00 0.00 N ATOM 196 CA LYS A 12 -2.813 9.008 -8.993 1.00 0.00 C ATOM 197 C LYS A 12 -2.065 9.868 -7.972 1.00 0.00 C ATOM 198 O LYS A 12 -1.398 9.342 -7.083 1.00 0.00 O ATOM 199 CB LYS A 12 -4.272 8.738 -8.619 1.00 0.00 C ATOM 200 CG LYS A 12 -5.119 8.477 -9.866 1.00 0.00 C ATOM 201 CD LYS A 12 -6.610 8.628 -9.558 1.00 0.00 C ATOM 202 CE LYS A 12 -7.464 8.177 -10.745 1.00 0.00 C ATOM 203 NZ LYS A 12 -8.903 8.328 -10.435 1.00 0.00 N ATOM 0 H LYS A 12 -1.624 7.406 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.846 9.574 -9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.327 7.878 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.675 9.591 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.835 9.173 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.921 7.473 -10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.865 8.038 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.832 9.668 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.212 8.766 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.245 7.136 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.468 8.018 -11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.143 7.747 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.111 9.326 -10.229 1.00 0.00 H new ATOM 217 N THR A 13 -2.202 11.176 -8.135 1.00 0.00 N ATOM 218 CA THR A 13 -1.548 12.114 -7.238 1.00 0.00 C ATOM 219 C THR A 13 -2.535 12.625 -6.188 1.00 0.00 C ATOM 220 O THR A 13 -3.594 13.151 -6.529 1.00 0.00 O ATOM 221 CB THR A 13 -0.933 13.228 -8.087 1.00 0.00 C ATOM 222 OG1 THR A 13 0.052 12.563 -8.873 1.00 0.00 O ATOM 223 CG2 THR A 13 -0.129 14.226 -7.250 1.00 0.00 C ATOM 0 H THR A 13 -2.756 11.608 -8.874 1.00 0.00 H new ATOM 0 HA THR A 13 -0.747 11.632 -6.677 1.00 0.00 H new ATOM 0 HB THR A 13 -1.724 13.755 -8.621 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.499 13.212 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.286 14.996 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.782 14.689 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.682 13.705 -6.742 1.00 0.00 H new ATOM 231 N CYS A 14 -2.154 12.452 -4.930 1.00 0.00 N ATOM 232 CA CYS A 14 -2.993 12.890 -3.828 1.00 0.00 C ATOM 233 C CYS A 14 -3.310 14.374 -4.024 1.00 0.00 C ATOM 234 O CYS A 14 -2.407 15.209 -4.028 1.00 0.00 O ATOM 235 CB CYS A 14 -2.333 12.621 -2.474 1.00 0.00 C ATOM 236 SG CYS A 14 -1.513 10.992 -2.330 1.00 0.00 S ATOM 0 H CYS A 14 -1.276 12.015 -4.650 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.922 12.319 -3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.596 13.401 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.090 12.701 -1.694 1.00 0.00 H new ATOM 241 N PRO A 15 -4.628 14.664 -4.186 1.00 0.00 N ATOM 242 CA PRO A 15 -5.075 16.032 -4.382 1.00 0.00 C ATOM 243 C PRO A 15 -5.028 16.818 -3.070 1.00 0.00 C ATOM 244 O PRO A 15 -4.573 16.303 -2.050 1.00 0.00 O ATOM 245 CB PRO A 15 -6.479 15.910 -4.951 1.00 0.00 C ATOM 246 CG PRO A 15 -6.942 14.501 -4.619 1.00 0.00 C ATOM 247 CD PRO A 15 -5.725 13.700 -4.186 1.00 0.00 C ATOM 0 HA PRO A 15 -4.432 16.591 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.144 16.653 -4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.480 16.078 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.688 14.522 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.414 14.040 -5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.869 13.264 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.528 12.876 -4.872 1.00 0.00 H new ATOM 255 N ALA A 16 -5.504 18.053 -3.139 1.00 0.00 N ATOM 256 CA ALA A 16 -5.522 18.914 -1.969 1.00 0.00 C ATOM 257 C ALA A 16 -6.206 18.183 -0.813 1.00 0.00 C ATOM 258 O ALA A 16 -7.289 17.625 -0.981 1.00 0.00 O ATOM 259 CB ALA A 16 -6.215 20.233 -2.317 1.00 0.00 C ATOM 0 H ALA A 16 -5.880 18.477 -3.987 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.507 19.153 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.229 20.879 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.673 20.727 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.238 20.033 -2.637 1.00 0.00 H new ATOM 265 N GLY A 17 -5.546 18.210 0.336 1.00 0.00 N ATOM 266 CA GLY A 17 -6.077 17.556 1.520 1.00 0.00 C ATOM 267 C GLY A 17 -5.193 16.380 1.940 1.00 0.00 C ATOM 268 O GLY A 17 -4.918 16.199 3.125 1.00 0.00 O ATOM 0 H GLY A 17 -4.648 18.675 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.145 18.274 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.089 17.202 1.322 1.00 0.00 H new ATOM 272 N LYS A 18 -4.773 15.612 0.946 1.00 0.00 N ATOM 273 CA LYS A 18 -3.925 14.459 1.197 1.00 0.00 C ATOM 274 C LYS A 18 -2.532 14.719 0.620 1.00 0.00 C ATOM 275 O LYS A 18 -2.402 15.155 -0.523 1.00 0.00 O ATOM 276 CB LYS A 18 -4.583 13.184 0.665 1.00 0.00 C ATOM 277 CG LYS A 18 -5.943 12.952 1.327 1.00 0.00 C ATOM 278 CD LYS A 18 -7.080 13.461 0.438 1.00 0.00 C ATOM 279 CE LYS A 18 -8.443 13.164 1.067 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.636 13.973 2.291 1.00 0.00 N ATOM 0 H LYS A 18 -5.004 15.766 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.802 14.304 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.708 13.259 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.933 12.329 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.079 11.889 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.974 13.461 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.973 14.535 0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.018 12.990 -0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.236 13.382 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.515 12.104 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.652 14.128 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.232 13.470 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.159 14.890 2.179 1.00 0.00 H new ATOM 294 N ASN A 19 -1.527 14.440 1.437 1.00 0.00 N ATOM 295 CA ASN A 19 -0.149 14.639 1.022 1.00 0.00 C ATOM 296 C ASN A 19 0.702 13.468 1.517 1.00 0.00 C ATOM 297 O ASN A 19 1.930 13.547 1.523 1.00 0.00 O ATOM 298 CB ASN A 19 0.426 15.926 1.617 1.00 0.00 C ATOM 299 CG ASN A 19 -0.230 17.159 0.992 1.00 0.00 C ATOM 300 OD1 ASN A 19 -1.432 17.357 1.060 1.00 0.00 O ATOM 301 ND2 ASN A 19 0.625 17.975 0.382 1.00 0.00 N ATOM 0 H ASN A 19 -1.640 14.078 2.384 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.131 14.706 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.270 15.934 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.503 15.959 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.286 18.826 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.620 17.749 0.362 1.00 0.00 H new ATOM 308 N LEU A 20 0.016 12.409 1.921 1.00 0.00 N ATOM 309 CA LEU A 20 0.694 11.223 2.417 1.00 0.00 C ATOM 310 C LEU A 20 0.145 9.989 1.698 1.00 0.00 C ATOM 311 O LEU A 20 -0.947 10.029 1.135 1.00 0.00 O ATOM 312 CB LEU A 20 0.588 11.144 3.942 1.00 0.00 C ATOM 313 CG LEU A 20 1.375 12.198 4.724 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.950 12.221 6.193 1.00 0.00 C ATOM 315 CD2 LEU A 20 2.882 11.987 4.566 1.00 0.00 C ATOM 0 H LEU A 20 -1.002 12.347 1.915 1.00 0.00 H new ATOM 0 HA LEU A 20 1.760 11.273 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.463 11.225 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.926 10.157 4.259 1.00 0.00 H new ATOM 0 HG LEU A 20 1.142 13.177 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.524 12.979 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.112 12.457 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.134 11.244 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.417 12.749 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.153 11.000 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.151 12.061 3.512 1.00 0.00 H new ATOM 327 N CYS A 21 0.929 8.921 1.742 1.00 0.00 N ATOM 328 CA CYS A 21 0.535 7.678 1.101 1.00 0.00 C ATOM 329 C CYS A 21 0.322 6.623 2.190 1.00 0.00 C ATOM 330 O CYS A 21 1.170 6.448 3.063 1.00 0.00 O ATOM 331 CB CYS A 21 1.563 7.226 0.062 1.00 0.00 C ATOM 332 SG CYS A 21 1.756 8.353 -1.366 1.00 0.00 S ATOM 0 H CYS A 21 1.834 8.891 2.211 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.395 7.827 0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.530 7.115 0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.277 6.241 -0.307 1.00 0.00 H new ATOM 337 N TYR A 22 -0.814 5.948 2.101 1.00 0.00 N ATOM 338 CA TYR A 22 -1.149 4.916 3.067 1.00 0.00 C ATOM 339 C TYR A 22 -1.138 3.532 2.416 1.00 0.00 C ATOM 340 O TYR A 22 -1.479 3.391 1.242 1.00 0.00 O ATOM 341 CB TYR A 22 -2.568 5.230 3.545 1.00 0.00 C ATOM 342 CG TYR A 22 -3.666 4.557 2.719 1.00 0.00 C ATOM 343 CD1 TYR A 22 -3.820 3.186 2.763 1.00 0.00 C ATOM 344 CD2 TYR A 22 -4.503 5.321 1.931 1.00 0.00 C ATOM 345 CE1 TYR A 22 -4.854 2.553 1.986 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.537 4.687 1.155 1.00 0.00 C ATOM 347 CZ TYR A 22 -5.661 3.335 1.220 1.00 0.00 C ATOM 348 OH TYR A 22 -6.638 2.736 0.486 1.00 0.00 O ATOM 0 H TYR A 22 -1.515 6.096 1.374 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.426 4.905 3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.667 4.919 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.718 6.309 3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.165 2.588 3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.382 6.394 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.986 1.481 2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.199 5.273 0.535 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.138 3.417 -0.011 1.00 0.00 H new ATOM 358 N LYS A 23 -0.743 2.544 3.206 1.00 0.00 N ATOM 359 CA LYS A 23 -0.683 1.176 2.721 1.00 0.00 C ATOM 360 C LYS A 23 -1.233 0.234 3.795 1.00 0.00 C ATOM 361 O LYS A 23 -0.965 0.416 4.981 1.00 0.00 O ATOM 362 CB LYS A 23 0.737 0.829 2.269 1.00 0.00 C ATOM 363 CG LYS A 23 1.660 0.624 3.471 1.00 0.00 C ATOM 364 CD LYS A 23 3.088 1.071 3.148 1.00 0.00 C ATOM 365 CE LYS A 23 3.761 0.099 2.177 1.00 0.00 C ATOM 366 NZ LYS A 23 5.141 0.541 1.875 1.00 0.00 N ATOM 0 H LYS A 23 -0.461 2.664 4.179 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.312 1.057 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.718 -0.076 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.127 1.628 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.283 1.188 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.660 -0.427 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.070 2.071 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.670 1.133 4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.780 -0.902 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.183 0.037 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.761 -0.290 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.148 1.072 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.486 1.152 2.643 1.00 0.00 H new ATOM 380 N MET A 24 -1.993 -0.751 3.339 1.00 0.00 N ATOM 381 CA MET A 24 -2.583 -1.721 4.246 1.00 0.00 C ATOM 382 C MET A 24 -2.051 -3.128 3.966 1.00 0.00 C ATOM 383 O MET A 24 -2.083 -3.593 2.828 1.00 0.00 O ATOM 384 CB MET A 24 -4.105 -1.710 4.085 1.00 0.00 C ATOM 385 CG MET A 24 -4.793 -2.227 5.350 1.00 0.00 C ATOM 386 SD MET A 24 -6.301 -3.080 4.919 1.00 0.00 S ATOM 387 CE MET A 24 -5.659 -4.722 4.637 1.00 0.00 C ATOM 0 H MET A 24 -2.214 -0.898 2.354 1.00 0.00 H new ATOM 0 HA MET A 24 -2.314 -1.447 5.266 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.444 -0.697 3.870 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.389 -2.328 3.234 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.125 -2.900 5.888 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.014 -1.396 6.019 1.00 0.00 H new ATOM 0 HE1 MET A 24 -6.475 -5.388 4.356 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.922 -4.692 3.834 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.187 -5.090 5.548 1.00 0.00 H new ATOM 397 N PHE A 25 -1.572 -3.766 5.024 1.00 0.00 N ATOM 398 CA PHE A 25 -1.033 -5.110 4.907 1.00 0.00 C ATOM 399 C PHE A 25 -1.661 -6.045 5.943 1.00 0.00 C ATOM 400 O PHE A 25 -2.131 -5.594 6.986 1.00 0.00 O ATOM 401 CB PHE A 25 0.471 -5.013 5.170 1.00 0.00 C ATOM 402 CG PHE A 25 1.288 -4.568 3.956 1.00 0.00 C ATOM 403 CD1 PHE A 25 1.107 -3.325 3.433 1.00 0.00 C ATOM 404 CD2 PHE A 25 2.195 -5.414 3.399 1.00 0.00 C ATOM 405 CE1 PHE A 25 1.865 -2.912 2.305 1.00 0.00 C ATOM 406 CE2 PHE A 25 2.953 -5.001 2.271 1.00 0.00 C ATOM 407 CZ PHE A 25 2.772 -3.759 1.748 1.00 0.00 C ATOM 0 H PHE A 25 -1.546 -3.377 5.966 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.248 -5.512 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.642 -4.312 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.835 -5.985 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.387 -2.652 3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.339 -6.400 3.814 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.721 -1.926 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.673 -5.673 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.348 -3.445 0.890 1.00 0.00 H new ATOM 417 N MET A 26 -1.648 -7.329 5.618 1.00 0.00 N ATOM 418 CA MET A 26 -2.210 -8.331 6.508 1.00 0.00 C ATOM 419 C MET A 26 -1.111 -9.031 7.310 1.00 0.00 C ATOM 420 O MET A 26 -0.078 -9.406 6.758 1.00 0.00 O ATOM 421 CB MET A 26 -2.982 -9.367 5.687 1.00 0.00 C ATOM 422 CG MET A 26 -4.447 -8.959 5.528 1.00 0.00 C ATOM 423 SD MET A 26 -4.705 -8.223 3.922 1.00 0.00 S ATOM 424 CE MET A 26 -4.940 -9.695 2.940 1.00 0.00 C ATOM 0 H MET A 26 -1.257 -7.699 4.751 1.00 0.00 H new ATOM 0 HA MET A 26 -2.882 -7.833 7.207 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.522 -9.474 4.705 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.923 -10.340 6.174 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.091 -9.831 5.645 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.723 -8.252 6.310 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.115 -9.415 1.901 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.049 -10.320 3.003 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.800 -10.250 3.316 1.00 0.00 H new ATOM 434 N VAL A 27 -1.371 -9.186 8.600 1.00 0.00 N ATOM 435 CA VAL A 27 -0.417 -9.834 9.483 1.00 0.00 C ATOM 436 C VAL A 27 -0.279 -11.305 9.087 1.00 0.00 C ATOM 437 O VAL A 27 -0.778 -12.188 9.782 1.00 0.00 O ATOM 438 CB VAL A 27 -0.842 -9.645 10.941 1.00 0.00 C ATOM 439 CG1 VAL A 27 -0.009 -10.527 11.873 1.00 0.00 C ATOM 440 CG2 VAL A 27 -0.752 -8.174 11.352 1.00 0.00 C ATOM 0 H VAL A 27 -2.229 -8.874 9.055 1.00 0.00 H new ATOM 0 HA VAL A 27 0.567 -9.377 9.383 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.884 -9.954 11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.331 -10.374 12.903 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.146 -11.574 11.602 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.044 -10.263 11.779 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.059 -8.067 12.392 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.275 -7.827 11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.408 -7.578 10.717 1.00 0.00 H new ATOM 450 N ALA A 28 0.401 -11.522 7.970 1.00 0.00 N ATOM 451 CA ALA A 28 0.611 -12.871 7.473 1.00 0.00 C ATOM 452 C ALA A 28 1.659 -12.842 6.359 1.00 0.00 C ATOM 453 O ALA A 28 2.536 -13.703 6.303 1.00 0.00 O ATOM 454 CB ALA A 28 -0.723 -13.456 7.004 1.00 0.00 C ATOM 0 H ALA A 28 0.813 -10.787 7.396 1.00 0.00 H new ATOM 0 HA ALA A 28 0.990 -13.517 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.565 -14.468 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.423 -13.482 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.132 -12.835 6.207 1.00 0.00 H new ATOM 460 N ALA A 29 1.534 -11.842 5.499 1.00 0.00 N ATOM 461 CA ALA A 29 2.460 -11.689 4.389 1.00 0.00 C ATOM 462 C ALA A 29 3.049 -10.278 4.413 1.00 0.00 C ATOM 463 O ALA A 29 2.696 -9.439 3.585 1.00 0.00 O ATOM 464 CB ALA A 29 1.737 -11.997 3.076 1.00 0.00 C ATOM 0 H ALA A 29 0.806 -11.130 5.548 1.00 0.00 H new ATOM 0 HA ALA A 29 3.287 -12.393 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.431 -11.882 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.363 -13.020 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.902 -11.308 2.950 1.00 0.00 H new ATOM 470 N PRO A 30 3.961 -10.052 5.397 1.00 0.00 N ATOM 471 CA PRO A 30 4.603 -8.756 5.540 1.00 0.00 C ATOM 472 C PRO A 30 5.666 -8.549 4.459 1.00 0.00 C ATOM 473 O PRO A 30 6.837 -8.333 4.769 1.00 0.00 O ATOM 474 CB PRO A 30 5.177 -8.755 6.947 1.00 0.00 C ATOM 475 CG PRO A 30 5.242 -10.213 7.372 1.00 0.00 C ATOM 476 CD PRO A 30 4.403 -11.021 6.396 1.00 0.00 C ATOM 0 HA PRO A 30 3.910 -7.925 5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.167 -8.299 6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.548 -8.178 7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.274 -10.565 7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.866 -10.332 8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.986 -11.821 5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.555 -11.489 6.896 1.00 0.00 H new ATOM 484 N HIS A 31 5.220 -8.623 3.214 1.00 0.00 N ATOM 485 CA HIS A 31 6.119 -8.446 2.086 1.00 0.00 C ATOM 486 C HIS A 31 5.340 -7.891 0.891 1.00 0.00 C ATOM 487 O HIS A 31 5.792 -6.956 0.232 1.00 0.00 O ATOM 488 CB HIS A 31 6.849 -9.751 1.763 1.00 0.00 C ATOM 489 CG HIS A 31 7.725 -9.677 0.535 1.00 0.00 C ATOM 490 ND1 HIS A 31 8.788 -8.798 0.425 1.00 0.00 N ATOM 491 CD2 HIS A 31 7.686 -10.382 -0.632 1.00 0.00 C ATOM 492 CE1 HIS A 31 9.355 -8.974 -0.760 1.00 0.00 C ATOM 493 NE2 HIS A 31 8.670 -9.956 -1.413 1.00 0.00 N ATOM 0 H HIS A 31 4.248 -8.803 2.961 1.00 0.00 H new ATOM 0 HA HIS A 31 6.890 -7.720 2.342 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.463 -10.033 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.113 -10.543 1.624 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.974 -11.156 -0.878 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.209 -8.435 -1.141 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.880 -10.305 -2.348 1.00 0.00 H new ATOM 501 N VAL A 32 4.184 -8.490 0.650 1.00 0.00 N ATOM 502 CA VAL A 32 3.338 -8.068 -0.454 1.00 0.00 C ATOM 503 C VAL A 32 2.222 -7.168 0.081 1.00 0.00 C ATOM 504 O VAL A 32 1.585 -7.491 1.082 1.00 0.00 O ATOM 505 CB VAL A 32 2.811 -9.291 -1.208 1.00 0.00 C ATOM 506 CG1 VAL A 32 1.983 -8.870 -2.423 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.958 -10.216 -1.619 1.00 0.00 C ATOM 0 H VAL A 32 3.813 -9.264 1.200 1.00 0.00 H new ATOM 0 HA VAL A 32 3.911 -7.483 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 32 2.158 -9.846 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.620 -9.758 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.135 -8.269 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.603 -8.282 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.557 -11.077 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.647 -9.675 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.488 -10.555 -0.729 1.00 0.00 H new ATOM 517 N PRO A 33 2.013 -6.028 -0.630 1.00 0.00 N ATOM 518 CA PRO A 33 0.984 -5.079 -0.238 1.00 0.00 C ATOM 519 C PRO A 33 -0.408 -5.600 -0.599 1.00 0.00 C ATOM 520 O PRO A 33 -0.552 -6.426 -1.499 1.00 0.00 O ATOM 521 CB PRO A 33 1.342 -3.790 -0.960 1.00 0.00 C ATOM 522 CG PRO A 33 2.281 -4.190 -2.087 1.00 0.00 C ATOM 523 CD PRO A 33 2.747 -5.612 -1.822 1.00 0.00 C ATOM 0 HA PRO A 33 0.947 -4.919 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.450 -3.300 -1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.823 -3.084 -0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.771 -4.128 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.133 -3.511 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.530 -6.264 -2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.824 -5.651 -1.658 1.00 0.00 H new ATOM 531 N VAL A 34 -1.399 -5.096 0.122 1.00 0.00 N ATOM 532 CA VAL A 34 -2.775 -5.500 -0.110 1.00 0.00 C ATOM 533 C VAL A 34 -3.538 -4.345 -0.761 1.00 0.00 C ATOM 534 O VAL A 34 -4.030 -4.474 -1.881 1.00 0.00 O ATOM 535 CB VAL A 34 -3.410 -5.973 1.199 1.00 0.00 C ATOM 536 CG1 VAL A 34 -4.820 -6.516 0.960 1.00 0.00 C ATOM 537 CG2 VAL A 34 -2.530 -7.018 1.888 1.00 0.00 C ATOM 0 H VAL A 34 -1.276 -4.411 0.868 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.814 -6.345 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.491 -5.112 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.248 -6.845 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.444 -5.731 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.773 -7.359 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.004 -7.338 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.403 -7.878 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.555 -6.584 2.109 1.00 0.00 H new ATOM 547 N LYS A 35 -3.613 -3.241 -0.031 1.00 0.00 N ATOM 548 CA LYS A 35 -4.308 -2.064 -0.524 1.00 0.00 C ATOM 549 C LYS A 35 -3.331 -0.888 -0.583 1.00 0.00 C ATOM 550 O LYS A 35 -2.303 -0.896 0.091 1.00 0.00 O ATOM 551 CB LYS A 35 -5.554 -1.786 0.319 1.00 0.00 C ATOM 552 CG LYS A 35 -6.577 -2.915 0.176 1.00 0.00 C ATOM 553 CD LYS A 35 -7.224 -3.242 1.523 1.00 0.00 C ATOM 554 CE LYS A 35 -8.422 -4.178 1.343 1.00 0.00 C ATOM 555 NZ LYS A 35 -9.077 -4.438 2.644 1.00 0.00 N ATOM 0 H LYS A 35 -3.204 -3.137 0.898 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.668 -2.231 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.272 -1.677 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.003 -0.842 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.346 -2.625 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.089 -3.804 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.489 -3.708 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.547 -2.321 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.138 -3.733 0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.093 -5.118 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.887 -5.075 2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.396 -4.882 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.408 -3.540 3.051 1.00 0.00 H new ATOM 569 N ARG A 36 -3.687 0.095 -1.398 1.00 0.00 N ATOM 570 CA ARG A 36 -2.854 1.275 -1.554 1.00 0.00 C ATOM 571 C ARG A 36 -3.704 2.469 -1.995 1.00 0.00 C ATOM 572 O ARG A 36 -4.444 2.381 -2.974 1.00 0.00 O ATOM 573 CB ARG A 36 -1.749 1.036 -2.585 1.00 0.00 C ATOM 574 CG ARG A 36 -1.127 -0.351 -2.410 1.00 0.00 C ATOM 575 CD ARG A 36 -0.096 -0.631 -3.506 1.00 0.00 C ATOM 576 NE ARG A 36 -0.171 -2.050 -3.920 1.00 0.00 N ATOM 577 CZ ARG A 36 -0.982 -2.510 -4.882 1.00 0.00 C ATOM 578 NH1 ARG A 36 -1.792 -1.666 -5.536 1.00 0.00 N ATOM 579 NH2 ARG A 36 -0.983 -3.813 -5.192 1.00 0.00 N ATOM 0 H ARG A 36 -4.540 0.098 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.395 1.488 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.158 1.131 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.978 1.800 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.651 -0.419 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.908 -1.110 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.279 0.017 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.906 -0.402 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 36 0.433 -2.720 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.791 -0.673 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.409 -2.016 -6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.366 -4.456 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.601 -4.162 -5.925 1.00 0.00 H new ATOM 593 N GLY A 37 -3.568 3.557 -1.252 1.00 0.00 N ATOM 594 CA GLY A 37 -4.314 4.767 -1.554 1.00 0.00 C ATOM 595 C GLY A 37 -3.648 5.993 -0.926 1.00 0.00 C ATOM 596 O GLY A 37 -2.546 5.897 -0.387 1.00 0.00 O ATOM 0 H GLY A 37 -2.953 3.626 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.380 4.898 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.334 4.672 -1.182 1.00 0.00 H new ATOM 600 N CYS A 38 -4.343 7.117 -1.018 1.00 0.00 N ATOM 601 CA CYS A 38 -3.833 8.360 -0.466 1.00 0.00 C ATOM 602 C CYS A 38 -4.554 8.631 0.856 1.00 0.00 C ATOM 603 O CYS A 38 -5.590 8.030 1.137 1.00 0.00 O ATOM 604 CB CYS A 38 -3.988 9.522 -1.449 1.00 0.00 C ATOM 605 SG CYS A 38 -2.760 9.547 -2.807 1.00 0.00 S ATOM 0 H CYS A 38 -5.256 7.193 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.763 8.266 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.987 9.482 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.917 10.459 -0.897 1.00 0.00 H new ATOM 610 N ILE A 39 -3.979 9.538 1.632 1.00 0.00 N ATOM 611 CA ILE A 39 -4.554 9.896 2.918 1.00 0.00 C ATOM 612 C ILE A 39 -3.987 11.244 3.368 1.00 0.00 C ATOM 613 O ILE A 39 -2.993 11.717 2.820 1.00 0.00 O ATOM 614 CB ILE A 39 -4.343 8.770 3.932 1.00 0.00 C ATOM 615 CG1 ILE A 39 -5.432 8.787 5.006 1.00 0.00 C ATOM 616 CG2 ILE A 39 -2.939 8.836 4.539 1.00 0.00 C ATOM 617 CD1 ILE A 39 -5.733 7.373 5.504 1.00 0.00 C ATOM 0 H ILE A 39 -3.121 10.036 1.395 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.634 10.017 2.832 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.424 7.818 3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.114 9.411 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.340 9.235 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.814 8.025 5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.196 8.738 3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.806 9.792 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.511 7.414 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.074 6.759 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.829 6.937 5.930 1.00 0.00 H new ATOM 629 N ASP A 40 -4.644 11.824 4.361 1.00 0.00 N ATOM 630 CA ASP A 40 -4.218 13.108 4.891 1.00 0.00 C ATOM 631 C ASP A 40 -3.564 12.899 6.258 1.00 0.00 C ATOM 632 O ASP A 40 -2.423 13.307 6.473 1.00 0.00 O ATOM 633 CB ASP A 40 -5.409 14.051 5.076 1.00 0.00 C ATOM 634 CG ASP A 40 -6.620 13.432 5.779 1.00 0.00 C ATOM 635 OD1 ASP A 40 -7.295 12.607 5.126 1.00 0.00 O ATOM 636 OD2 ASP A 40 -6.843 13.799 6.953 1.00 0.00 O ATOM 0 H ASP A 40 -5.469 11.428 4.813 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.516 13.548 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.081 14.919 5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.722 14.413 4.097 1.00 0.00 H new ATOM 641 N VAL A 41 -4.314 12.265 7.147 1.00 0.00 N ATOM 642 CA VAL A 41 -3.821 11.997 8.487 1.00 0.00 C ATOM 643 C VAL A 41 -3.520 10.503 8.626 1.00 0.00 C ATOM 644 O VAL A 41 -4.303 9.665 8.181 1.00 0.00 O ATOM 645 CB VAL A 41 -4.824 12.504 9.525 1.00 0.00 C ATOM 646 CG1 VAL A 41 -6.022 11.558 9.637 1.00 0.00 C ATOM 647 CG2 VAL A 41 -4.153 12.703 10.885 1.00 0.00 C ATOM 0 H VAL A 41 -5.260 11.929 6.965 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.890 12.534 8.666 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.193 13.473 9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.720 11.941 10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.523 11.489 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.677 10.569 9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.888 13.064 11.604 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.743 11.754 11.231 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.349 13.433 10.791 1.00 0.00 H new ATOM 657 N CYS A 42 -2.385 10.216 9.245 1.00 0.00 N ATOM 658 CA CYS A 42 -1.971 8.838 9.449 1.00 0.00 C ATOM 659 C CYS A 42 -2.810 8.247 10.583 1.00 0.00 C ATOM 660 O CYS A 42 -2.704 8.680 11.730 1.00 0.00 O ATOM 661 CB CYS A 42 -0.472 8.733 9.734 1.00 0.00 C ATOM 662 SG CYS A 42 0.241 7.066 9.490 1.00 0.00 S ATOM 0 H CYS A 42 -1.739 10.914 9.612 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.141 8.267 8.537 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.056 9.436 9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.289 9.044 10.763 1.00 0.00 H new ATOM 667 N PRO A 43 -3.647 7.240 10.215 1.00 0.00 N ATOM 668 CA PRO A 43 -4.504 6.585 11.189 1.00 0.00 C ATOM 669 C PRO A 43 -3.698 5.636 12.078 1.00 0.00 C ATOM 670 O PRO A 43 -2.478 5.545 11.950 1.00 0.00 O ATOM 671 CB PRO A 43 -5.563 5.871 10.365 1.00 0.00 C ATOM 672 CG PRO A 43 -4.995 5.766 8.959 1.00 0.00 C ATOM 673 CD PRO A 43 -3.800 6.700 8.867 1.00 0.00 C ATOM 0 HA PRO A 43 -4.965 7.288 11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.777 4.884 10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.500 6.427 10.367 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.695 4.740 8.744 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.750 6.038 8.221 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.904 6.166 8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.973 7.493 8.140 1.00 0.00 H new ATOM 681 N LYS A 44 -4.412 4.953 12.961 1.00 0.00 N ATOM 682 CA LYS A 44 -3.779 4.014 13.871 1.00 0.00 C ATOM 683 C LYS A 44 -3.735 2.630 13.221 1.00 0.00 C ATOM 684 O LYS A 44 -4.387 2.397 12.204 1.00 0.00 O ATOM 685 CB LYS A 44 -4.478 4.033 15.232 1.00 0.00 C ATOM 686 CG LYS A 44 -3.538 3.548 16.338 1.00 0.00 C ATOM 687 CD LYS A 44 -3.957 4.110 17.698 1.00 0.00 C ATOM 688 CE LYS A 44 -5.299 3.526 18.143 1.00 0.00 C ATOM 689 NZ LYS A 44 -5.629 3.973 19.515 1.00 0.00 N ATOM 0 H LYS A 44 -5.424 5.032 13.065 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.747 4.308 14.064 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.818 5.044 15.456 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.364 3.399 15.199 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.543 2.459 16.373 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.517 3.855 16.113 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.193 3.882 18.441 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.030 5.196 17.640 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.084 3.837 17.454 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.258 2.437 18.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.543 3.568 19.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.888 3.655 20.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.689 5.011 19.537 1.00 0.00 H new ATOM 703 N SER A 45 -2.960 1.748 13.834 1.00 0.00 N ATOM 704 CA SER A 45 -2.823 0.393 13.327 1.00 0.00 C ATOM 705 C SER A 45 -3.597 -0.580 14.219 1.00 0.00 C ATOM 706 O SER A 45 -4.010 -0.223 15.321 1.00 0.00 O ATOM 707 CB SER A 45 -1.351 -0.018 13.245 1.00 0.00 C ATOM 708 OG SER A 45 -0.742 0.418 12.033 1.00 0.00 O ATOM 0 H SER A 45 -2.420 1.945 14.677 1.00 0.00 H new ATOM 0 HA SER A 45 -3.238 0.361 12.320 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.810 0.401 14.094 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.273 -1.103 13.320 1.00 0.00 H new ATOM 0 HG SER A 45 0.197 0.138 12.020 1.00 0.00 H new ATOM 714 N SER A 46 -3.769 -1.791 13.709 1.00 0.00 N ATOM 715 CA SER A 46 -4.486 -2.818 14.446 1.00 0.00 C ATOM 716 C SER A 46 -3.649 -4.097 14.508 1.00 0.00 C ATOM 717 O SER A 46 -2.531 -4.137 13.998 1.00 0.00 O ATOM 718 CB SER A 46 -5.847 -3.105 13.808 1.00 0.00 C ATOM 719 OG SER A 46 -5.718 -3.735 12.536 1.00 0.00 O ATOM 0 H SER A 46 -3.424 -2.084 12.795 1.00 0.00 H new ATOM 0 HA SER A 46 -4.659 -2.455 15.459 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.431 -3.743 14.471 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.399 -2.172 13.696 1.00 0.00 H new ATOM 0 HG SER A 46 -4.924 -3.388 12.078 1.00 0.00 H new ATOM 725 N LEU A 47 -4.223 -5.112 15.139 1.00 0.00 N ATOM 726 CA LEU A 47 -3.544 -6.389 15.275 1.00 0.00 C ATOM 727 C LEU A 47 -3.797 -7.232 14.024 1.00 0.00 C ATOM 728 O LEU A 47 -3.064 -8.182 13.752 1.00 0.00 O ATOM 729 CB LEU A 47 -3.957 -7.080 16.576 1.00 0.00 C ATOM 730 CG LEU A 47 -3.753 -6.271 17.859 1.00 0.00 C ATOM 731 CD1 LEU A 47 -4.335 -7.005 19.068 1.00 0.00 C ATOM 732 CD2 LEU A 47 -2.277 -5.921 18.057 1.00 0.00 C ATOM 0 H LEU A 47 -5.151 -5.075 15.561 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.467 -6.241 15.348 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.011 -7.348 16.503 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.396 -8.011 16.664 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.297 -5.331 17.761 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.177 -6.409 19.967 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.404 -7.161 18.919 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.840 -7.970 19.181 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.159 -5.346 18.976 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.692 -6.838 18.125 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.927 -5.329 17.211 1.00 0.00 H new ATOM 744 N LEU A 48 -4.837 -6.854 13.295 1.00 0.00 N ATOM 745 CA LEU A 48 -5.196 -7.564 12.079 1.00 0.00 C ATOM 746 C LEU A 48 -4.483 -6.920 10.888 1.00 0.00 C ATOM 747 O LEU A 48 -3.651 -7.555 10.241 1.00 0.00 O ATOM 748 CB LEU A 48 -6.717 -7.626 11.924 1.00 0.00 C ATOM 749 CG LEU A 48 -7.237 -8.387 10.703 1.00 0.00 C ATOM 750 CD1 LEU A 48 -6.935 -9.883 10.820 1.00 0.00 C ATOM 751 CD2 LEU A 48 -8.727 -8.119 10.482 1.00 0.00 C ATOM 0 H LEU A 48 -5.442 -6.065 13.523 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.861 -8.600 12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.135 -8.086 12.819 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.100 -6.606 11.882 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.710 -8.019 9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.315 -10.401 9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.858 -10.032 10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.417 -10.283 11.712 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.070 -8.672 9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.289 -8.441 11.359 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.885 -7.053 10.322 1.00 0.00 H new ATOM 763 N VAL A 49 -4.834 -5.668 10.635 1.00 0.00 N ATOM 764 CA VAL A 49 -4.238 -4.932 9.534 1.00 0.00 C ATOM 765 C VAL A 49 -3.266 -3.889 10.090 1.00 0.00 C ATOM 766 O VAL A 49 -3.431 -3.419 11.215 1.00 0.00 O ATOM 767 CB VAL A 49 -5.334 -4.320 8.659 1.00 0.00 C ATOM 768 CG1 VAL A 49 -6.340 -5.385 8.216 1.00 0.00 C ATOM 769 CG2 VAL A 49 -6.036 -3.170 9.383 1.00 0.00 C ATOM 0 H VAL A 49 -5.524 -5.145 11.174 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.665 -5.602 8.893 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.861 -3.913 7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.108 -4.924 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.825 -6.156 7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.804 -5.835 9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.810 -2.753 8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.490 -3.541 10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.309 -2.395 9.625 1.00 0.00 H new ATOM 779 N LYS A 50 -2.274 -3.558 9.276 1.00 0.00 N ATOM 780 CA LYS A 50 -1.275 -2.580 9.673 1.00 0.00 C ATOM 781 C LYS A 50 -1.204 -1.474 8.618 1.00 0.00 C ATOM 782 O LYS A 50 -0.891 -1.737 7.458 1.00 0.00 O ATOM 783 CB LYS A 50 0.067 -3.263 9.940 1.00 0.00 C ATOM 784 CG LYS A 50 1.043 -2.305 10.625 1.00 0.00 C ATOM 785 CD LYS A 50 2.454 -2.896 10.669 1.00 0.00 C ATOM 786 CE LYS A 50 2.530 -4.060 11.660 1.00 0.00 C ATOM 787 NZ LYS A 50 3.931 -4.503 11.832 1.00 0.00 N ATOM 0 H LYS A 50 -2.141 -3.950 8.344 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.557 -2.107 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.086 -4.141 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.494 -3.613 9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.060 -1.355 10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.701 -2.096 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.739 -3.241 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.167 -2.123 10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.118 -3.754 12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.921 -4.890 11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.965 -5.293 12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.312 -4.814 10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.503 -3.713 12.194 1.00 0.00 H new ATOM 801 N TYR A 51 -1.499 -0.260 9.059 1.00 0.00 N ATOM 802 CA TYR A 51 -1.472 0.887 8.167 1.00 0.00 C ATOM 803 C TYR A 51 -0.204 1.716 8.379 1.00 0.00 C ATOM 804 O TYR A 51 -0.037 2.346 9.422 1.00 0.00 O ATOM 805 CB TYR A 51 -2.690 1.736 8.535 1.00 0.00 C ATOM 806 CG TYR A 51 -3.958 1.376 7.759 1.00 0.00 C ATOM 807 CD1 TYR A 51 -4.077 1.727 6.430 1.00 0.00 C ATOM 808 CD2 TYR A 51 -4.984 0.699 8.388 1.00 0.00 C ATOM 809 CE1 TYR A 51 -5.270 1.388 5.699 1.00 0.00 C ATOM 810 CE2 TYR A 51 -6.177 0.359 7.657 1.00 0.00 C ATOM 811 CZ TYR A 51 -6.262 0.721 6.349 1.00 0.00 C ATOM 812 OH TYR A 51 -7.389 0.400 5.658 1.00 0.00 O ATOM 0 H TYR A 51 -1.758 -0.046 10.022 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.487 0.564 7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.886 1.628 9.602 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.455 2.786 8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.275 2.256 5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.892 0.424 9.428 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.375 1.657 4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.986 -0.172 8.137 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.307 -0.510 5.303 1.00 0.00 H new ATOM 822 N VAL A 52 0.657 1.690 7.372 1.00 0.00 N ATOM 823 CA VAL A 52 1.905 2.431 7.435 1.00 0.00 C ATOM 824 C VAL A 52 1.862 3.579 6.424 1.00 0.00 C ATOM 825 O VAL A 52 1.495 3.380 5.267 1.00 0.00 O ATOM 826 CB VAL A 52 3.087 1.485 7.215 1.00 0.00 C ATOM 827 CG1 VAL A 52 4.411 2.252 7.224 1.00 0.00 C ATOM 828 CG2 VAL A 52 3.095 0.366 8.258 1.00 0.00 C ATOM 0 H VAL A 52 0.515 1.167 6.508 1.00 0.00 H new ATOM 0 HA VAL A 52 2.038 2.872 8.423 1.00 0.00 H new ATOM 0 HB VAL A 52 2.971 1.027 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.235 1.557 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.406 2.996 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.536 2.750 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.945 -0.292 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.175 0.799 9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.171 -0.207 8.184 1.00 0.00 H new ATOM 838 N CYS A 53 2.242 4.757 6.899 1.00 0.00 N ATOM 839 CA CYS A 53 2.251 5.937 6.051 1.00 0.00 C ATOM 840 C CYS A 53 3.706 6.291 5.736 1.00 0.00 C ATOM 841 O CYS A 53 4.605 5.993 6.522 1.00 0.00 O ATOM 842 CB CYS A 53 1.507 7.106 6.701 1.00 0.00 C ATOM 843 SG CYS A 53 -0.062 6.654 7.526 1.00 0.00 S ATOM 0 H CYS A 53 2.545 4.919 7.859 1.00 0.00 H new ATOM 0 HA CYS A 53 1.720 5.725 5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.164 7.574 7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.297 7.854 5.937 1.00 0.00 H new ATOM 848 N CYS A 54 3.893 6.921 4.586 1.00 0.00 N ATOM 849 CA CYS A 54 5.223 7.318 4.158 1.00 0.00 C ATOM 850 C CYS A 54 5.104 8.624 3.369 1.00 0.00 C ATOM 851 O CYS A 54 4.152 8.813 2.615 1.00 0.00 O ATOM 852 CB CYS A 54 5.907 6.219 3.342 1.00 0.00 C ATOM 853 SG CYS A 54 4.788 5.263 2.253 1.00 0.00 S ATOM 0 H CYS A 54 3.145 7.166 3.937 1.00 0.00 H new ATOM 0 HA CYS A 54 5.856 7.478 5.031 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.687 6.672 2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.400 5.530 4.028 1.00 0.00 H new ATOM 858 N ASN A 55 6.085 9.491 3.571 1.00 0.00 N ATOM 859 CA ASN A 55 6.103 10.774 2.889 1.00 0.00 C ATOM 860 C ASN A 55 7.120 10.725 1.747 1.00 0.00 C ATOM 861 O ASN A 55 7.951 11.622 1.613 1.00 0.00 O ATOM 862 CB ASN A 55 6.514 11.899 3.841 1.00 0.00 C ATOM 863 CG ASN A 55 7.838 11.573 4.535 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.914 11.891 4.057 1.00 0.00 O ATOM 865 ND2 ASN A 55 7.698 10.922 5.687 1.00 0.00 N ATOM 0 H ASN A 55 6.874 9.330 4.198 1.00 0.00 H new ATOM 0 HA ASN A 55 5.099 10.970 2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.610 12.833 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.735 12.051 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.522 10.659 6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.767 10.686 6.030 1.00 0.00 H new ATOM 872 N THR A 56 7.019 9.670 0.952 1.00 0.00 N ATOM 873 CA THR A 56 7.920 9.493 -0.174 1.00 0.00 C ATOM 874 C THR A 56 7.136 9.103 -1.428 1.00 0.00 C ATOM 875 O THR A 56 6.121 8.413 -1.340 1.00 0.00 O ATOM 876 CB THR A 56 8.979 8.463 0.225 1.00 0.00 C ATOM 877 OG1 THR A 56 8.307 7.615 1.151 1.00 0.00 O ATOM 878 CG2 THR A 56 10.117 9.080 1.042 1.00 0.00 C ATOM 0 H THR A 56 6.327 8.929 1.065 1.00 0.00 H new ATOM 0 HA THR A 56 8.429 10.424 -0.423 1.00 0.00 H new ATOM 0 HB THR A 56 9.387 7.996 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.921 6.916 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.841 8.307 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.608 9.856 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.714 9.518 1.955 1.00 0.00 H new ATOM 886 N ASP A 57 7.635 9.561 -2.567 1.00 0.00 N ATOM 887 CA ASP A 57 6.994 9.268 -3.837 1.00 0.00 C ATOM 888 C ASP A 57 7.057 7.762 -4.101 1.00 0.00 C ATOM 889 O ASP A 57 8.065 7.119 -3.810 1.00 0.00 O ATOM 890 CB ASP A 57 7.705 9.980 -4.990 1.00 0.00 C ATOM 891 CG ASP A 57 7.593 11.506 -4.975 1.00 0.00 C ATOM 892 OD1 ASP A 57 6.533 12.002 -5.415 1.00 0.00 O ATOM 893 OD2 ASP A 57 8.570 12.142 -4.523 1.00 0.00 O ATOM 0 H ASP A 57 8.476 10.133 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 57 5.962 9.614 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.760 9.708 -4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.299 9.610 -5.931 1.00 0.00 H new ATOM 898 N LYS A 58 5.968 7.243 -4.648 1.00 0.00 N ATOM 899 CA LYS A 58 5.887 5.825 -4.954 1.00 0.00 C ATOM 900 C LYS A 58 6.490 5.023 -3.798 1.00 0.00 C ATOM 901 O LYS A 58 7.420 4.244 -3.998 1.00 0.00 O ATOM 902 CB LYS A 58 6.534 5.532 -6.309 1.00 0.00 C ATOM 903 CG LYS A 58 5.810 6.275 -7.434 1.00 0.00 C ATOM 904 CD LYS A 58 6.339 5.845 -8.804 1.00 0.00 C ATOM 905 CE LYS A 58 7.765 6.354 -9.025 1.00 0.00 C ATOM 906 NZ LYS A 58 8.732 5.236 -8.945 1.00 0.00 N ATOM 0 H LYS A 58 5.134 7.779 -4.887 1.00 0.00 H new ATOM 0 HA LYS A 58 4.847 5.514 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.582 5.830 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.511 4.460 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.740 6.078 -7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.943 7.350 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.321 4.758 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.686 6.230 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.838 6.837 -9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.009 7.108 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.695 5.598 -9.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.673 4.793 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.508 4.530 -9.676 1.00 0.00 H new ATOM 920 N CYS A 59 5.936 5.243 -2.615 1.00 0.00 N ATOM 921 CA CYS A 59 6.407 4.550 -1.428 1.00 0.00 C ATOM 922 C CYS A 59 5.453 3.390 -1.138 1.00 0.00 C ATOM 923 O CYS A 59 5.892 2.273 -0.870 1.00 0.00 O ATOM 924 CB CYS A 59 6.534 5.498 -0.233 1.00 0.00 C ATOM 925 SG CYS A 59 4.943 6.113 0.430 1.00 0.00 S ATOM 0 H CYS A 59 5.165 5.891 -2.453 1.00 0.00 H new ATOM 0 HA CYS A 59 7.409 4.159 -1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.070 4.984 0.565 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.143 6.352 -0.528 1.00 0.00 H new ATOM 930 N ASN A 60 4.165 3.695 -1.200 1.00 0.00 N ATOM 931 CA ASN A 60 3.145 2.692 -0.947 1.00 0.00 C ATOM 932 C ASN A 60 2.961 1.832 -2.199 1.00 0.00 C ATOM 933 O ASN A 60 3.679 2.000 -3.184 1.00 0.00 O ATOM 934 CB ASN A 60 1.801 3.343 -0.619 1.00 0.00 C ATOM 935 CG ASN A 60 1.205 4.023 -1.854 1.00 0.00 C ATOM 936 OD1 ASN A 60 1.864 4.230 -2.859 1.00 0.00 O ATOM 937 ND2 ASN A 60 -0.076 4.356 -1.722 1.00 0.00 N ATOM 0 H ASN A 60 3.805 4.623 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 60 3.469 2.088 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.109 2.588 -0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.933 4.076 0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.566 4.814 -2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.569 4.153 -0.852 1.00 0.00 H new TER 944 ASN A 60 HETATM 945 O HOH A 61 -0.793 -8.596 3.032 1.00 0.00 O HETATM 948 O HOH A 62 5.450 -13.423 4.380 1.00 0.00 O