USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 428 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 Set 1.1: A 48 THR OG1 : rot 119:sc= 0.0979 USER MOD Set 1.2: A 50 THR OG1 : rot -60:sc= 1.04 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.09 K(o=2.2,f=-2.2!) USER MOD Set 2.2: A 33 TYR OH : rot -96:sc= 1.08 USER MOD Single : A 4 MET CE :methyl -150:sc= -0.366 (180deg=-1.69!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -178:sc= -5.84! USER MOD Single : A 16 TYR OH : rot 141:sc= -0.905! USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.131) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -8.58! C(o=-8.6!,f=-15!) USER MOD Single : A 35 ASN : amide:sc= -7.31! C(o=-7.3!,f=-21!) USER MOD Single : A 38 MET CE :methyl -152:sc= -0.179 (180deg=-1.25) USER MOD Single : A 41 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-6.2!) USER MOD Single : A 43 ASN : amide:sc= -3.18 K(o=-3.2,f=-3.7!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc=-0.00486 K(o=-0.0049,f=-1.8!) USER MOD Single : A 51 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -14.931 -8.471 5.444 1.00 0.00 N ATOM 42 CA MET A 4 -15.985 -7.480 5.097 1.00 0.00 C ATOM 43 C MET A 4 -15.699 -6.182 5.852 1.00 0.00 C ATOM 44 O MET A 4 -15.934 -5.096 5.357 1.00 0.00 O ATOM 45 CB MET A 4 -17.356 -8.026 5.502 1.00 0.00 C ATOM 46 CG MET A 4 -17.602 -9.359 4.792 1.00 0.00 C ATOM 47 SD MET A 4 -17.559 -9.109 2.999 1.00 0.00 S ATOM 48 CE MET A 4 -18.945 -7.950 2.899 1.00 0.00 C ATOM 0 HA MET A 4 -15.985 -7.292 4.023 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.400 -8.163 6.582 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.136 -7.312 5.239 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.844 -10.085 5.086 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.568 -9.768 5.089 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.441 -8.058 1.934 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.655 -8.162 3.698 1.00 0.00 H new ATOM 0 HE3 MET A 4 -18.575 -6.930 3.004 1.00 0.00 H new ATOM 58 N CYS A 5 -15.177 -6.289 7.045 1.00 0.00 N ATOM 59 CA CYS A 5 -14.856 -5.067 7.833 1.00 0.00 C ATOM 60 C CYS A 5 -13.525 -4.488 7.341 1.00 0.00 C ATOM 61 O CYS A 5 -13.011 -3.534 7.888 1.00 0.00 O ATOM 62 CB CYS A 5 -14.742 -5.431 9.317 1.00 0.00 C ATOM 63 SG CYS A 5 -16.020 -6.641 9.741 1.00 0.00 S ATOM 0 H CYS A 5 -14.959 -7.172 7.507 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.646 -4.328 7.704 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -13.754 -5.841 9.527 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -14.854 -4.538 9.931 1.00 0.00 H new ATOM 68 N LYS A 6 -12.962 -5.058 6.312 1.00 0.00 N ATOM 69 CA LYS A 6 -11.670 -4.535 5.789 1.00 0.00 C ATOM 70 C LYS A 6 -11.831 -3.062 5.410 1.00 0.00 C ATOM 71 O LYS A 6 -10.897 -2.287 5.474 1.00 0.00 O ATOM 72 CB LYS A 6 -11.262 -5.334 4.551 1.00 0.00 C ATOM 73 CG LYS A 6 -10.484 -6.576 4.985 1.00 0.00 C ATOM 74 CD LYS A 6 -9.771 -7.181 3.774 1.00 0.00 C ATOM 75 CE LYS A 6 -9.204 -8.551 4.149 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.715 -8.489 4.146 1.00 0.00 N ATOM 0 H LYS A 6 -13.340 -5.862 5.812 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.902 -4.632 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.146 -5.625 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.649 -4.719 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.758 -6.313 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.162 -7.308 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.466 -7.279 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.969 -6.521 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.564 -8.849 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.549 -9.305 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.328 -9.420 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.381 -8.223 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.396 -7.781 4.837 1.00 0.00 H new ATOM 90 N ASP A 7 -13.010 -2.671 5.008 1.00 0.00 N ATOM 91 CA ASP A 7 -13.230 -1.249 4.618 1.00 0.00 C ATOM 92 C ASP A 7 -14.626 -0.797 5.057 1.00 0.00 C ATOM 93 O ASP A 7 -15.499 -0.574 4.241 1.00 0.00 O ATOM 94 CB ASP A 7 -13.106 -1.113 3.099 1.00 0.00 C ATOM 95 CG ASP A 7 -13.537 0.294 2.673 1.00 0.00 C ATOM 96 OD1 ASP A 7 -13.675 1.137 3.543 1.00 0.00 O ATOM 97 OD2 ASP A 7 -13.720 0.502 1.485 1.00 0.00 O ATOM 0 H ASP A 7 -13.829 -3.274 4.933 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.481 -0.624 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.077 -1.299 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.727 -1.860 2.605 1.00 0.00 H new ATOM 102 N TYR A 8 -14.845 -0.653 6.336 1.00 0.00 N ATOM 103 CA TYR A 8 -16.186 -0.206 6.815 1.00 0.00 C ATOM 104 C TYR A 8 -16.054 1.166 7.482 1.00 0.00 C ATOM 105 O TYR A 8 -15.010 1.786 7.449 1.00 0.00 O ATOM 106 CB TYR A 8 -16.748 -1.225 7.816 1.00 0.00 C ATOM 107 CG TYR A 8 -16.095 -1.043 9.169 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.649 -0.158 10.102 1.00 0.00 C ATOM 109 CD2 TYR A 8 -14.936 -1.757 9.487 1.00 0.00 C ATOM 110 CE1 TYR A 8 -16.043 0.010 11.353 1.00 0.00 C ATOM 111 CE2 TYR A 8 -14.329 -1.589 10.736 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.882 -0.706 11.670 1.00 0.00 C ATOM 113 OH TYR A 8 -14.283 -0.539 12.902 1.00 0.00 O ATOM 0 H TYR A 8 -14.156 -0.825 7.068 1.00 0.00 H new ATOM 0 HA TYR A 8 -16.869 -0.132 5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.827 -1.101 7.905 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.573 -2.238 7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -17.544 0.395 9.857 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.509 -2.439 8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -16.471 0.692 12.073 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.433 -2.141 10.979 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.471 -1.086 12.948 1.00 0.00 H new ATOM 123 N ARG A 9 -17.106 1.646 8.086 1.00 0.00 N ATOM 124 CA ARG A 9 -17.037 2.977 8.751 1.00 0.00 C ATOM 125 C ARG A 9 -17.994 3.001 9.944 1.00 0.00 C ATOM 126 O ARG A 9 -19.052 2.402 9.917 1.00 0.00 O ATOM 127 CB ARG A 9 -17.437 4.067 7.755 1.00 0.00 C ATOM 128 CG ARG A 9 -16.268 4.353 6.810 1.00 0.00 C ATOM 129 CD ARG A 9 -16.649 5.490 5.859 1.00 0.00 C ATOM 130 NE ARG A 9 -15.704 5.514 4.707 1.00 0.00 N ATOM 131 CZ ARG A 9 -15.958 6.267 3.671 1.00 0.00 C ATOM 132 NH1 ARG A 9 -16.826 7.237 3.766 1.00 0.00 N ATOM 133 NH2 ARG A 9 -15.341 6.051 2.540 1.00 0.00 N ATOM 0 H ARG A 9 -18.009 1.175 8.148 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.019 3.157 9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.310 3.750 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.718 4.975 8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.381 4.625 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.018 3.457 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.670 5.353 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.621 6.444 6.386 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.859 4.943 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.306 7.407 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.024 7.825 2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.661 5.294 2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.539 6.639 1.730 1.00 0.00 H new ATOM 147 N VAL A 10 -17.633 3.691 10.990 1.00 0.00 N ATOM 148 CA VAL A 10 -18.521 3.758 12.184 1.00 0.00 C ATOM 149 C VAL A 10 -18.346 5.118 12.865 1.00 0.00 C ATOM 150 O VAL A 10 -17.261 5.660 12.921 1.00 0.00 O ATOM 151 CB VAL A 10 -18.151 2.636 13.159 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.787 2.909 14.525 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.671 1.304 12.614 1.00 0.00 C ATOM 0 H VAL A 10 -16.760 4.212 11.070 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.560 3.637 11.879 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.067 2.592 13.268 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.522 2.109 15.216 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.422 3.860 14.913 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.871 2.953 14.419 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.410 0.502 13.304 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.755 1.353 12.507 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.219 1.107 11.642 1.00 0.00 H new ATOM 163 N LEU A 11 -19.410 5.679 13.375 1.00 0.00 N ATOM 164 CA LEU A 11 -19.306 7.008 14.042 1.00 0.00 C ATOM 165 C LEU A 11 -19.659 6.874 15.525 1.00 0.00 C ATOM 166 O LEU A 11 -20.108 5.836 15.973 1.00 0.00 O ATOM 167 CB LEU A 11 -20.277 7.981 13.373 1.00 0.00 C ATOM 168 CG LEU A 11 -19.512 8.861 12.383 1.00 0.00 C ATOM 169 CD1 LEU A 11 -19.426 8.148 11.033 1.00 0.00 C ATOM 170 CD2 LEU A 11 -20.244 10.193 12.211 1.00 0.00 C ATOM 0 H LEU A 11 -20.346 5.274 13.358 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.286 7.382 13.950 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.062 7.430 12.855 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.765 8.600 14.126 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.507 9.047 12.762 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.881 8.773 10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.904 7.199 11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.431 7.963 10.654 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.698 10.820 11.505 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.249 10.009 11.831 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.307 10.701 13.174 1.00 0.00 H new ATOM 182 N PRO A 12 -19.452 7.950 16.301 1.00 0.00 N ATOM 183 CA PRO A 12 -19.752 7.959 17.739 1.00 0.00 C ATOM 184 C PRO A 12 -21.257 7.890 18.004 1.00 0.00 C ATOM 185 O PRO A 12 -21.694 7.463 19.054 1.00 0.00 O ATOM 186 CB PRO A 12 -19.193 9.301 18.213 1.00 0.00 C ATOM 187 CG PRO A 12 -19.201 10.160 16.995 1.00 0.00 C ATOM 188 CD PRO A 12 -18.914 9.243 15.840 1.00 0.00 C ATOM 0 HA PRO A 12 -19.322 7.100 18.254 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.807 9.729 19.005 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.186 9.192 18.615 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.165 10.653 16.872 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.448 10.945 17.066 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.402 9.580 14.926 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.847 9.183 15.628 1.00 0.00 H new ATOM 196 N ARG A 13 -22.053 8.303 17.057 1.00 0.00 N ATOM 197 CA ARG A 13 -23.530 8.256 17.251 1.00 0.00 C ATOM 198 C ARG A 13 -24.092 7.027 16.534 1.00 0.00 C ATOM 199 O ARG A 13 -25.146 6.526 16.871 1.00 0.00 O ATOM 200 CB ARG A 13 -24.161 9.523 16.670 1.00 0.00 C ATOM 201 CG ARG A 13 -23.704 10.737 17.484 1.00 0.00 C ATOM 202 CD ARG A 13 -24.308 12.009 16.886 1.00 0.00 C ATOM 203 NE ARG A 13 -23.777 13.198 17.612 1.00 0.00 N ATOM 204 CZ ARG A 13 -24.600 14.066 18.134 1.00 0.00 C ATOM 205 NH1 ARG A 13 -25.770 14.266 17.591 1.00 0.00 N ATOM 206 NH2 ARG A 13 -24.253 14.734 19.200 1.00 0.00 N ATOM 0 H ARG A 13 -21.745 8.671 16.157 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.760 8.195 18.315 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.871 9.641 15.626 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.248 9.444 16.692 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.014 10.629 18.523 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.616 10.802 17.481 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.064 12.077 15.826 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.395 11.979 16.961 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.770 13.333 17.701 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -26.042 13.744 16.758 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -26.413 14.945 18.000 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -23.339 14.578 19.625 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -24.896 15.413 19.608 1.00 0.00 H new ATOM 220 N ILE A 14 -23.395 6.539 15.545 1.00 0.00 N ATOM 221 CA ILE A 14 -23.883 5.344 14.801 1.00 0.00 C ATOM 222 C ILE A 14 -23.374 4.069 15.478 1.00 0.00 C ATOM 223 O ILE A 14 -24.086 3.093 15.601 1.00 0.00 O ATOM 224 CB ILE A 14 -23.363 5.396 13.363 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.960 6.609 12.648 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.769 4.118 12.627 1.00 0.00 C ATOM 227 CD1 ILE A 14 -23.285 6.781 11.287 1.00 0.00 C ATOM 0 H ILE A 14 -22.506 6.918 15.219 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.973 5.341 14.799 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.276 5.479 13.373 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -25.034 6.476 12.519 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.820 7.506 13.251 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.399 4.155 11.603 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.342 3.254 13.136 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.856 4.033 12.617 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.710 7.645 10.777 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -22.215 6.933 11.428 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.448 5.888 10.684 1.00 0.00 H new ATOM 239 N GLY A 15 -22.144 4.068 15.913 1.00 0.00 N ATOM 240 CA GLY A 15 -21.589 2.854 16.577 1.00 0.00 C ATOM 241 C GLY A 15 -21.395 1.751 15.533 1.00 0.00 C ATOM 242 O GLY A 15 -21.593 1.960 14.354 1.00 0.00 O ATOM 0 H GLY A 15 -21.499 4.855 15.838 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.638 3.089 17.055 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.265 2.513 17.362 1.00 0.00 H new ATOM 246 N TYR A 16 -21.010 0.577 15.956 1.00 0.00 N ATOM 247 CA TYR A 16 -20.806 -0.531 14.981 1.00 0.00 C ATOM 248 C TYR A 16 -22.155 -1.171 14.649 1.00 0.00 C ATOM 249 O TYR A 16 -23.088 -1.114 15.425 1.00 0.00 O ATOM 250 CB TYR A 16 -19.878 -1.584 15.588 1.00 0.00 C ATOM 251 CG TYR A 16 -19.007 -2.170 14.503 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.562 -3.033 13.549 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.646 -1.848 14.448 1.00 0.00 C ATOM 254 CE1 TYR A 16 -18.755 -3.573 12.541 1.00 0.00 C ATOM 255 CE2 TYR A 16 -16.838 -2.390 13.439 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.394 -3.252 12.487 1.00 0.00 C ATOM 257 OH TYR A 16 -16.599 -3.786 11.491 1.00 0.00 O ATOM 0 H TYR A 16 -20.829 0.338 16.931 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.356 -0.135 14.071 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.258 -1.135 16.364 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.464 -2.370 16.064 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.612 -3.281 13.591 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.218 -1.182 15.183 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.183 -4.237 11.805 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.788 -2.143 13.396 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.964 -3.107 11.180 1.00 0.00 H new ATOM 267 N LEU A 17 -22.268 -1.777 13.499 1.00 0.00 N ATOM 268 CA LEU A 17 -23.560 -2.415 13.117 1.00 0.00 C ATOM 269 C LEU A 17 -23.390 -3.936 13.063 1.00 0.00 C ATOM 270 O LEU A 17 -22.623 -4.458 12.278 1.00 0.00 O ATOM 271 CB LEU A 17 -23.989 -1.898 11.743 1.00 0.00 C ATOM 272 CG LEU A 17 -25.339 -2.507 11.363 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.439 -1.896 12.233 1.00 0.00 C ATOM 274 CD2 LEU A 17 -25.631 -2.214 9.892 1.00 0.00 C ATOM 0 H LEU A 17 -21.522 -1.858 12.808 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.321 -2.167 13.857 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.061 -0.811 11.759 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.239 -2.157 10.996 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.309 -3.585 11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.401 -2.331 11.962 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.230 -2.104 13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.471 -0.818 12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.593 -2.647 9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -25.661 -1.136 9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -24.848 -2.650 9.272 1.00 0.00 H new ATOM 286 N CYS A 18 -24.105 -4.651 13.889 1.00 0.00 N ATOM 287 CA CYS A 18 -23.992 -6.138 13.886 1.00 0.00 C ATOM 288 C CYS A 18 -25.392 -6.755 13.936 1.00 0.00 C ATOM 289 O CYS A 18 -26.337 -6.134 14.379 1.00 0.00 O ATOM 290 CB CYS A 18 -23.187 -6.594 15.105 1.00 0.00 C ATOM 291 SG CYS A 18 -21.547 -5.836 15.051 1.00 0.00 S ATOM 0 H CYS A 18 -24.764 -4.269 14.567 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.484 -6.462 12.977 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.702 -6.310 16.023 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.099 -7.680 15.112 1.00 0.00 H new ATOM 296 N PRO A 19 -25.520 -8.003 13.465 1.00 0.00 N ATOM 297 CA PRO A 19 -26.804 -8.717 13.448 1.00 0.00 C ATOM 298 C PRO A 19 -27.248 -9.123 14.855 1.00 0.00 C ATOM 299 O PRO A 19 -26.492 -9.041 15.802 1.00 0.00 O ATOM 300 CB PRO A 19 -26.506 -9.965 12.616 1.00 0.00 C ATOM 301 CG PRO A 19 -25.037 -10.178 12.765 1.00 0.00 C ATOM 302 CD PRO A 19 -24.422 -8.815 12.914 1.00 0.00 C ATOM 0 HA PRO A 19 -27.609 -8.101 13.048 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.069 -10.825 12.977 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.781 -9.819 11.571 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.821 -10.798 13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.630 -10.695 11.896 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.561 -8.834 13.583 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.074 -8.424 11.958 1.00 0.00 H new ATOM 310 N LYS A 20 -28.469 -9.561 14.999 1.00 0.00 N ATOM 311 CA LYS A 20 -28.957 -9.973 16.345 1.00 0.00 C ATOM 312 C LYS A 20 -28.741 -11.477 16.529 1.00 0.00 C ATOM 313 O LYS A 20 -28.998 -12.025 17.583 1.00 0.00 O ATOM 314 CB LYS A 20 -30.449 -9.653 16.469 1.00 0.00 C ATOM 315 CG LYS A 20 -30.657 -8.141 16.355 1.00 0.00 C ATOM 316 CD LYS A 20 -32.132 -7.811 16.588 1.00 0.00 C ATOM 317 CE LYS A 20 -32.351 -6.306 16.422 1.00 0.00 C ATOM 318 NZ LYS A 20 -32.299 -5.954 14.974 1.00 0.00 N ATOM 0 H LYS A 20 -29.149 -9.651 14.244 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.405 -9.430 17.112 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -31.009 -10.168 15.688 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.831 -10.013 17.425 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.037 -7.622 17.086 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.347 -7.794 15.370 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.754 -8.360 15.881 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.432 -8.125 17.588 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -33.315 -6.019 16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -31.587 -5.754 16.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -32.661 -4.989 14.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -31.316 -6.005 14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -32.884 -6.622 14.433 1.00 0.00 H new ATOM 332 N ASP A 21 -28.268 -12.149 15.515 1.00 0.00 N ATOM 333 CA ASP A 21 -28.033 -13.614 15.637 1.00 0.00 C ATOM 334 C ASP A 21 -26.723 -13.855 16.387 1.00 0.00 C ATOM 335 O ASP A 21 -25.701 -13.286 16.068 1.00 0.00 O ATOM 336 CB ASP A 21 -27.943 -14.235 14.241 1.00 0.00 C ATOM 337 CG ASP A 21 -29.261 -14.010 13.497 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.227 -13.637 14.144 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.284 -14.214 12.295 1.00 0.00 O ATOM 0 H ASP A 21 -28.034 -11.746 14.608 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.857 -14.071 16.184 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.118 -13.789 13.685 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.734 -15.302 14.319 1.00 0.00 H new ATOM 344 N LEU A 22 -26.747 -14.694 17.386 1.00 0.00 N ATOM 345 CA LEU A 22 -25.501 -14.966 18.155 1.00 0.00 C ATOM 346 C LEU A 22 -24.703 -16.069 17.458 1.00 0.00 C ATOM 347 O LEU A 22 -25.198 -17.154 17.221 1.00 0.00 O ATOM 348 CB LEU A 22 -25.865 -15.414 19.573 1.00 0.00 C ATOM 349 CG LEU A 22 -24.604 -15.440 20.443 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.721 -16.619 20.029 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.831 -14.133 20.261 1.00 0.00 C ATOM 0 H LEU A 22 -27.573 -15.201 17.702 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.898 -14.059 18.205 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.601 -14.734 20.002 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.322 -16.403 19.547 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.888 -15.550 21.490 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.824 -16.637 20.648 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.272 -17.550 20.161 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.437 -16.511 18.982 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.934 -14.152 20.880 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.548 -14.021 19.215 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.460 -13.294 20.559 1.00 0.00 H new ATOM 363 N LYS A 23 -23.468 -15.802 17.127 1.00 0.00 N ATOM 364 CA LYS A 23 -22.639 -16.838 16.447 1.00 0.00 C ATOM 365 C LYS A 23 -21.192 -16.733 16.933 1.00 0.00 C ATOM 366 O LYS A 23 -20.455 -15.857 16.525 1.00 0.00 O ATOM 367 CB LYS A 23 -22.688 -16.615 14.933 1.00 0.00 C ATOM 368 CG LYS A 23 -23.934 -17.287 14.359 1.00 0.00 C ATOM 369 CD LYS A 23 -23.734 -17.536 12.862 1.00 0.00 C ATOM 370 CE LYS A 23 -24.735 -18.587 12.379 1.00 0.00 C ATOM 371 NZ LYS A 23 -26.027 -17.926 12.043 1.00 0.00 N ATOM 0 H LYS A 23 -22.998 -14.913 17.298 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.029 -17.829 16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.703 -15.548 14.712 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.793 -17.025 14.465 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.122 -18.229 14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.808 -16.656 14.520 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.870 -16.608 12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.716 -17.875 12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -24.341 -19.105 11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.890 -19.340 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -26.707 -18.641 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -26.404 -17.451 12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -25.873 -17.224 11.291 1.00 0.00 H new ATOM 385 N PRO A 24 -20.785 -17.651 17.824 1.00 0.00 N ATOM 386 CA PRO A 24 -19.425 -17.677 18.389 1.00 0.00 C ATOM 387 C PRO A 24 -18.367 -17.975 17.326 1.00 0.00 C ATOM 388 O PRO A 24 -18.408 -18.992 16.665 1.00 0.00 O ATOM 389 CB PRO A 24 -19.486 -18.820 19.405 1.00 0.00 C ATOM 390 CG PRO A 24 -20.592 -19.688 18.913 1.00 0.00 C ATOM 391 CD PRO A 24 -21.615 -18.748 18.347 1.00 0.00 C ATOM 0 HA PRO A 24 -19.143 -16.716 18.820 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.543 -19.364 19.449 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.688 -18.449 20.410 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.236 -20.385 18.154 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.012 -20.285 19.722 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.208 -19.218 17.562 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.313 -18.401 19.109 1.00 0.00 H new ATOM 399 N VAL A 25 -17.419 -17.093 17.155 1.00 0.00 N ATOM 400 CA VAL A 25 -16.363 -17.334 16.131 1.00 0.00 C ATOM 401 C VAL A 25 -14.988 -17.369 16.795 1.00 0.00 C ATOM 402 O VAL A 25 -14.772 -16.780 17.836 1.00 0.00 O ATOM 403 CB VAL A 25 -16.373 -16.209 15.098 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.778 -16.046 14.522 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.941 -14.905 15.771 1.00 0.00 C ATOM 0 H VAL A 25 -17.331 -16.221 17.677 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.565 -18.289 15.645 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.683 -16.452 14.290 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.778 -15.242 13.786 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.085 -16.976 14.044 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.474 -15.803 15.325 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.946 -14.098 15.038 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.633 -14.666 16.579 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.936 -15.020 16.176 1.00 0.00 H new ATOM 415 N CYS A 26 -14.053 -18.041 16.185 1.00 0.00 N ATOM 416 CA CYS A 26 -12.681 -18.103 16.760 1.00 0.00 C ATOM 417 C CYS A 26 -11.795 -17.097 16.022 1.00 0.00 C ATOM 418 O CYS A 26 -11.782 -17.045 14.811 1.00 0.00 O ATOM 419 CB CYS A 26 -12.115 -19.513 16.586 1.00 0.00 C ATOM 420 SG CYS A 26 -10.351 -19.514 16.994 1.00 0.00 S ATOM 0 H CYS A 26 -14.180 -18.551 15.311 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.711 -17.862 17.823 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.648 -20.212 17.231 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.261 -19.851 15.560 1.00 0.00 H new ATOM 425 N GLY A 27 -11.063 -16.293 16.740 1.00 0.00 N ATOM 426 CA GLY A 27 -10.186 -15.288 16.074 1.00 0.00 C ATOM 427 C GLY A 27 -8.812 -15.903 15.800 1.00 0.00 C ATOM 428 O GLY A 27 -8.263 -16.612 16.619 1.00 0.00 O ATOM 0 H GLY A 27 -11.033 -16.287 17.760 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.640 -14.957 15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.081 -14.407 16.707 1.00 0.00 H new ATOM 432 N ASP A 28 -8.253 -15.633 14.652 1.00 0.00 N ATOM 433 CA ASP A 28 -6.913 -16.200 14.322 1.00 0.00 C ATOM 434 C ASP A 28 -5.859 -15.610 15.261 1.00 0.00 C ATOM 435 O ASP A 28 -4.730 -16.057 15.301 1.00 0.00 O ATOM 436 CB ASP A 28 -6.555 -15.854 12.875 1.00 0.00 C ATOM 437 CG ASP A 28 -6.664 -14.341 12.672 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.862 -13.645 13.653 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.548 -13.907 11.538 1.00 0.00 O ATOM 0 H ASP A 28 -8.665 -15.045 13.928 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.940 -17.283 14.443 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.543 -16.190 12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.224 -16.373 12.189 1.00 0.00 H new ATOM 444 N ASP A 29 -6.218 -14.610 16.018 1.00 0.00 N ATOM 445 CA ASP A 29 -5.233 -13.997 16.952 1.00 0.00 C ATOM 446 C ASP A 29 -5.221 -14.781 18.266 1.00 0.00 C ATOM 447 O ASP A 29 -4.640 -14.360 19.246 1.00 0.00 O ATOM 448 CB ASP A 29 -5.628 -12.546 17.228 1.00 0.00 C ATOM 449 CG ASP A 29 -5.392 -11.705 15.972 1.00 0.00 C ATOM 450 OD1 ASP A 29 -5.000 -12.276 14.968 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.605 -10.506 16.036 1.00 0.00 O ATOM 0 H ASP A 29 -7.148 -14.192 16.030 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.240 -14.024 16.503 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.676 -12.493 17.522 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.043 -12.150 18.059 1.00 0.00 H new ATOM 456 N GLY A 30 -5.860 -15.919 18.294 1.00 0.00 N ATOM 457 CA GLY A 30 -5.886 -16.726 19.545 1.00 0.00 C ATOM 458 C GLY A 30 -6.971 -16.182 20.477 1.00 0.00 C ATOM 459 O GLY A 30 -6.886 -16.303 21.683 1.00 0.00 O ATOM 0 H GLY A 30 -6.364 -16.324 17.505 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.082 -17.773 19.312 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.914 -16.686 20.037 1.00 0.00 H new ATOM 463 N GLN A 31 -7.992 -15.584 19.926 1.00 0.00 N ATOM 464 CA GLN A 31 -9.082 -15.033 20.778 1.00 0.00 C ATOM 465 C GLN A 31 -10.433 -15.497 20.236 1.00 0.00 C ATOM 466 O GLN A 31 -10.548 -15.905 19.099 1.00 0.00 O ATOM 467 CB GLN A 31 -9.026 -13.504 20.756 1.00 0.00 C ATOM 468 CG GLN A 31 -7.746 -13.028 21.444 1.00 0.00 C ATOM 469 CD GLN A 31 -7.670 -11.501 21.374 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.412 -10.878 20.641 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.799 -10.867 22.110 1.00 0.00 N ATOM 0 H GLN A 31 -8.118 -15.454 18.922 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.956 -15.387 21.801 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.054 -13.144 19.728 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.898 -13.091 21.262 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.735 -13.357 22.483 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.874 -13.469 20.961 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.176 -11.389 22.726 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.742 -9.849 22.070 1.00 0.00 H new ATOM 480 N THR A 32 -11.461 -15.435 21.038 1.00 0.00 N ATOM 481 CA THR A 32 -12.803 -15.871 20.562 1.00 0.00 C ATOM 482 C THR A 32 -13.792 -14.714 20.705 1.00 0.00 C ATOM 483 O THR A 32 -13.831 -14.038 21.713 1.00 0.00 O ATOM 484 CB THR A 32 -13.284 -17.057 21.399 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.378 -18.141 21.247 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.676 -17.479 20.929 1.00 0.00 C ATOM 0 H THR A 32 -11.429 -15.101 22.001 1.00 0.00 H new ATOM 0 HA THR A 32 -12.737 -16.169 19.516 1.00 0.00 H new ATOM 0 HB THR A 32 -13.329 -16.769 22.449 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.684 -18.901 21.784 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.020 -18.324 21.525 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.368 -16.646 21.048 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.633 -17.768 19.879 1.00 0.00 H new ATOM 494 N TYR A 33 -14.590 -14.480 19.701 1.00 0.00 N ATOM 495 CA TYR A 33 -15.575 -13.367 19.778 1.00 0.00 C ATOM 496 C TYR A 33 -16.992 -13.941 19.719 1.00 0.00 C ATOM 497 O TYR A 33 -17.339 -14.672 18.814 1.00 0.00 O ATOM 498 CB TYR A 33 -15.346 -12.413 18.606 1.00 0.00 C ATOM 499 CG TYR A 33 -13.907 -11.951 18.624 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.901 -12.778 18.110 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.578 -10.701 19.162 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.566 -12.355 18.134 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.242 -10.278 19.185 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.237 -11.105 18.672 1.00 0.00 C ATOM 505 OH TYR A 33 -9.921 -10.691 18.697 1.00 0.00 O ATOM 0 H TYR A 33 -14.602 -15.012 18.831 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.450 -12.822 20.714 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.569 -12.913 17.664 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.017 -11.558 18.680 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.154 -13.742 17.695 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.354 -10.063 19.559 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.790 -12.993 17.737 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.988 -9.313 19.599 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.533 -10.887 19.575 1.00 0.00 H new ATOM 515 N ASN A 34 -17.808 -13.622 20.686 1.00 0.00 N ATOM 516 CA ASN A 34 -19.198 -14.157 20.698 1.00 0.00 C ATOM 517 C ASN A 34 -19.848 -13.956 19.325 1.00 0.00 C ATOM 518 O ASN A 34 -19.922 -14.867 18.530 1.00 0.00 O ATOM 519 CB ASN A 34 -20.014 -13.441 21.780 1.00 0.00 C ATOM 520 CG ASN A 34 -21.287 -14.238 22.067 1.00 0.00 C ATOM 521 OD1 ASN A 34 -21.554 -15.232 21.422 1.00 0.00 O ATOM 522 ND2 ASN A 34 -22.090 -13.842 23.017 1.00 0.00 N ATOM 0 H ASN A 34 -17.571 -13.013 21.469 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.172 -15.224 20.919 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -19.422 -13.340 22.690 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.269 -12.433 21.452 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -22.941 -14.367 23.217 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -21.866 -13.007 23.559 1.00 0.00 H new ATOM 529 N ASN A 35 -20.323 -12.778 19.037 1.00 0.00 N ATOM 530 CA ASN A 35 -20.966 -12.539 17.713 1.00 0.00 C ATOM 531 C ASN A 35 -19.884 -12.299 16.658 1.00 0.00 C ATOM 532 O ASN A 35 -18.841 -11.744 16.943 1.00 0.00 O ATOM 533 CB ASN A 35 -21.880 -11.314 17.818 1.00 0.00 C ATOM 534 CG ASN A 35 -22.325 -10.864 16.427 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.511 -10.498 15.605 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.596 -10.873 16.129 1.00 0.00 N ATOM 0 H ASN A 35 -20.295 -11.970 19.659 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.557 -13.407 17.422 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.752 -11.553 18.427 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.354 -10.502 18.320 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.905 -10.572 15.205 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.280 -11.181 16.820 1.00 0.00 H new ATOM 543 N PRO A 36 -20.141 -12.728 15.412 1.00 0.00 N ATOM 544 CA PRO A 36 -19.193 -12.567 14.301 1.00 0.00 C ATOM 545 C PRO A 36 -18.921 -11.094 13.993 1.00 0.00 C ATOM 546 O PRO A 36 -17.786 -10.658 13.968 1.00 0.00 O ATOM 547 CB PRO A 36 -19.902 -13.246 13.126 1.00 0.00 C ATOM 548 CG PRO A 36 -21.344 -13.189 13.493 1.00 0.00 C ATOM 549 CD PRO A 36 -21.375 -13.399 14.979 1.00 0.00 C ATOM 0 HA PRO A 36 -18.217 -12.997 14.524 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.708 -12.725 12.188 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.564 -14.274 12.996 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.783 -12.229 13.221 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.914 -13.959 12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.261 -12.956 15.435 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.377 -14.457 15.241 1.00 0.00 H new ATOM 557 N CYS A 37 -19.946 -10.314 13.779 1.00 0.00 N ATOM 558 CA CYS A 37 -19.718 -8.872 13.500 1.00 0.00 C ATOM 559 C CYS A 37 -19.058 -8.246 14.729 1.00 0.00 C ATOM 560 O CYS A 37 -18.315 -7.290 14.634 1.00 0.00 O ATOM 561 CB CYS A 37 -21.052 -8.179 13.214 1.00 0.00 C ATOM 562 SG CYS A 37 -20.823 -6.383 13.249 1.00 0.00 S ATOM 0 H CYS A 37 -20.922 -10.611 13.786 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.075 -8.755 12.628 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.433 -8.488 12.241 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.794 -8.476 13.955 1.00 0.00 H new ATOM 567 N MET A 38 -19.313 -8.798 15.886 1.00 0.00 N ATOM 568 CA MET A 38 -18.692 -8.257 17.124 1.00 0.00 C ATOM 569 C MET A 38 -17.176 -8.447 17.038 1.00 0.00 C ATOM 570 O MET A 38 -16.423 -7.896 17.817 1.00 0.00 O ATOM 571 CB MET A 38 -19.237 -9.009 18.342 1.00 0.00 C ATOM 572 CG MET A 38 -20.411 -8.230 18.939 1.00 0.00 C ATOM 573 SD MET A 38 -19.828 -6.627 19.545 1.00 0.00 S ATOM 574 CE MET A 38 -18.829 -7.248 20.921 1.00 0.00 C ATOM 0 H MET A 38 -19.926 -9.601 16.024 1.00 0.00 H new ATOM 0 HA MET A 38 -18.927 -7.197 17.225 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.560 -10.008 18.051 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.452 -9.133 19.088 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.186 -8.086 18.186 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.860 -8.797 19.754 1.00 0.00 H new ATOM 0 HE1 MET A 38 -18.782 -6.493 21.706 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.281 -8.157 21.318 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.821 -7.468 20.569 1.00 0.00 H new ATOM 584 N LEU A 39 -16.723 -9.220 16.087 1.00 0.00 N ATOM 585 CA LEU A 39 -15.260 -9.447 15.935 1.00 0.00 C ATOM 586 C LEU A 39 -14.605 -8.162 15.444 1.00 0.00 C ATOM 587 O LEU A 39 -13.679 -7.658 16.050 1.00 0.00 O ATOM 588 CB LEU A 39 -15.030 -10.569 14.921 1.00 0.00 C ATOM 589 CG LEU A 39 -13.552 -10.618 14.531 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.735 -11.185 15.694 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.381 -11.511 13.301 1.00 0.00 C ATOM 0 H LEU A 39 -17.308 -9.705 15.407 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.823 -9.732 16.892 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.335 -11.525 15.347 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.644 -10.404 14.036 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.202 -9.612 14.301 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.682 -11.220 15.416 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.858 -10.548 16.570 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.082 -12.192 15.926 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.328 -11.547 13.021 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.730 -12.518 13.531 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.963 -11.105 12.473 1.00 0.00 H new ATOM 603 N CYS A 40 -15.081 -7.614 14.363 1.00 0.00 N ATOM 604 CA CYS A 40 -14.477 -6.349 13.870 1.00 0.00 C ATOM 605 C CYS A 40 -14.703 -5.268 14.925 1.00 0.00 C ATOM 606 O CYS A 40 -14.081 -4.224 14.907 1.00 0.00 O ATOM 607 CB CYS A 40 -15.111 -5.931 12.541 1.00 0.00 C ATOM 608 SG CYS A 40 -15.428 -7.394 11.522 1.00 0.00 S ATOM 0 H CYS A 40 -15.852 -7.982 13.806 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.410 -6.492 13.700 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.043 -5.396 12.725 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.449 -5.245 12.012 1.00 0.00 H new ATOM 613 N HIS A 41 -15.578 -5.525 15.863 1.00 0.00 N ATOM 614 CA HIS A 41 -15.831 -4.534 16.940 1.00 0.00 C ATOM 615 C HIS A 41 -14.575 -4.431 17.800 1.00 0.00 C ATOM 616 O HIS A 41 -14.017 -3.368 17.982 1.00 0.00 O ATOM 617 CB HIS A 41 -17.000 -5.007 17.802 1.00 0.00 C ATOM 618 CG HIS A 41 -17.663 -3.822 18.446 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.182 -2.773 17.705 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.900 -3.505 19.761 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.700 -1.882 18.570 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.554 -2.280 19.838 1.00 0.00 N ATOM 0 H HIS A 41 -16.127 -6.382 15.926 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.075 -3.563 16.510 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.720 -5.551 17.190 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.645 -5.698 18.567 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.621 -4.115 20.607 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -19.176 -0.958 18.276 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -18.857 -1.791 20.680 1.00 0.00 H new ATOM 630 N GLU A 42 -14.113 -5.539 18.316 1.00 0.00 N ATOM 631 CA GLU A 42 -12.880 -5.507 19.145 1.00 0.00 C ATOM 632 C GLU A 42 -11.704 -5.142 18.243 1.00 0.00 C ATOM 633 O GLU A 42 -10.672 -4.688 18.695 1.00 0.00 O ATOM 634 CB GLU A 42 -12.642 -6.884 19.768 1.00 0.00 C ATOM 635 CG GLU A 42 -11.616 -6.761 20.897 1.00 0.00 C ATOM 636 CD GLU A 42 -11.491 -8.102 21.621 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.477 -8.819 21.674 1.00 0.00 O ATOM 638 OE2 GLU A 42 -10.412 -8.391 22.111 1.00 0.00 O ATOM 0 H GLU A 42 -14.536 -6.460 18.198 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.984 -4.772 19.943 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.578 -7.287 20.155 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.284 -7.581 19.010 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.649 -6.462 20.493 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.922 -5.984 21.598 1.00 0.00 H new ATOM 645 N ASN A 43 -11.862 -5.332 16.960 1.00 0.00 N ATOM 646 CA ASN A 43 -10.764 -4.990 16.015 1.00 0.00 C ATOM 647 C ASN A 43 -10.720 -3.473 15.835 1.00 0.00 C ATOM 648 O ASN A 43 -9.673 -2.892 15.627 1.00 0.00 O ATOM 649 CB ASN A 43 -11.021 -5.662 14.664 1.00 0.00 C ATOM 650 CG ASN A 43 -10.938 -7.182 14.828 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.312 -7.672 15.746 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.549 -7.953 13.970 1.00 0.00 N ATOM 0 H ASN A 43 -12.705 -5.709 16.527 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.812 -5.342 16.412 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.003 -5.379 14.286 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.288 -5.324 13.932 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.501 -8.967 14.071 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.075 -7.542 13.199 1.00 0.00 H new ATOM 659 N LEU A 44 -11.850 -2.824 15.923 1.00 0.00 N ATOM 660 CA LEU A 44 -11.870 -1.344 15.771 1.00 0.00 C ATOM 661 C LEU A 44 -11.145 -0.720 16.964 1.00 0.00 C ATOM 662 O LEU A 44 -10.538 0.327 16.858 1.00 0.00 O ATOM 663 CB LEU A 44 -13.317 -0.849 15.733 1.00 0.00 C ATOM 664 CG LEU A 44 -13.331 0.674 15.593 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.413 1.089 14.441 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.757 1.150 15.305 1.00 0.00 C ATOM 0 H LEU A 44 -12.758 -3.256 16.093 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.374 -1.059 14.843 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.847 -1.307 14.898 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.838 -1.146 16.643 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.979 1.126 16.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.423 2.174 14.341 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.397 0.753 14.646 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.765 0.636 13.514 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.765 2.235 15.206 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.111 0.698 14.379 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.411 0.856 16.126 1.00 0.00 H new ATOM 678 N ILE A 45 -11.198 -1.365 18.096 1.00 0.00 N ATOM 679 CA ILE A 45 -10.504 -0.822 19.298 1.00 0.00 C ATOM 680 C ILE A 45 -9.008 -1.115 19.180 1.00 0.00 C ATOM 681 O ILE A 45 -8.176 -0.264 19.428 1.00 0.00 O ATOM 682 CB ILE A 45 -11.058 -1.486 20.562 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.533 -1.845 20.354 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.927 -0.519 21.741 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.179 -2.179 21.701 1.00 0.00 C ATOM 0 H ILE A 45 -11.692 -2.245 18.241 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.668 0.254 19.361 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.494 -2.395 20.771 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.057 -1.012 19.885 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.618 -2.696 19.678 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.321 -0.989 22.642 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.877 -0.269 21.891 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.490 0.390 21.530 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.228 -2.434 21.548 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.662 -3.026 22.152 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.108 -1.316 22.363 1.00 0.00 H new ATOM 697 N ARG A 46 -8.661 -2.314 18.794 1.00 0.00 N ATOM 698 CA ARG A 46 -7.219 -2.664 18.651 1.00 0.00 C ATOM 699 C ARG A 46 -6.701 -2.126 17.314 1.00 0.00 C ATOM 700 O ARG A 46 -5.513 -1.971 17.115 1.00 0.00 O ATOM 701 CB ARG A 46 -7.058 -4.186 18.687 1.00 0.00 C ATOM 702 CG ARG A 46 -7.507 -4.714 20.051 1.00 0.00 C ATOM 703 CD ARG A 46 -7.293 -6.229 20.108 1.00 0.00 C ATOM 704 NE ARG A 46 -7.887 -6.766 21.364 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.477 -6.324 22.520 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.483 -6.912 23.129 1.00 0.00 N ATOM 707 NH2 ARG A 46 -8.058 -5.291 23.066 1.00 0.00 N ATOM 0 H ARG A 46 -9.314 -3.065 18.572 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.650 -2.221 19.469 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.650 -4.644 17.895 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.018 -4.457 18.505 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.942 -4.226 20.845 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.558 -4.478 20.216 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.754 -6.705 19.242 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.228 -6.459 20.069 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.615 -7.480 21.320 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.027 -7.717 22.700 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.162 -6.566 24.033 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.832 -4.830 22.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.738 -4.945 23.970 1.00 0.00 H new ATOM 721 N GLN A 47 -7.588 -1.840 16.400 1.00 0.00 N ATOM 722 CA GLN A 47 -7.157 -1.310 15.075 1.00 0.00 C ATOM 723 C GLN A 47 -6.313 -2.361 14.350 1.00 0.00 C ATOM 724 O GLN A 47 -5.350 -2.043 13.680 1.00 0.00 O ATOM 725 CB GLN A 47 -6.330 -0.038 15.275 1.00 0.00 C ATOM 726 CG GLN A 47 -7.197 1.035 15.937 1.00 0.00 C ATOM 727 CD GLN A 47 -6.377 2.314 16.117 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.168 2.295 15.998 1.00 0.00 O ATOM 729 NE2 GLN A 47 -6.989 3.431 16.399 1.00 0.00 N ATOM 0 H GLN A 47 -8.595 -1.951 16.514 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.038 -1.078 14.476 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.459 -0.251 15.895 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.958 0.321 14.316 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.076 1.237 15.324 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.557 0.682 16.903 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.004 3.445 16.499 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.452 4.290 16.520 1.00 0.00 H new ATOM 738 N THR A 48 -6.669 -3.610 14.474 1.00 0.00 N ATOM 739 CA THR A 48 -5.889 -4.678 13.787 1.00 0.00 C ATOM 740 C THR A 48 -6.778 -5.366 12.749 1.00 0.00 C ATOM 741 O THR A 48 -7.963 -5.111 12.666 1.00 0.00 O ATOM 742 CB THR A 48 -5.417 -5.707 14.817 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.508 -6.541 15.185 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.885 -4.984 16.055 1.00 0.00 C ATOM 0 H THR A 48 -7.466 -3.937 15.021 1.00 0.00 H new ATOM 0 HA THR A 48 -5.024 -4.237 13.292 1.00 0.00 H new ATOM 0 HB THR A 48 -4.623 -6.316 14.386 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.303 -7.470 14.952 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.549 -5.717 16.788 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.049 -4.345 15.772 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.677 -4.374 16.489 1.00 0.00 H new ATOM 752 N ASN A 49 -6.217 -6.235 11.956 1.00 0.00 N ATOM 753 CA ASN A 49 -7.033 -6.934 10.924 1.00 0.00 C ATOM 754 C ASN A 49 -7.230 -8.395 11.333 1.00 0.00 C ATOM 755 O ASN A 49 -6.825 -9.304 10.636 1.00 0.00 O ATOM 756 CB ASN A 49 -6.314 -6.870 9.577 1.00 0.00 C ATOM 757 CG ASN A 49 -6.240 -5.415 9.109 1.00 0.00 C ATOM 758 OD1 ASN A 49 -6.935 -4.562 9.627 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.422 -5.092 8.146 1.00 0.00 N ATOM 0 H ASN A 49 -5.230 -6.492 11.977 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.005 -6.449 10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.311 -7.286 9.668 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.844 -7.474 8.840 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.365 -4.125 7.828 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.839 -5.807 7.711 1.00 0.00 H new ATOM 766 N THR A 50 -7.850 -8.628 12.457 1.00 0.00 N ATOM 767 CA THR A 50 -8.073 -10.030 12.908 1.00 0.00 C ATOM 768 C THR A 50 -9.189 -10.662 12.079 1.00 0.00 C ATOM 769 O THR A 50 -10.213 -10.055 11.831 1.00 0.00 O ATOM 770 CB THR A 50 -8.476 -10.038 14.385 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.497 -9.343 15.145 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.581 -11.483 14.881 1.00 0.00 C ATOM 0 H THR A 50 -8.212 -7.908 13.082 1.00 0.00 H new ATOM 0 HA THR A 50 -7.153 -10.599 12.778 1.00 0.00 H new ATOM 0 HB THR A 50 -9.442 -9.547 14.501 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.628 -9.784 15.041 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.868 -11.487 15.933 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.333 -12.014 14.298 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.617 -11.978 14.766 1.00 0.00 H new ATOM 780 N HIS A 51 -9.003 -11.878 11.649 1.00 0.00 N ATOM 781 CA HIS A 51 -10.055 -12.551 10.840 1.00 0.00 C ATOM 782 C HIS A 51 -10.602 -13.747 11.620 1.00 0.00 C ATOM 783 O HIS A 51 -10.098 -14.099 12.668 1.00 0.00 O ATOM 784 CB HIS A 51 -9.450 -13.036 9.520 1.00 0.00 C ATOM 785 CG HIS A 51 -8.629 -11.934 8.911 1.00 0.00 C ATOM 786 ND1 HIS A 51 -9.207 -10.830 8.304 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.271 -11.749 8.811 1.00 0.00 C ATOM 788 CE1 HIS A 51 -8.209 -10.038 7.869 1.00 0.00 C ATOM 789 NE2 HIS A 51 -7.009 -10.551 8.153 1.00 0.00 N ATOM 0 H HIS A 51 -8.167 -12.435 11.823 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.863 -11.849 10.632 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.828 -13.914 9.693 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.241 -13.337 8.833 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.521 -12.430 9.186 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.360 -9.101 7.353 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.097 -10.151 7.935 1.00 0.00 H new ATOM 797 N ILE A 52 -11.628 -14.376 11.119 1.00 0.00 N ATOM 798 CA ILE A 52 -12.199 -15.549 11.837 1.00 0.00 C ATOM 799 C ILE A 52 -11.339 -16.780 11.556 1.00 0.00 C ATOM 800 O ILE A 52 -11.114 -17.150 10.421 1.00 0.00 O ATOM 801 CB ILE A 52 -13.624 -15.807 11.351 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.479 -14.562 11.593 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.205 -16.990 12.126 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.947 -14.890 11.317 1.00 0.00 C ATOM 0 H ILE A 52 -12.095 -14.130 10.246 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.214 -15.346 12.908 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.617 -16.034 10.285 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.359 -14.219 12.621 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.149 -13.750 10.946 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.223 -17.183 11.787 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.591 -17.874 11.954 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.216 -16.757 13.191 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.557 -14.003 11.489 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.059 -15.212 10.282 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.273 -15.689 11.983 1.00 0.00 H new ATOM 816 N ARG A 53 -10.856 -17.416 12.584 1.00 0.00 N ATOM 817 CA ARG A 53 -10.008 -18.625 12.388 1.00 0.00 C ATOM 818 C ARG A 53 -10.903 -19.834 12.124 1.00 0.00 C ATOM 819 O ARG A 53 -10.679 -20.600 11.209 1.00 0.00 O ATOM 820 CB ARG A 53 -9.179 -18.869 13.649 1.00 0.00 C ATOM 821 CG ARG A 53 -8.451 -20.208 13.531 1.00 0.00 C ATOM 822 CD ARG A 53 -7.561 -20.418 14.757 1.00 0.00 C ATOM 823 NE ARG A 53 -6.727 -21.637 14.559 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.437 -22.402 15.576 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.057 -23.540 15.733 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.527 -22.031 16.434 1.00 0.00 N ATOM 0 H ARG A 53 -11.012 -17.150 13.556 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.343 -18.473 11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.459 -18.062 13.785 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.825 -18.871 14.527 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.173 -21.020 13.450 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.848 -20.227 12.624 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.923 -19.548 14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.174 -20.525 15.652 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.383 -21.874 13.628 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.767 -23.831 15.061 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.831 -24.139 16.527 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.042 -21.142 16.310 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.301 -22.629 17.228 1.00 0.00 H new ATOM 840 N SER A 54 -11.917 -20.006 12.922 1.00 0.00 N ATOM 841 CA SER A 54 -12.834 -21.161 12.726 1.00 0.00 C ATOM 842 C SER A 54 -14.208 -20.812 13.298 1.00 0.00 C ATOM 843 O SER A 54 -14.323 -20.059 14.244 1.00 0.00 O ATOM 844 CB SER A 54 -12.274 -22.389 13.447 1.00 0.00 C ATOM 845 OG SER A 54 -12.596 -23.558 12.708 1.00 0.00 O ATOM 0 H SER A 54 -12.151 -19.395 13.704 1.00 0.00 H new ATOM 0 HA SER A 54 -12.925 -21.381 11.662 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.193 -22.300 13.554 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.690 -22.455 14.452 1.00 0.00 H new ATOM 0 HG SER A 54 -12.236 -24.345 13.168 1.00 0.00 H new ATOM 851 N THR A 55 -15.252 -21.350 12.732 1.00 0.00 N ATOM 852 CA THR A 55 -16.614 -21.041 13.248 1.00 0.00 C ATOM 853 C THR A 55 -16.772 -21.619 14.654 1.00 0.00 C ATOM 854 O THR A 55 -16.267 -22.681 14.961 1.00 0.00 O ATOM 855 CB THR A 55 -17.664 -21.655 12.319 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.654 -23.069 12.467 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.344 -21.288 10.869 1.00 0.00 C ATOM 0 H THR A 55 -15.221 -21.988 11.937 1.00 0.00 H new ATOM 0 HA THR A 55 -16.751 -19.960 13.285 1.00 0.00 H new ATOM 0 HB THR A 55 -18.650 -21.269 12.578 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.327 -23.465 11.874 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.093 -21.726 10.209 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.352 -20.204 10.758 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.359 -21.672 10.605 1.00 0.00 H new ATOM 865 N GLY A 56 -17.468 -20.926 15.512 1.00 0.00 N ATOM 866 CA GLY A 56 -17.658 -21.429 16.900 1.00 0.00 C ATOM 867 C GLY A 56 -16.533 -20.902 17.788 1.00 0.00 C ATOM 868 O GLY A 56 -15.543 -20.382 17.312 1.00 0.00 O ATOM 0 H GLY A 56 -17.914 -20.031 15.311 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.624 -21.105 17.287 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.661 -22.519 16.907 1.00 0.00 H new ATOM 872 N LYS A 57 -16.676 -21.032 19.075 1.00 0.00 N ATOM 873 CA LYS A 57 -15.614 -20.540 19.997 1.00 0.00 C ATOM 874 C LYS A 57 -14.437 -21.516 19.986 1.00 0.00 C ATOM 875 O LYS A 57 -14.578 -22.680 20.304 1.00 0.00 O ATOM 876 CB LYS A 57 -16.172 -20.436 21.417 1.00 0.00 C ATOM 877 CG LYS A 57 -17.223 -19.327 21.478 1.00 0.00 C ATOM 878 CD LYS A 57 -17.257 -18.738 22.890 1.00 0.00 C ATOM 879 CE LYS A 57 -18.446 -17.785 23.020 1.00 0.00 C ATOM 880 NZ LYS A 57 -18.784 -17.607 24.460 1.00 0.00 N ATOM 0 H LYS A 57 -17.483 -21.458 19.531 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.278 -19.557 19.667 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.615 -21.387 21.715 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.366 -20.226 22.120 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.989 -18.548 20.752 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.203 -19.724 21.214 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.337 -19.538 23.627 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.328 -18.207 23.096 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.205 -16.822 22.570 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.305 -18.183 22.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.593 -16.959 24.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.031 -18.528 24.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.965 -17.209 24.962 1.00 0.00 H new ATOM 894 N CYS A 58 -13.275 -21.049 19.628 1.00 0.00 N ATOM 895 CA CYS A 58 -12.087 -21.947 19.602 1.00 0.00 C ATOM 896 C CYS A 58 -12.055 -22.793 20.875 1.00 0.00 C ATOM 897 O CYS A 58 -11.653 -23.939 20.863 1.00 0.00 O ATOM 898 CB CYS A 58 -10.819 -21.100 19.529 1.00 0.00 C ATOM 899 SG CYS A 58 -10.052 -21.294 17.900 1.00 0.00 S ATOM 0 H CYS A 58 -13.096 -20.084 19.352 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.145 -22.602 18.733 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.059 -20.052 19.707 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.121 -21.404 20.309 1.00 0.00 H new