USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 435 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 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+ 180:sc= 0 (180deg=0) 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 -80:sc= -1.18 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) 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 -125:sc= -0.0734 (180deg=-0.67) 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= -0.325 USER MOD Single : A 46 SER OG : rot -42:sc= 1.37 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -2.06 USER MOD Single : A 55 ASN : amide:sc= -0.789 K(o=-0.79,f=-1.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.45 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.6 K(o=-1.6,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -11.861 4.441 -1.472 1.00 0.00 N ATOM 19 CA LYS A 2 -12.308 3.180 -0.904 1.00 0.00 C ATOM 20 C LYS A 2 -11.317 2.077 -1.281 1.00 0.00 C ATOM 21 O LYS A 2 -11.218 1.698 -2.447 1.00 0.00 O ATOM 22 CB LYS A 2 -13.748 2.883 -1.326 1.00 0.00 C ATOM 23 CG LYS A 2 -14.548 2.289 -0.165 1.00 0.00 C ATOM 24 CD LYS A 2 -15.979 1.963 -0.595 1.00 0.00 C ATOM 25 CE LYS A 2 -16.166 0.455 -0.780 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.368 -0.011 -0.054 1.00 0.00 N ATOM 0 HA LYS A 2 -12.325 3.237 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.226 3.800 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.749 2.188 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.057 1.384 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.566 2.993 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.680 2.331 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.209 2.479 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.261 0.222 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.286 -0.074 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.480 -1.036 -0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.262 0.194 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.208 0.481 -0.421 1.00 0.00 H new ATOM 39 N CYS A 3 -10.609 1.592 -0.272 1.00 0.00 N ATOM 40 CA CYS A 3 -9.629 0.540 -0.482 1.00 0.00 C ATOM 41 C CYS A 3 -9.916 -0.589 0.510 1.00 0.00 C ATOM 42 O CYS A 3 -10.878 -0.519 1.274 1.00 0.00 O ATOM 43 CB CYS A 3 -8.198 1.065 -0.350 1.00 0.00 C ATOM 44 SG CYS A 3 -7.559 1.930 -1.831 1.00 0.00 S ATOM 0 H CYS A 3 -10.694 1.908 0.694 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.714 0.159 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.153 1.747 0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.538 0.228 -0.122 1.00 0.00 H new ATOM 49 N LYS A 4 -9.065 -1.603 0.466 1.00 0.00 N ATOM 50 CA LYS A 4 -9.215 -2.745 1.351 1.00 0.00 C ATOM 51 C LYS A 4 -8.389 -2.515 2.618 1.00 0.00 C ATOM 52 O LYS A 4 -7.382 -1.810 2.588 1.00 0.00 O ATOM 53 CB LYS A 4 -8.867 -4.042 0.617 1.00 0.00 C ATOM 54 CG LYS A 4 -9.954 -4.408 -0.396 1.00 0.00 C ATOM 55 CD LYS A 4 -10.620 -5.736 -0.030 1.00 0.00 C ATOM 56 CE LYS A 4 -11.656 -6.137 -1.081 1.00 0.00 C ATOM 57 NZ LYS A 4 -12.878 -6.661 -0.431 1.00 0.00 N ATOM 0 H LYS A 4 -8.269 -1.657 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.254 -2.851 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.911 -3.929 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.749 -4.851 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.704 -3.618 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.518 -4.478 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.863 -6.515 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.100 -5.650 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.907 -5.276 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.236 -6.894 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.571 -6.929 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.637 -7.496 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.286 -5.928 0.183 1.00 0.00 H new ATOM 70 N LYS A 5 -8.846 -3.124 3.703 1.00 0.00 N ATOM 71 CA LYS A 5 -8.162 -2.995 4.978 1.00 0.00 C ATOM 72 C LYS A 5 -7.059 -4.050 5.069 1.00 0.00 C ATOM 73 O LYS A 5 -6.759 -4.727 4.087 1.00 0.00 O ATOM 74 CB LYS A 5 -9.165 -3.052 6.132 1.00 0.00 C ATOM 75 CG LYS A 5 -9.759 -1.670 6.411 1.00 0.00 C ATOM 76 CD LYS A 5 -10.413 -1.623 7.794 1.00 0.00 C ATOM 77 CE LYS A 5 -9.597 -0.760 8.758 1.00 0.00 C ATOM 78 NZ LYS A 5 -9.166 -1.557 9.928 1.00 0.00 N ATOM 0 H LYS A 5 -9.682 -3.708 3.725 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.679 -2.021 5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.964 -3.753 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.672 -3.428 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.976 -0.914 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.497 -1.427 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.423 -1.223 7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.503 -2.634 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.725 -0.356 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.194 0.090 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.613 -0.956 10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.003 -1.922 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.579 -2.354 9.608 1.00 0.00 H new ATOM 91 N LEU A 6 -6.484 -4.158 6.258 1.00 0.00 N ATOM 92 CA LEU A 6 -5.420 -5.120 6.491 1.00 0.00 C ATOM 93 C LEU A 6 -5.815 -6.468 5.885 1.00 0.00 C ATOM 94 O LEU A 6 -5.188 -6.934 4.936 1.00 0.00 O ATOM 95 CB LEU A 6 -5.078 -5.191 7.981 1.00 0.00 C ATOM 96 CG LEU A 6 -4.052 -4.173 8.483 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.741 -2.901 8.981 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.146 -4.789 9.551 1.00 0.00 C ATOM 0 H LEU A 6 -6.735 -3.595 7.071 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.504 -4.803 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.998 -5.061 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.705 -6.191 8.201 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.415 -3.888 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.990 -2.194 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.309 -2.452 8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.416 -3.150 9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.426 -4.045 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.751 -5.120 10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.614 -5.642 9.129 1.00 0.00 H new ATOM 108 N VAL A 7 -6.854 -7.056 6.460 1.00 0.00 N ATOM 109 CA VAL A 7 -7.341 -8.342 5.989 1.00 0.00 C ATOM 110 C VAL A 7 -8.309 -8.120 4.825 1.00 0.00 C ATOM 111 O VAL A 7 -9.181 -7.255 4.894 1.00 0.00 O ATOM 112 CB VAL A 7 -7.967 -9.121 7.147 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.531 -10.460 6.666 1.00 0.00 C ATOM 114 CG2 VAL A 7 -6.958 -9.325 8.279 1.00 0.00 C ATOM 0 H VAL A 7 -7.372 -6.666 7.247 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.516 -8.949 5.615 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.795 -8.531 7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.970 -10.994 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.296 -10.282 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.729 -11.059 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.428 -9.881 9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.100 -9.884 7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.626 -8.355 8.649 1.00 0.00 H new ATOM 122 N PRO A 8 -8.118 -8.937 3.755 1.00 0.00 N ATOM 123 CA PRO A 8 -8.964 -8.839 2.578 1.00 0.00 C ATOM 124 C PRO A 8 -10.343 -9.448 2.841 1.00 0.00 C ATOM 125 O PRO A 8 -10.790 -10.325 2.102 1.00 0.00 O ATOM 126 CB PRO A 8 -8.197 -9.558 1.480 1.00 0.00 C ATOM 127 CG PRO A 8 -7.173 -10.430 2.190 1.00 0.00 C ATOM 128 CD PRO A 8 -7.096 -9.973 3.638 1.00 0.00 C ATOM 0 HA PRO A 8 -9.168 -7.807 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.866 -10.162 0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.709 -8.846 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.462 -11.480 2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.198 -10.343 1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.288 -10.798 4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.107 -9.582 3.878 1.00 0.00 H new ATOM 136 N LEU A 9 -10.979 -8.960 3.896 1.00 0.00 N ATOM 137 CA LEU A 9 -12.297 -9.446 4.266 1.00 0.00 C ATOM 138 C LEU A 9 -13.309 -8.304 4.143 1.00 0.00 C ATOM 139 O LEU A 9 -14.457 -8.526 3.760 1.00 0.00 O ATOM 140 CB LEU A 9 -12.262 -10.089 5.653 1.00 0.00 C ATOM 141 CG LEU A 9 -11.731 -11.523 5.714 1.00 0.00 C ATOM 142 CD1 LEU A 9 -11.393 -11.923 7.151 1.00 0.00 C ATOM 143 CD2 LEU A 9 -12.714 -12.499 5.064 1.00 0.00 C ATOM 0 H LEU A 9 -10.606 -8.233 4.506 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.618 -10.233 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.648 -9.467 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.272 -10.079 6.062 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.805 -11.568 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.018 -12.946 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.630 -11.252 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.289 -11.856 7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.313 -13.511 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.669 -12.457 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.862 -12.225 4.019 1.00 0.00 H new ATOM 153 N PHE A 10 -12.847 -7.108 4.476 1.00 0.00 N ATOM 154 CA PHE A 10 -13.697 -5.932 4.408 1.00 0.00 C ATOM 155 C PHE A 10 -12.936 -4.738 3.829 1.00 0.00 C ATOM 156 O PHE A 10 -11.708 -4.756 3.756 1.00 0.00 O ATOM 157 CB PHE A 10 -14.122 -5.604 5.841 1.00 0.00 C ATOM 158 CG PHE A 10 -14.509 -6.829 6.671 1.00 0.00 C ATOM 159 CD1 PHE A 10 -15.793 -7.278 6.663 1.00 0.00 C ATOM 160 CD2 PHE A 10 -13.570 -7.469 7.418 1.00 0.00 C ATOM 161 CE1 PHE A 10 -16.153 -8.415 7.434 1.00 0.00 C ATOM 162 CE2 PHE A 10 -13.930 -8.607 8.188 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.214 -9.055 8.180 1.00 0.00 C ATOM 0 H PHE A 10 -11.895 -6.928 4.794 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.554 -6.129 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.306 -5.082 6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.968 -4.917 5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.539 -6.770 6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.551 -7.112 7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -17.173 -8.771 7.428 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.184 -9.117 8.780 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.488 -9.920 8.767 1.00 0.00 H new ATOM 173 N SER A 11 -13.697 -3.729 3.431 1.00 0.00 N ATOM 174 CA SER A 11 -13.110 -2.529 2.859 1.00 0.00 C ATOM 175 C SER A 11 -13.576 -1.297 3.637 1.00 0.00 C ATOM 176 O SER A 11 -14.660 -1.299 4.218 1.00 0.00 O ATOM 177 CB SER A 11 -13.470 -2.390 1.379 1.00 0.00 C ATOM 178 OG SER A 11 -14.856 -2.623 1.143 1.00 0.00 O ATOM 0 H SER A 11 -14.715 -3.718 3.493 1.00 0.00 H new ATOM 0 HA SER A 11 -12.026 -2.610 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.206 -1.390 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.879 -3.095 0.794 1.00 0.00 H new ATOM 0 HG SER A 11 -15.046 -2.523 0.187 1.00 0.00 H new ATOM 184 N LYS A 12 -12.734 -0.274 3.624 1.00 0.00 N ATOM 185 CA LYS A 12 -13.046 0.962 4.320 1.00 0.00 C ATOM 186 C LYS A 12 -12.603 2.151 3.465 1.00 0.00 C ATOM 187 O LYS A 12 -12.110 1.970 2.353 1.00 0.00 O ATOM 188 CB LYS A 12 -12.438 0.954 5.724 1.00 0.00 C ATOM 189 CG LYS A 12 -13.489 0.588 6.775 1.00 0.00 C ATOM 190 CD LYS A 12 -13.762 1.766 7.711 1.00 0.00 C ATOM 191 CE LYS A 12 -13.369 1.426 9.150 1.00 0.00 C ATOM 192 NZ LYS A 12 -14.109 2.279 10.106 1.00 0.00 N ATOM 0 H LYS A 12 -11.835 -0.276 3.142 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.122 1.056 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.615 0.240 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.020 1.935 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.414 0.290 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.146 -0.269 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.203 2.639 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.819 2.029 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.580 0.376 9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.296 1.567 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.830 2.035 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.887 3.278 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.131 2.124 9.990 1.00 0.00 H new ATOM 205 N THR A 13 -12.795 3.340 4.017 1.00 0.00 N ATOM 206 CA THR A 13 -12.421 4.558 3.319 1.00 0.00 C ATOM 207 C THR A 13 -11.337 5.307 4.096 1.00 0.00 C ATOM 208 O THR A 13 -11.448 5.485 5.309 1.00 0.00 O ATOM 209 CB THR A 13 -13.689 5.384 3.096 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.383 4.683 2.068 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.396 6.754 2.481 1.00 0.00 C ATOM 0 H THR A 13 -13.205 3.486 4.940 1.00 0.00 H new ATOM 0 HA THR A 13 -11.984 4.337 2.345 1.00 0.00 H new ATOM 0 HB THR A 13 -14.207 5.517 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.993 4.909 1.198 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.330 7.299 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.741 7.318 3.145 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.908 6.622 1.515 1.00 0.00 H new ATOM 218 N CYS A 14 -10.313 5.727 3.367 1.00 0.00 N ATOM 219 CA CYS A 14 -9.210 6.453 3.973 1.00 0.00 C ATOM 220 C CYS A 14 -9.695 7.862 4.319 1.00 0.00 C ATOM 221 O CYS A 14 -10.208 8.574 3.458 1.00 0.00 O ATOM 222 CB CYS A 14 -7.981 6.479 3.062 1.00 0.00 C ATOM 223 SG CYS A 14 -7.759 4.985 2.029 1.00 0.00 S ATOM 0 H CYS A 14 -10.224 5.578 2.362 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.894 5.945 4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.049 7.349 2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.092 6.613 3.678 1.00 0.00 H new ATOM 228 N PRO A 15 -9.510 8.232 5.615 1.00 0.00 N ATOM 229 CA PRO A 15 -9.922 9.543 6.085 1.00 0.00 C ATOM 230 C PRO A 15 -8.957 10.628 5.602 1.00 0.00 C ATOM 231 O PRO A 15 -7.870 10.323 5.114 1.00 0.00 O ATOM 232 CB PRO A 15 -9.968 9.421 7.600 1.00 0.00 C ATOM 233 CG PRO A 15 -9.137 8.197 7.945 1.00 0.00 C ATOM 234 CD PRO A 15 -8.905 7.414 6.662 1.00 0.00 C ATOM 0 HA PRO A 15 -10.893 9.844 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.564 10.314 8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.994 9.309 7.952 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.186 8.494 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.653 7.580 8.681 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.842 7.259 6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.367 6.428 6.711 1.00 0.00 H new ATOM 242 N ALA A 16 -9.390 11.871 5.754 1.00 0.00 N ATOM 243 CA ALA A 16 -8.578 13.002 5.339 1.00 0.00 C ATOM 244 C ALA A 16 -7.126 12.762 5.755 1.00 0.00 C ATOM 245 O ALA A 16 -6.864 12.080 6.745 1.00 0.00 O ATOM 246 CB ALA A 16 -9.151 14.288 5.938 1.00 0.00 C ATOM 0 H ALA A 16 -10.293 12.120 6.159 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.596 13.110 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.542 15.137 5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.174 14.428 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.146 14.217 7.026 1.00 0.00 H new ATOM 251 N GLY A 17 -6.219 13.335 4.978 1.00 0.00 N ATOM 252 CA GLY A 17 -4.799 13.192 5.253 1.00 0.00 C ATOM 253 C GLY A 17 -4.210 12.004 4.489 1.00 0.00 C ATOM 254 O GLY A 17 -3.181 12.135 3.828 1.00 0.00 O ATOM 0 H GLY A 17 -6.440 13.900 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.276 14.106 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.644 13.054 6.323 1.00 0.00 H new ATOM 258 N LYS A 18 -4.888 10.871 4.606 1.00 0.00 N ATOM 259 CA LYS A 18 -4.444 9.661 3.935 1.00 0.00 C ATOM 260 C LYS A 18 -5.374 9.367 2.756 1.00 0.00 C ATOM 261 O LYS A 18 -6.440 8.781 2.933 1.00 0.00 O ATOM 262 CB LYS A 18 -4.331 8.506 4.932 1.00 0.00 C ATOM 263 CG LYS A 18 -5.330 8.673 6.080 1.00 0.00 C ATOM 264 CD LYS A 18 -5.229 7.509 7.068 1.00 0.00 C ATOM 265 CE LYS A 18 -4.125 7.758 8.097 1.00 0.00 C ATOM 266 NZ LYS A 18 -4.672 7.692 9.471 1.00 0.00 N ATOM 0 H LYS A 18 -5.741 10.766 5.155 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.443 9.797 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.513 7.561 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.317 8.463 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.140 9.613 6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.343 8.729 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.183 7.376 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.025 6.585 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.335 7.017 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.674 8.735 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.909 7.863 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.410 8.416 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.082 6.751 9.637 1.00 0.00 H new ATOM 279 N ASN A 19 -4.935 9.787 1.579 1.00 0.00 N ATOM 280 CA ASN A 19 -5.714 9.576 0.371 1.00 0.00 C ATOM 281 C ASN A 19 -4.956 8.629 -0.561 1.00 0.00 C ATOM 282 O ASN A 19 -5.269 8.537 -1.747 1.00 0.00 O ATOM 283 CB ASN A 19 -5.941 10.893 -0.375 1.00 0.00 C ATOM 284 CG ASN A 19 -7.218 11.583 0.107 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.294 11.409 -0.442 1.00 0.00 O ATOM 286 ND2 ASN A 19 -7.040 12.375 1.160 1.00 0.00 N ATOM 0 H ASN A 19 -4.049 10.273 1.436 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.677 9.155 0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.087 11.553 -0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.009 10.701 -1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.831 12.882 1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.112 12.476 1.571 1.00 0.00 H new ATOM 293 N LEU A 20 -3.973 7.949 0.010 1.00 0.00 N ATOM 294 CA LEU A 20 -3.168 7.012 -0.754 1.00 0.00 C ATOM 295 C LEU A 20 -3.221 5.637 -0.086 1.00 0.00 C ATOM 296 O LEU A 20 -3.024 5.522 1.122 1.00 0.00 O ATOM 297 CB LEU A 20 -1.748 7.552 -0.939 1.00 0.00 C ATOM 298 CG LEU A 20 -1.607 8.771 -1.852 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.590 9.765 -1.287 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.263 8.349 -3.281 1.00 0.00 C ATOM 0 H LEU A 20 -3.716 8.029 0.994 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.573 6.894 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.348 7.809 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.125 6.751 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.569 9.282 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.509 10.622 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.918 10.101 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.382 9.280 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.169 9.235 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.321 7.801 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.054 7.710 -3.672 1.00 0.00 H new ATOM 310 N CYS A 21 -3.488 4.628 -0.903 1.00 0.00 N ATOM 311 CA CYS A 21 -3.570 3.265 -0.406 1.00 0.00 C ATOM 312 C CYS A 21 -2.219 2.585 -0.644 1.00 0.00 C ATOM 313 O CYS A 21 -1.709 2.585 -1.763 1.00 0.00 O ATOM 314 CB CYS A 21 -4.719 2.493 -1.057 1.00 0.00 C ATOM 315 SG CYS A 21 -6.343 3.334 -0.988 1.00 0.00 S ATOM 0 H CYS A 21 -3.650 4.727 -1.905 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.787 3.278 0.662 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.467 2.305 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.807 1.522 -0.570 1.00 0.00 H new ATOM 320 N TYR A 22 -1.679 2.023 0.428 1.00 0.00 N ATOM 321 CA TYR A 22 -0.398 1.341 0.350 1.00 0.00 C ATOM 322 C TYR A 22 -0.556 -0.155 0.627 1.00 0.00 C ATOM 323 O TYR A 22 -1.489 -0.568 1.314 1.00 0.00 O ATOM 324 CB TYR A 22 0.476 1.961 1.441 1.00 0.00 C ATOM 325 CG TYR A 22 0.234 1.382 2.836 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.777 0.161 3.180 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.527 2.081 3.751 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.550 -0.384 4.493 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.754 1.536 5.064 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.205 0.330 5.371 1.00 0.00 C ATOM 331 OH TYR A 22 -0.420 -0.184 6.611 1.00 0.00 O ATOM 0 H TYR A 22 -2.105 2.026 1.355 1.00 0.00 H new ATOM 0 HA TYR A 22 0.035 1.449 -0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.524 1.819 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.297 3.036 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.372 -0.386 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.952 3.037 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.970 -1.338 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.347 2.073 5.789 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.975 0.435 7.130 1.00 0.00 H new ATOM 341 N LYS A 23 0.372 -0.927 0.080 1.00 0.00 N ATOM 342 CA LYS A 23 0.348 -2.368 0.261 1.00 0.00 C ATOM 343 C LYS A 23 1.775 -2.874 0.481 1.00 0.00 C ATOM 344 O LYS A 23 2.657 -2.632 -0.342 1.00 0.00 O ATOM 345 CB LYS A 23 -0.370 -3.043 -0.910 1.00 0.00 C ATOM 346 CG LYS A 23 0.481 -2.986 -2.181 1.00 0.00 C ATOM 347 CD LYS A 23 -0.212 -3.710 -3.337 1.00 0.00 C ATOM 348 CE LYS A 23 -0.231 -2.841 -4.596 1.00 0.00 C ATOM 349 NZ LYS A 23 -0.588 -3.652 -5.781 1.00 0.00 N ATOM 0 H LYS A 23 1.145 -0.581 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.225 -2.631 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.586 -4.081 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.327 -2.552 -1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.663 -1.947 -2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.453 -3.441 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.304 -4.647 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.233 -3.965 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.948 -2.030 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.747 -2.382 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.596 -3.046 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.112 -4.411 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.531 -4.069 -5.645 1.00 0.00 H new ATOM 362 N MET A 24 1.958 -3.567 1.595 1.00 0.00 N ATOM 363 CA MET A 24 3.263 -4.109 1.934 1.00 0.00 C ATOM 364 C MET A 24 3.284 -5.630 1.770 1.00 0.00 C ATOM 365 O MET A 24 2.362 -6.318 2.205 1.00 0.00 O ATOM 366 CB MET A 24 3.607 -3.746 3.380 1.00 0.00 C ATOM 367 CG MET A 24 3.750 -2.232 3.546 1.00 0.00 C ATOM 368 SD MET A 24 4.562 -1.861 5.091 1.00 0.00 S ATOM 369 CE MET A 24 3.278 -2.333 6.237 1.00 0.00 C ATOM 0 H MET A 24 1.224 -3.766 2.275 1.00 0.00 H new ATOM 0 HA MET A 24 4.001 -3.679 1.257 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.828 -4.117 4.047 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.536 -4.237 3.671 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.324 -1.820 2.716 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.768 -1.761 3.520 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.053 -1.495 6.897 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.381 -2.610 5.684 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.615 -3.183 6.831 1.00 0.00 H new ATOM 378 N PHE A 25 4.347 -6.111 1.141 1.00 0.00 N ATOM 379 CA PHE A 25 4.501 -7.538 0.914 1.00 0.00 C ATOM 380 C PHE A 25 5.976 -7.941 0.938 1.00 0.00 C ATOM 381 O PHE A 25 6.858 -7.091 0.821 1.00 0.00 O ATOM 382 CB PHE A 25 3.925 -7.835 -0.472 1.00 0.00 C ATOM 383 CG PHE A 25 4.833 -7.408 -1.627 1.00 0.00 C ATOM 384 CD1 PHE A 25 5.037 -6.087 -1.879 1.00 0.00 C ATOM 385 CD2 PHE A 25 5.436 -8.349 -2.402 1.00 0.00 C ATOM 386 CE1 PHE A 25 5.879 -5.691 -2.951 1.00 0.00 C ATOM 387 CE2 PHE A 25 6.278 -7.953 -3.474 1.00 0.00 C ATOM 388 CZ PHE A 25 6.482 -6.632 -3.726 1.00 0.00 C ATOM 0 H PHE A 25 5.110 -5.537 0.782 1.00 0.00 H new ATOM 0 HA PHE A 25 3.987 -8.097 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.731 -8.905 -0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.965 -7.329 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.558 -5.340 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.274 -9.398 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.041 -4.642 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.757 -8.700 -4.089 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.123 -6.330 -4.541 1.00 0.00 H new ATOM 398 N MET A 26 6.200 -9.238 1.091 1.00 0.00 N ATOM 399 CA MET A 26 7.554 -9.764 1.132 1.00 0.00 C ATOM 400 C MET A 26 8.017 -10.195 -0.262 1.00 0.00 C ATOM 401 O MET A 26 7.206 -10.609 -1.089 1.00 0.00 O ATOM 402 CB MET A 26 7.607 -10.963 2.081 1.00 0.00 C ATOM 403 CG MET A 26 7.378 -10.526 3.529 1.00 0.00 C ATOM 404 SD MET A 26 7.810 -11.852 4.643 1.00 0.00 S ATOM 405 CE MET A 26 8.473 -10.909 6.005 1.00 0.00 C ATOM 0 H MET A 26 5.467 -9.940 1.188 1.00 0.00 H new ATOM 0 HA MET A 26 8.219 -8.977 1.488 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.850 -11.693 1.793 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.575 -11.457 1.995 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.979 -9.644 3.751 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.335 -10.245 3.672 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.793 -11.588 6.796 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.326 -10.324 5.661 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.705 -10.239 6.391 1.00 0.00 H new ATOM 414 N VAL A 27 9.319 -10.083 -0.478 1.00 0.00 N ATOM 415 CA VAL A 27 9.900 -10.455 -1.757 1.00 0.00 C ATOM 416 C VAL A 27 9.569 -11.919 -2.055 1.00 0.00 C ATOM 417 O VAL A 27 9.702 -12.370 -3.192 1.00 0.00 O ATOM 418 CB VAL A 27 11.403 -10.171 -1.752 1.00 0.00 C ATOM 419 CG1 VAL A 27 12.131 -11.090 -0.770 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.990 -10.297 -3.160 1.00 0.00 C ATOM 0 H VAL A 27 9.988 -9.740 0.211 1.00 0.00 H new ATOM 0 HA VAL A 27 9.473 -9.854 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 27 11.549 -9.143 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.198 -10.867 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.742 -10.929 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.973 -12.129 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.060 -10.090 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.827 -11.308 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.502 -9.583 -3.823 1.00 0.00 H new ATOM 428 N ALA A 28 9.144 -12.620 -1.015 1.00 0.00 N ATOM 429 CA ALA A 28 8.793 -14.024 -1.151 1.00 0.00 C ATOM 430 C ALA A 28 8.129 -14.249 -2.510 1.00 0.00 C ATOM 431 O ALA A 28 8.468 -15.194 -3.222 1.00 0.00 O ATOM 432 CB ALA A 28 7.894 -14.441 0.014 1.00 0.00 C ATOM 0 H ALA A 28 9.034 -12.242 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 28 9.686 -14.648 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.631 -15.494 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.423 -14.289 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.986 -13.838 0.007 1.00 0.00 H new ATOM 437 N ALA A 29 7.195 -13.366 -2.830 1.00 0.00 N ATOM 438 CA ALA A 29 6.480 -13.457 -4.092 1.00 0.00 C ATOM 439 C ALA A 29 6.031 -12.059 -4.521 1.00 0.00 C ATOM 440 O ALA A 29 5.664 -11.236 -3.684 1.00 0.00 O ATOM 441 CB ALA A 29 5.305 -14.426 -3.945 1.00 0.00 C ATOM 0 H ALA A 29 6.917 -12.584 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 29 7.131 -13.849 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.769 -14.494 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.679 -15.412 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.629 -14.063 -3.171 1.00 0.00 H new ATOM 446 N PRO A 30 6.078 -11.826 -5.860 1.00 0.00 N ATOM 447 CA PRO A 30 5.681 -10.541 -6.411 1.00 0.00 C ATOM 448 C PRO A 30 4.159 -10.387 -6.402 1.00 0.00 C ATOM 449 O PRO A 30 3.633 -9.354 -6.813 1.00 0.00 O ATOM 450 CB PRO A 30 6.273 -10.513 -7.811 1.00 0.00 C ATOM 451 CG PRO A 30 6.580 -11.960 -8.162 1.00 0.00 C ATOM 452 CD PRO A 30 6.508 -12.776 -6.882 1.00 0.00 C ATOM 0 HA PRO A 30 6.046 -9.700 -5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.571 -10.079 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.176 -9.904 -7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.865 -12.335 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.570 -12.042 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.802 -13.601 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.476 -13.212 -6.635 1.00 0.00 H new ATOM 460 N HIS A 31 3.494 -11.431 -5.929 1.00 0.00 N ATOM 461 CA HIS A 31 2.042 -11.425 -5.861 1.00 0.00 C ATOM 462 C HIS A 31 1.585 -12.138 -4.587 1.00 0.00 C ATOM 463 O HIS A 31 0.789 -13.074 -4.647 1.00 0.00 O ATOM 464 CB HIS A 31 1.437 -12.030 -7.130 1.00 0.00 C ATOM 465 CG HIS A 31 0.014 -11.599 -7.397 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.062 -12.464 -7.302 1.00 0.00 N ATOM 467 CD2 HIS A 31 -0.497 -10.386 -7.757 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.166 -11.792 -7.594 1.00 0.00 C ATOM 469 NE2 HIS A 31 -1.813 -10.504 -7.876 1.00 0.00 N ATOM 0 H HIS A 31 3.934 -12.286 -5.589 1.00 0.00 H new ATOM 0 HA HIS A 31 1.680 -10.398 -5.810 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.056 -11.753 -7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.468 -13.117 -7.053 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.073 -9.483 -7.918 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.169 -12.193 -7.607 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.455 -9.755 -8.136 1.00 0.00 H new ATOM 477 N VAL A 32 2.108 -11.669 -3.464 1.00 0.00 N ATOM 478 CA VAL A 32 1.764 -12.250 -2.178 1.00 0.00 C ATOM 479 C VAL A 32 1.914 -11.188 -1.087 1.00 0.00 C ATOM 480 O VAL A 32 2.974 -11.069 -0.474 1.00 0.00 O ATOM 481 CB VAL A 32 2.615 -13.495 -1.922 1.00 0.00 C ATOM 482 CG1 VAL A 32 2.491 -13.954 -0.468 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.241 -14.623 -2.886 1.00 0.00 C ATOM 0 H VAL A 32 2.768 -10.893 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 32 0.724 -12.577 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 32 3.657 -13.231 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.106 -14.841 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.829 -13.158 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.450 -14.191 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.861 -15.496 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.191 -14.884 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.404 -14.294 -3.912 1.00 0.00 H new ATOM 491 N PRO A 33 0.810 -10.424 -0.872 1.00 0.00 N ATOM 492 CA PRO A 33 0.809 -9.376 0.134 1.00 0.00 C ATOM 493 C PRO A 33 0.715 -9.968 1.542 1.00 0.00 C ATOM 494 O PRO A 33 0.236 -11.087 1.718 1.00 0.00 O ATOM 495 CB PRO A 33 -0.377 -8.493 -0.219 1.00 0.00 C ATOM 496 CG PRO A 33 -1.266 -9.331 -1.122 1.00 0.00 C ATOM 497 CD PRO A 33 -0.462 -10.537 -1.579 1.00 0.00 C ATOM 0 HA PRO A 33 1.732 -8.797 0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.913 -8.182 0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.051 -7.585 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.161 -9.649 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.598 -8.746 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.971 -11.469 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.317 -10.530 -2.659 1.00 0.00 H new ATOM 505 N VAL A 34 1.180 -9.190 2.509 1.00 0.00 N ATOM 506 CA VAL A 34 1.155 -9.624 3.895 1.00 0.00 C ATOM 507 C VAL A 34 0.171 -8.753 4.680 1.00 0.00 C ATOM 508 O VAL A 34 -0.608 -9.261 5.484 1.00 0.00 O ATOM 509 CB VAL A 34 2.570 -9.600 4.477 1.00 0.00 C ATOM 510 CG1 VAL A 34 2.988 -8.174 4.842 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.682 -10.531 5.686 1.00 0.00 C ATOM 0 H VAL A 34 1.576 -8.262 2.360 1.00 0.00 H new ATOM 0 HA VAL A 34 0.806 -10.654 3.966 1.00 0.00 H new ATOM 0 HB VAL A 34 3.254 -9.964 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.997 -8.185 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.967 -7.549 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.298 -7.771 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.698 -10.495 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.982 -10.211 6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.447 -11.551 5.383 1.00 0.00 H new ATOM 519 N LYS A 35 0.240 -7.456 4.417 1.00 0.00 N ATOM 520 CA LYS A 35 -0.635 -6.509 5.088 1.00 0.00 C ATOM 521 C LYS A 35 -0.863 -5.299 4.180 1.00 0.00 C ATOM 522 O LYS A 35 -0.105 -5.075 3.237 1.00 0.00 O ATOM 523 CB LYS A 35 -0.077 -6.148 6.466 1.00 0.00 C ATOM 524 CG LYS A 35 -0.698 -7.023 7.557 1.00 0.00 C ATOM 525 CD LYS A 35 0.363 -7.490 8.555 1.00 0.00 C ATOM 526 CE LYS A 35 -0.278 -8.243 9.723 1.00 0.00 C ATOM 527 NZ LYS A 35 0.735 -9.052 10.436 1.00 0.00 N ATOM 0 H LYS A 35 0.888 -7.039 3.749 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.611 -6.957 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.006 -6.273 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.277 -5.098 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.473 -6.463 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.181 -7.888 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.082 -8.136 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.917 -6.630 8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.737 -7.534 10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.074 -8.889 9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.283 -9.556 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.154 -9.741 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.481 -8.428 10.805 1.00 0.00 H new ATOM 540 N ARG A 36 -1.909 -4.523 4.469 1.00 0.00 N ATOM 541 CA ARG A 36 -2.232 -3.349 3.684 1.00 0.00 C ATOM 542 C ARG A 36 -3.055 -2.380 4.520 1.00 0.00 C ATOM 543 O ARG A 36 -3.614 -2.762 5.546 1.00 0.00 O ATOM 544 CB ARG A 36 -2.998 -3.769 2.433 1.00 0.00 C ATOM 545 CG ARG A 36 -2.211 -4.846 1.692 1.00 0.00 C ATOM 546 CD ARG A 36 -2.917 -5.182 0.382 1.00 0.00 C ATOM 547 NE ARG A 36 -4.018 -6.120 0.604 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.526 -6.886 -0.371 1.00 0.00 C ATOM 549 NH1 ARG A 36 -4.025 -6.813 -1.611 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.537 -7.726 -0.105 1.00 0.00 N ATOM 0 H ARG A 36 -2.545 -4.695 5.247 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.314 -2.846 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.983 -4.147 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.156 -2.908 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.197 -4.498 1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.125 -5.739 2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.299 -4.269 -0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.203 -5.614 -0.320 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.416 -6.194 1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.256 -6.174 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.412 -7.396 -2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.919 -7.782 0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.924 -8.309 -0.847 1.00 0.00 H new ATOM 564 N GLY A 37 -3.107 -1.141 4.053 1.00 0.00 N ATOM 565 CA GLY A 37 -3.858 -0.110 4.750 1.00 0.00 C ATOM 566 C GLY A 37 -3.763 1.229 4.016 1.00 0.00 C ATOM 567 O GLY A 37 -3.212 1.301 2.918 1.00 0.00 O ATOM 0 H GLY A 37 -2.642 -0.828 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.903 -0.410 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.476 -0.000 5.765 1.00 0.00 H new ATOM 571 N CYS A 38 -4.308 2.256 4.651 1.00 0.00 N ATOM 572 CA CYS A 38 -4.292 3.588 4.072 1.00 0.00 C ATOM 573 C CYS A 38 -3.192 4.398 4.761 1.00 0.00 C ATOM 574 O CYS A 38 -2.785 4.076 5.876 1.00 0.00 O ATOM 575 CB CYS A 38 -5.657 4.270 4.183 1.00 0.00 C ATOM 576 SG CYS A 38 -6.954 3.573 3.096 1.00 0.00 S ATOM 0 H CYS A 38 -4.764 2.192 5.561 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.079 3.521 3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.996 4.206 5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.539 5.328 3.951 1.00 0.00 H new ATOM 581 N ILE A 39 -2.741 5.433 4.068 1.00 0.00 N ATOM 582 CA ILE A 39 -1.696 6.292 4.599 1.00 0.00 C ATOM 583 C ILE A 39 -1.631 7.579 3.776 1.00 0.00 C ATOM 584 O ILE A 39 -2.439 7.783 2.871 1.00 0.00 O ATOM 585 CB ILE A 39 -0.366 5.538 4.667 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.467 6.002 5.863 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.402 5.663 3.350 1.00 0.00 C ATOM 588 CD1 ILE A 39 1.283 4.845 6.444 1.00 0.00 C ATOM 0 H ILE A 39 -3.080 5.696 3.143 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.926 6.581 5.625 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.580 4.480 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.136 6.805 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.189 6.411 6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.343 5.118 3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.195 5.246 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.606 6.714 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.866 5.201 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.609 4.054 6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.955 4.454 5.680 1.00 0.00 H new ATOM 598 N ASP A 40 -0.667 8.445 4.094 1.00 0.00 N ATOM 599 CA ASP A 40 -0.503 9.701 3.389 1.00 0.00 C ATOM 600 C ASP A 40 0.786 9.672 2.580 1.00 0.00 C ATOM 601 O ASP A 40 0.791 10.033 1.405 1.00 0.00 O ATOM 602 CB ASP A 40 -0.485 10.849 4.394 1.00 0.00 C ATOM 603 CG ASP A 40 0.319 10.476 5.631 1.00 0.00 C ATOM 604 OD1 ASP A 40 1.515 10.838 5.660 1.00 0.00 O ATOM 605 OD2 ASP A 40 -0.277 9.837 6.525 1.00 0.00 O ATOM 0 H ASP A 40 0.011 8.291 4.840 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.337 9.850 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.055 11.737 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.506 11.102 4.681 1.00 0.00 H new ATOM 611 N VAL A 41 1.852 9.239 3.238 1.00 0.00 N ATOM 612 CA VAL A 41 3.149 9.159 2.589 1.00 0.00 C ATOM 613 C VAL A 41 3.574 7.693 2.487 1.00 0.00 C ATOM 614 O VAL A 41 3.395 6.924 3.430 1.00 0.00 O ATOM 615 CB VAL A 41 4.164 10.025 3.339 1.00 0.00 C ATOM 616 CG1 VAL A 41 5.575 9.822 2.783 1.00 0.00 C ATOM 617 CG2 VAL A 41 3.764 11.501 3.295 1.00 0.00 C ATOM 0 H VAL A 41 1.843 8.940 4.213 1.00 0.00 H new ATOM 0 HA VAL A 41 3.093 9.553 1.574 1.00 0.00 H new ATOM 0 HB VAL A 41 4.167 9.710 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.277 10.449 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.861 8.776 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.593 10.097 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.502 12.094 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.718 11.835 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.786 11.627 3.760 1.00 0.00 H new ATOM 625 N CYS A 42 4.130 7.350 1.334 1.00 0.00 N ATOM 626 CA CYS A 42 4.582 5.989 1.096 1.00 0.00 C ATOM 627 C CYS A 42 6.026 5.871 1.585 1.00 0.00 C ATOM 628 O CYS A 42 6.838 6.766 1.357 1.00 0.00 O ATOM 629 CB CYS A 42 4.443 5.596 -0.376 1.00 0.00 C ATOM 630 SG CYS A 42 3.796 3.909 -0.662 1.00 0.00 S ATOM 0 H CYS A 42 4.278 7.991 0.554 1.00 0.00 H new ATOM 0 HA CYS A 42 3.954 5.292 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.783 6.311 -0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.419 5.682 -0.854 1.00 0.00 H new ATOM 635 N PRO A 43 6.311 4.729 2.267 1.00 0.00 N ATOM 636 CA PRO A 43 7.644 4.481 2.790 1.00 0.00 C ATOM 637 C PRO A 43 8.610 4.095 1.668 1.00 0.00 C ATOM 638 O PRO A 43 8.184 3.772 0.561 1.00 0.00 O ATOM 639 CB PRO A 43 7.463 3.382 3.824 1.00 0.00 C ATOM 640 CG PRO A 43 6.124 2.733 3.512 1.00 0.00 C ATOM 641 CD PRO A 43 5.375 3.646 2.555 1.00 0.00 C ATOM 0 HA PRO A 43 8.089 5.366 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.273 2.654 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.473 3.791 4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.271 1.750 3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.549 2.585 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.089 3.117 1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.458 4.025 3.005 1.00 0.00 H new ATOM 649 N LYS A 44 9.893 4.139 1.995 1.00 0.00 N ATOM 650 CA LYS A 44 10.923 3.797 1.029 1.00 0.00 C ATOM 651 C LYS A 44 10.855 2.299 0.725 1.00 0.00 C ATOM 652 O LYS A 44 10.550 1.497 1.606 1.00 0.00 O ATOM 653 CB LYS A 44 12.295 4.263 1.521 1.00 0.00 C ATOM 654 CG LYS A 44 13.408 3.763 0.597 1.00 0.00 C ATOM 655 CD LYS A 44 13.566 4.682 -0.616 1.00 0.00 C ATOM 656 CE LYS A 44 13.887 3.875 -1.876 1.00 0.00 C ATOM 657 NZ LYS A 44 14.085 4.777 -3.033 1.00 0.00 N ATOM 0 H LYS A 44 10.243 4.406 2.915 1.00 0.00 H new ATOM 0 HA LYS A 44 10.752 4.321 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.318 5.352 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.466 3.897 2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.348 3.715 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.182 2.750 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.649 5.251 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.361 5.404 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.785 3.279 -1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.075 3.178 -2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.302 4.213 -3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.218 5.327 -3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.875 5.425 -2.837 1.00 0.00 H new ATOM 670 N SER A 45 11.144 1.968 -0.525 1.00 0.00 N ATOM 671 CA SER A 45 11.118 0.580 -0.956 1.00 0.00 C ATOM 672 C SER A 45 12.497 -0.054 -0.760 1.00 0.00 C ATOM 673 O SER A 45 13.503 0.488 -1.215 1.00 0.00 O ATOM 674 CB SER A 45 10.684 0.466 -2.418 1.00 0.00 C ATOM 675 OG SER A 45 9.282 0.249 -2.543 1.00 0.00 O ATOM 0 H SER A 45 11.397 2.636 -1.253 1.00 0.00 H new ATOM 0 HA SER A 45 10.389 0.045 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.959 1.377 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.222 -0.355 -2.893 1.00 0.00 H new ATOM 0 HG SER A 45 9.044 0.183 -3.492 1.00 0.00 H new ATOM 681 N SER A 46 12.499 -1.192 -0.082 1.00 0.00 N ATOM 682 CA SER A 46 13.737 -1.905 0.179 1.00 0.00 C ATOM 683 C SER A 46 13.785 -3.192 -0.648 1.00 0.00 C ATOM 684 O SER A 46 12.806 -3.552 -1.299 1.00 0.00 O ATOM 685 CB SER A 46 13.884 -2.226 1.668 1.00 0.00 C ATOM 686 OG SER A 46 13.164 -3.400 2.035 1.00 0.00 O ATOM 0 H SER A 46 11.662 -1.638 0.295 1.00 0.00 H new ATOM 0 HA SER A 46 14.569 -1.263 -0.111 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.939 -2.358 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.526 -1.382 2.258 1.00 0.00 H new ATOM 0 HG SER A 46 12.288 -3.397 1.595 1.00 0.00 H new ATOM 692 N LEU A 47 14.934 -3.849 -0.595 1.00 0.00 N ATOM 693 CA LEU A 47 15.122 -5.088 -1.331 1.00 0.00 C ATOM 694 C LEU A 47 14.293 -6.195 -0.678 1.00 0.00 C ATOM 695 O LEU A 47 13.420 -6.780 -1.317 1.00 0.00 O ATOM 696 CB LEU A 47 16.611 -5.421 -1.447 1.00 0.00 C ATOM 697 CG LEU A 47 17.492 -4.344 -2.083 1.00 0.00 C ATOM 698 CD1 LEU A 47 18.847 -4.256 -1.376 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.645 -4.577 -3.587 1.00 0.00 C ATOM 0 H LEU A 47 15.744 -3.547 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 47 14.762 -4.982 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.994 -5.633 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.714 -6.337 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 47 16.998 -3.381 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.454 -3.483 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.694 -4.007 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.359 -5.215 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.276 -3.797 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.104 -5.550 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.664 -4.550 -4.061 1.00 0.00 H new ATOM 709 N LEU A 48 14.596 -6.450 0.587 1.00 0.00 N ATOM 710 CA LEU A 48 13.889 -7.477 1.333 1.00 0.00 C ATOM 711 C LEU A 48 12.384 -7.319 1.110 1.00 0.00 C ATOM 712 O LEU A 48 11.740 -8.202 0.547 1.00 0.00 O ATOM 713 CB LEU A 48 14.299 -7.446 2.807 1.00 0.00 C ATOM 714 CG LEU A 48 14.358 -8.801 3.515 1.00 0.00 C ATOM 715 CD1 LEU A 48 12.961 -9.410 3.650 1.00 0.00 C ATOM 716 CD2 LEU A 48 15.330 -9.747 2.808 1.00 0.00 C ATOM 0 H LEU A 48 15.321 -5.963 1.114 1.00 0.00 H new ATOM 0 HA LEU A 48 14.163 -8.468 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.280 -6.977 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.599 -6.807 3.345 1.00 0.00 H new ATOM 0 HG LEU A 48 14.739 -8.643 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.031 -10.373 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.327 -8.740 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.529 -9.552 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.353 -10.703 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.002 -9.904 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.328 -9.309 2.808 1.00 0.00 H new ATOM 726 N VAL A 49 11.867 -6.186 1.564 1.00 0.00 N ATOM 727 CA VAL A 49 10.449 -5.901 1.422 1.00 0.00 C ATOM 728 C VAL A 49 10.266 -4.706 0.485 1.00 0.00 C ATOM 729 O VAL A 49 11.127 -3.830 0.414 1.00 0.00 O ATOM 730 CB VAL A 49 9.818 -5.684 2.798 1.00 0.00 C ATOM 731 CG1 VAL A 49 9.968 -6.931 3.673 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.415 -4.456 3.488 1.00 0.00 C ATOM 0 H VAL A 49 12.405 -5.455 2.030 1.00 0.00 H new ATOM 0 HA VAL A 49 9.932 -6.749 0.973 1.00 0.00 H new ATOM 0 HB VAL A 49 8.753 -5.502 2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.511 -6.750 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.474 -7.775 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.026 -7.157 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.949 -4.325 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.489 -4.596 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.234 -3.571 2.877 1.00 0.00 H new ATOM 740 N LYS A 50 9.138 -4.707 -0.211 1.00 0.00 N ATOM 741 CA LYS A 50 8.831 -3.633 -1.140 1.00 0.00 C ATOM 742 C LYS A 50 7.399 -3.151 -0.900 1.00 0.00 C ATOM 743 O LYS A 50 6.550 -3.916 -0.446 1.00 0.00 O ATOM 744 CB LYS A 50 9.096 -4.079 -2.580 1.00 0.00 C ATOM 745 CG LYS A 50 9.517 -2.894 -3.452 1.00 0.00 C ATOM 746 CD LYS A 50 9.278 -3.191 -4.933 1.00 0.00 C ATOM 747 CE LYS A 50 10.579 -3.602 -5.627 1.00 0.00 C ATOM 748 NZ LYS A 50 11.051 -2.524 -6.524 1.00 0.00 N ATOM 0 H LYS A 50 8.426 -5.435 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 50 9.488 -2.781 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.877 -4.839 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.198 -4.539 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.956 -2.006 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.572 -2.673 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.541 -3.988 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.864 -2.309 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.342 -3.822 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.420 -4.516 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.934 -2.819 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.328 -2.333 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.222 -1.661 -5.969 1.00 0.00 H new ATOM 761 N TYR A 51 7.175 -1.883 -1.214 1.00 0.00 N ATOM 762 CA TYR A 51 5.861 -1.289 -1.038 1.00 0.00 C ATOM 763 C TYR A 51 5.427 -0.534 -2.296 1.00 0.00 C ATOM 764 O TYR A 51 6.262 0.016 -3.013 1.00 0.00 O ATOM 765 CB TYR A 51 5.999 -0.295 0.117 1.00 0.00 C ATOM 766 CG TYR A 51 6.889 -0.789 1.260 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.714 -2.059 1.771 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.866 0.036 1.779 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.552 -2.523 2.846 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.704 -0.429 2.854 1.00 0.00 C ATOM 771 CZ TYR A 51 8.506 -1.685 3.335 1.00 0.00 C ATOM 772 OH TYR A 51 9.297 -2.124 4.350 1.00 0.00 O ATOM 0 H TYR A 51 7.882 -1.251 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 51 5.115 -2.059 -0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.406 0.640 -0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.008 -0.073 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.949 -2.704 1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.002 1.030 1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.426 -3.514 3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.473 0.206 3.269 1.00 0.00 H new ATOM 0 HH TYR A 51 9.933 -1.421 4.597 1.00 0.00 H new ATOM 782 N VAL A 52 4.122 -0.531 -2.525 1.00 0.00 N ATOM 783 CA VAL A 52 3.568 0.148 -3.684 1.00 0.00 C ATOM 784 C VAL A 52 2.342 0.958 -3.257 1.00 0.00 C ATOM 785 O VAL A 52 1.519 0.480 -2.478 1.00 0.00 O ATOM 786 CB VAL A 52 3.260 -0.867 -4.787 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.365 -0.250 -5.865 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.548 -1.423 -5.396 1.00 0.00 C ATOM 0 H VAL A 52 3.433 -0.988 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 52 4.292 0.849 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 52 2.718 -1.698 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.161 -0.992 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.426 0.074 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.870 0.607 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.300 -2.142 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.129 -0.607 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.133 -1.917 -4.621 1.00 0.00 H new ATOM 796 N CYS A 53 2.259 2.170 -3.786 1.00 0.00 N ATOM 797 CA CYS A 53 1.148 3.050 -3.470 1.00 0.00 C ATOM 798 C CYS A 53 0.354 3.302 -4.753 1.00 0.00 C ATOM 799 O CYS A 53 0.869 3.111 -5.854 1.00 0.00 O ATOM 800 CB CYS A 53 1.625 4.355 -2.828 1.00 0.00 C ATOM 801 SG CYS A 53 1.793 4.297 -1.007 1.00 0.00 S ATOM 0 H CYS A 53 2.944 2.563 -4.432 1.00 0.00 H new ATOM 0 HA CYS A 53 0.502 2.574 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.589 4.625 -3.259 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.925 5.149 -3.089 1.00 0.00 H new ATOM 806 N CYS A 54 -0.887 3.728 -4.569 1.00 0.00 N ATOM 807 CA CYS A 54 -1.757 4.008 -5.699 1.00 0.00 C ATOM 808 C CYS A 54 -3.016 4.702 -5.175 1.00 0.00 C ATOM 809 O CYS A 54 -3.491 4.394 -4.083 1.00 0.00 O ATOM 810 CB CYS A 54 -2.091 2.738 -6.485 1.00 0.00 C ATOM 811 SG CYS A 54 -2.016 1.191 -5.511 1.00 0.00 S ATOM 0 H CYS A 54 -1.311 3.886 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.245 4.666 -6.401 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.092 2.839 -6.903 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.401 2.656 -7.325 1.00 0.00 H new ATOM 816 N ASN A 55 -3.521 5.627 -5.979 1.00 0.00 N ATOM 817 CA ASN A 55 -4.715 6.368 -5.610 1.00 0.00 C ATOM 818 C ASN A 55 -5.900 5.859 -6.434 1.00 0.00 C ATOM 819 O ASN A 55 -6.533 6.627 -7.157 1.00 0.00 O ATOM 820 CB ASN A 55 -4.547 7.861 -5.895 1.00 0.00 C ATOM 821 CG ASN A 55 -3.961 8.091 -7.289 1.00 0.00 C ATOM 822 OD1 ASN A 55 -4.333 7.452 -8.260 1.00 0.00 O ATOM 823 ND2 ASN A 55 -3.028 9.037 -7.335 1.00 0.00 N ATOM 0 H ASN A 55 -3.125 5.880 -6.884 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.887 6.222 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.512 8.361 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.895 8.307 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.577 9.266 -8.221 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.763 9.534 -6.485 1.00 0.00 H new ATOM 830 N THR A 56 -6.164 4.568 -6.297 1.00 0.00 N ATOM 831 CA THR A 56 -7.262 3.949 -7.020 1.00 0.00 C ATOM 832 C THR A 56 -8.067 3.039 -6.090 1.00 0.00 C ATOM 833 O THR A 56 -7.542 2.542 -5.095 1.00 0.00 O ATOM 834 CB THR A 56 -6.678 3.217 -8.230 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.567 2.499 -7.699 1.00 0.00 O ATOM 836 CG2 THR A 56 -6.051 4.173 -9.247 1.00 0.00 C ATOM 0 H THR A 56 -5.637 3.934 -5.697 1.00 0.00 H new ATOM 0 HA THR A 56 -7.968 4.696 -7.383 1.00 0.00 H new ATOM 0 HB THR A 56 -7.462 2.635 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.131 1.994 -8.417 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.652 3.602 -10.085 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.809 4.867 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.245 4.732 -8.772 1.00 0.00 H new ATOM 843 N ASP A 57 -9.342 2.824 -6.420 1.00 0.00 N ATOM 844 CA ASP A 57 -10.208 1.982 -5.619 1.00 0.00 C ATOM 845 C ASP A 57 -9.731 0.539 -5.688 1.00 0.00 C ATOM 846 O ASP A 57 -9.569 -0.012 -6.775 1.00 0.00 O ATOM 847 CB ASP A 57 -11.643 2.102 -6.126 1.00 0.00 C ATOM 848 CG ASP A 57 -12.442 3.074 -5.269 1.00 0.00 C ATOM 849 OD1 ASP A 57 -11.948 3.399 -4.168 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.533 3.472 -5.731 1.00 0.00 O ATOM 0 H ASP A 57 -9.792 3.227 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.176 2.305 -4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.640 2.442 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.121 1.122 -6.113 1.00 0.00 H new ATOM 856 N LYS A 58 -9.516 -0.038 -4.514 1.00 0.00 N ATOM 857 CA LYS A 58 -9.058 -1.414 -4.430 1.00 0.00 C ATOM 858 C LYS A 58 -7.737 -1.554 -5.189 1.00 0.00 C ATOM 859 O LYS A 58 -7.603 -2.416 -6.056 1.00 0.00 O ATOM 860 CB LYS A 58 -10.149 -2.373 -4.912 1.00 0.00 C ATOM 861 CG LYS A 58 -10.121 -3.679 -4.116 1.00 0.00 C ATOM 862 CD LYS A 58 -9.708 -4.854 -5.005 1.00 0.00 C ATOM 863 CE LYS A 58 -8.241 -5.225 -4.776 1.00 0.00 C ATOM 864 NZ LYS A 58 -7.765 -6.139 -5.838 1.00 0.00 N ATOM 0 H LYS A 58 -9.651 0.423 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.861 -1.687 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.126 -1.900 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.009 -2.586 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.424 -3.586 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.105 -3.870 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.342 -5.715 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.862 -4.594 -6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.629 -4.323 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.128 -5.700 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.768 -6.380 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.338 -7.007 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.854 -5.673 -6.763 1.00 0.00 H new ATOM 877 N CYS A 59 -6.794 -0.694 -4.834 1.00 0.00 N ATOM 878 CA CYS A 59 -5.488 -0.711 -5.471 1.00 0.00 C ATOM 879 C CYS A 59 -4.530 -1.505 -4.581 1.00 0.00 C ATOM 880 O CYS A 59 -3.785 -2.355 -5.068 1.00 0.00 O ATOM 881 CB CYS A 59 -4.973 0.704 -5.744 1.00 0.00 C ATOM 882 SG CYS A 59 -3.816 1.356 -4.484 1.00 0.00 S ATOM 0 H CYS A 59 -6.908 0.019 -4.114 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.562 -1.194 -6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.475 0.714 -6.714 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.826 1.378 -5.817 1.00 0.00 H new ATOM 887 N ASN A 60 -4.580 -1.200 -3.293 1.00 0.00 N ATOM 888 CA ASN A 60 -3.726 -1.876 -2.331 1.00 0.00 C ATOM 889 C ASN A 60 -4.383 -3.189 -1.905 1.00 0.00 C ATOM 890 O ASN A 60 -5.165 -3.769 -2.657 1.00 0.00 O ATOM 891 CB ASN A 60 -3.524 -1.020 -1.078 1.00 0.00 C ATOM 892 CG ASN A 60 -4.757 -1.071 -0.175 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.868 -1.328 -0.610 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.502 -0.812 1.105 1.00 0.00 N ATOM 0 H ASN A 60 -5.198 -0.494 -2.893 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.761 -2.056 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.652 -1.373 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.323 0.012 -1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.260 -0.821 1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.549 -0.604 1.403 1.00 0.00 H new