USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 681 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 55 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.7) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.00926) USER MOD Set 2.1: A 20 MET CE :methyl 140:sc= -1.2 (180deg=-5.57!) USER MOD Set 2.2: A 60 TYR OH : rot 78:sc= 0.178 USER MOD Single : A 9 SER OG : rot 180:sc= -1.03 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.09 K(o=-2.1,f=-4.1!) USER MOD Single : A 17 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -167:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot -44:sc= 0.754 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 148:sc= -3.02 (180deg=-6.26!) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0.549 (180deg=0.406) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.654 K(o=-0.65,f=-2.2) USER MOD Single : A 50 TYR OH : rot 150:sc= -0.0206 USER MOD Single : A 54 GLN : amide:sc= -5.28! C(o=-5.3!,f=-6!) USER MOD Single : A 65 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.5!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=-0.0095) USER MOD Single : A 71 SER OG : rot 130:sc= -0.274 USER MOD Single : A 76 GLN : amide:sc= -0.0136 K(o=-0.014,f=-0.54) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.042) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N SER A 9 -12.765 -6.137 -5.085 1.00 0.00 N ATOM 135 CA SER A 9 -13.627 -7.285 -4.864 1.00 0.00 C ATOM 136 C SER A 9 -13.013 -8.205 -3.807 1.00 0.00 C ATOM 137 O SER A 9 -11.927 -7.933 -3.298 1.00 0.00 O ATOM 138 CB SER A 9 -13.862 -8.056 -6.165 1.00 0.00 C ATOM 139 OG SER A 9 -15.249 -8.182 -6.467 1.00 0.00 O ATOM 0 HA SER A 9 -14.592 -6.924 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.357 -7.546 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.417 -9.048 -6.084 1.00 0.00 H new ATOM 0 HG SER A 9 -15.358 -8.678 -7.305 1.00 0.00 H new ATOM 145 N PRO A 10 -13.755 -9.302 -3.499 1.00 0.00 N ATOM 146 CA PRO A 10 -13.295 -10.263 -2.511 1.00 0.00 C ATOM 147 C PRO A 10 -12.174 -11.137 -3.076 1.00 0.00 C ATOM 148 O PRO A 10 -11.629 -11.986 -2.372 1.00 0.00 O ATOM 149 CB PRO A 10 -14.534 -11.058 -2.129 1.00 0.00 C ATOM 150 CG PRO A 10 -15.537 -10.829 -3.248 1.00 0.00 C ATOM 151 CD PRO A 10 -15.047 -9.656 -4.081 1.00 0.00 C ATOM 0 HA PRO A 10 -12.857 -9.787 -1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.301 -12.118 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.933 -10.723 -1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.631 -11.723 -3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.525 -10.620 -2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.946 -9.931 -5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.744 -8.819 -4.036 1.00 0.00 H new ATOM 159 N SER A 11 -11.863 -10.899 -4.342 1.00 0.00 N ATOM 160 CA SER A 11 -10.816 -11.654 -5.010 1.00 0.00 C ATOM 161 C SER A 11 -9.443 -11.115 -4.606 1.00 0.00 C ATOM 162 O SER A 11 -8.542 -11.885 -4.277 1.00 0.00 O ATOM 163 CB SER A 11 -10.982 -11.599 -6.530 1.00 0.00 C ATOM 164 OG SER A 11 -11.291 -12.877 -7.080 1.00 0.00 O ATOM 0 H SER A 11 -12.318 -10.194 -4.923 1.00 0.00 H new ATOM 0 HA SER A 11 -10.895 -12.696 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.774 -10.894 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.064 -11.222 -6.982 1.00 0.00 H new ATOM 0 HG SER A 11 -11.391 -12.799 -8.052 1.00 0.00 H new ATOM 170 N ASP A 12 -9.326 -9.795 -4.643 1.00 0.00 N ATOM 171 CA ASP A 12 -8.078 -9.144 -4.285 1.00 0.00 C ATOM 172 C ASP A 12 -7.908 -9.177 -2.765 1.00 0.00 C ATOM 173 O ASP A 12 -6.806 -9.397 -2.265 1.00 0.00 O ATOM 174 CB ASP A 12 -8.073 -7.680 -4.730 1.00 0.00 C ATOM 175 CG ASP A 12 -7.300 -7.398 -6.020 1.00 0.00 C ATOM 176 OD1 ASP A 12 -6.995 -8.384 -6.725 1.00 0.00 O ATOM 177 OD2 ASP A 12 -7.032 -6.204 -6.271 1.00 0.00 O ATOM 0 H ASP A 12 -10.076 -9.159 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.266 -9.675 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.104 -7.353 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.648 -7.074 -3.930 1.00 0.00 H new ATOM 182 N PHE A 13 -9.016 -8.956 -2.073 1.00 0.00 N ATOM 183 CA PHE A 13 -9.003 -8.958 -0.620 1.00 0.00 C ATOM 184 C PHE A 13 -8.675 -10.350 -0.076 1.00 0.00 C ATOM 185 O PHE A 13 -7.852 -10.490 0.827 1.00 0.00 O ATOM 186 CB PHE A 13 -10.407 -8.561 -0.160 1.00 0.00 C ATOM 187 CG PHE A 13 -10.439 -7.829 1.183 1.00 0.00 C ATOM 188 CD1 PHE A 13 -10.214 -8.515 2.336 1.00 0.00 C ATOM 189 CD2 PHE A 13 -10.691 -6.494 1.224 1.00 0.00 C ATOM 190 CE1 PHE A 13 -10.244 -7.835 3.583 1.00 0.00 C ATOM 191 CE2 PHE A 13 -10.720 -5.814 2.470 1.00 0.00 C ATOM 192 CZ PHE A 13 -10.496 -6.499 3.624 1.00 0.00 C ATOM 0 H PHE A 13 -9.928 -8.774 -2.491 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.244 -8.267 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.860 -7.924 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.022 -9.458 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.013 -9.576 2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.869 -5.950 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.067 -8.379 4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -10.920 -4.753 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 13 -10.518 -5.982 4.572 1.00 0.00 H new ATOM 202 N ALA A 14 -9.337 -11.345 -0.649 1.00 0.00 N ATOM 203 CA ALA A 14 -9.126 -12.721 -0.234 1.00 0.00 C ATOM 204 C ALA A 14 -7.654 -13.090 -0.432 1.00 0.00 C ATOM 205 O ALA A 14 -7.049 -13.727 0.428 1.00 0.00 O ATOM 206 CB ALA A 14 -10.067 -13.640 -1.014 1.00 0.00 C ATOM 0 H ALA A 14 -10.020 -11.225 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.356 -12.841 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.908 -14.672 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.100 -13.356 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.864 -13.548 -2.081 1.00 0.00 H new ATOM 212 N GLN A 15 -7.121 -12.673 -1.571 1.00 0.00 N ATOM 213 CA GLN A 15 -5.732 -12.951 -1.893 1.00 0.00 C ATOM 214 C GLN A 15 -4.806 -12.275 -0.879 1.00 0.00 C ATOM 215 O GLN A 15 -3.916 -12.916 -0.323 1.00 0.00 O ATOM 216 CB GLN A 15 -5.400 -12.507 -3.319 1.00 0.00 C ATOM 217 CG GLN A 15 -3.969 -12.896 -3.696 1.00 0.00 C ATOM 218 CD GLN A 15 -3.866 -14.396 -3.982 1.00 0.00 C ATOM 219 OE1 GLN A 15 -4.070 -15.234 -3.120 1.00 0.00 O ATOM 220 NE2 GLN A 15 -3.540 -14.685 -5.239 1.00 0.00 N ATOM 0 H GLN A 15 -7.626 -12.145 -2.282 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.575 -14.028 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.101 -12.963 -4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.522 -11.427 -3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.654 -12.332 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.290 -12.629 -2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.383 -13.934 -5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.447 -15.658 -5.531 1.00 0.00 H new ATOM 229 N LEU A 16 -5.048 -10.989 -0.670 1.00 0.00 N ATOM 230 CA LEU A 16 -4.248 -10.220 0.267 1.00 0.00 C ATOM 231 C LEU A 16 -4.439 -10.783 1.677 1.00 0.00 C ATOM 232 O LEU A 16 -3.475 -10.931 2.426 1.00 0.00 O ATOM 233 CB LEU A 16 -4.571 -8.729 0.151 1.00 0.00 C ATOM 234 CG LEU A 16 -3.612 -7.899 -0.705 1.00 0.00 C ATOM 235 CD1 LEU A 16 -4.206 -6.524 -1.017 1.00 0.00 C ATOM 236 CD2 LEU A 16 -2.238 -7.793 -0.043 1.00 0.00 C ATOM 0 H LEU A 16 -5.787 -10.461 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.189 -10.312 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.575 -8.626 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.592 -8.303 1.154 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.472 -8.412 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.504 -5.954 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.142 -6.647 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.395 -5.990 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.576 -7.198 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.339 -7.315 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.818 -8.791 0.085 1.00 0.00 H new ATOM 248 N GLN A 17 -5.690 -11.080 1.996 1.00 0.00 N ATOM 249 CA GLN A 17 -6.020 -11.623 3.302 1.00 0.00 C ATOM 250 C GLN A 17 -5.356 -12.988 3.493 1.00 0.00 C ATOM 251 O GLN A 17 -4.958 -13.339 4.603 1.00 0.00 O ATOM 252 CB GLN A 17 -7.536 -11.720 3.489 1.00 0.00 C ATOM 253 CG GLN A 17 -7.908 -11.705 4.973 1.00 0.00 C ATOM 254 CD GLN A 17 -9.426 -11.653 5.158 1.00 0.00 C ATOM 255 OE1 GLN A 17 -10.028 -10.597 5.264 1.00 0.00 O ATOM 256 NE2 GLN A 17 -10.008 -12.848 5.190 1.00 0.00 N ATOM 0 H GLN A 17 -6.487 -10.955 1.372 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.636 -10.944 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.023 -10.888 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.905 -12.636 3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.509 -12.595 5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.449 -10.843 5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.444 -13.693 5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.018 -12.920 5.309 1.00 0.00 H new ATOM 265 N LYS A 18 -5.258 -13.721 2.394 1.00 0.00 N ATOM 266 CA LYS A 18 -4.649 -15.040 2.426 1.00 0.00 C ATOM 267 C LYS A 18 -3.133 -14.894 2.577 1.00 0.00 C ATOM 268 O LYS A 18 -2.508 -15.628 3.341 1.00 0.00 O ATOM 269 CB LYS A 18 -5.069 -15.855 1.201 1.00 0.00 C ATOM 270 CG LYS A 18 -4.886 -17.353 1.450 1.00 0.00 C ATOM 271 CD LYS A 18 -3.486 -17.811 1.033 1.00 0.00 C ATOM 272 CE LYS A 18 -2.969 -18.909 1.963 1.00 0.00 C ATOM 273 NZ LYS A 18 -1.962 -19.744 1.270 1.00 0.00 N ATOM 0 H LYS A 18 -5.590 -13.427 1.476 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.004 -15.602 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.112 -15.647 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.477 -15.551 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.045 -17.572 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.637 -17.913 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.511 -18.180 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.802 -16.963 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.528 -18.461 2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.799 -19.532 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.621 -20.485 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.394 -20.186 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.162 -19.149 0.973 1.00 0.00 H new ATOM 287 N TYR A 19 -2.586 -13.942 1.836 1.00 0.00 N ATOM 288 CA TYR A 19 -1.156 -13.690 1.878 1.00 0.00 C ATOM 289 C TYR A 19 -0.754 -13.026 3.197 1.00 0.00 C ATOM 290 O TYR A 19 0.136 -13.511 3.894 1.00 0.00 O ATOM 291 CB TYR A 19 -0.863 -12.726 0.726 1.00 0.00 C ATOM 292 CG TYR A 19 -0.686 -13.413 -0.630 1.00 0.00 C ATOM 293 CD1 TYR A 19 0.034 -14.587 -0.719 1.00 0.00 C ATOM 294 CD2 TYR A 19 -1.245 -12.858 -1.763 1.00 0.00 C ATOM 295 CE1 TYR A 19 0.201 -15.234 -1.995 1.00 0.00 C ATOM 296 CE2 TYR A 19 -1.077 -13.504 -3.039 1.00 0.00 C ATOM 297 CZ TYR A 19 -0.363 -14.660 -3.092 1.00 0.00 C ATOM 298 OH TYR A 19 -0.205 -15.270 -4.297 1.00 0.00 O ATOM 0 H TYR A 19 -3.108 -13.336 1.203 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.600 -14.624 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.677 -12.005 0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.041 -12.163 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.472 -15.020 0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.808 -11.939 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.761 -16.154 -2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.508 -13.080 -3.934 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.662 -14.749 -4.990 1.00 0.00 H new ATOM 308 N MET A 20 -1.430 -11.927 3.499 1.00 0.00 N ATOM 309 CA MET A 20 -1.154 -11.192 4.722 1.00 0.00 C ATOM 310 C MET A 20 -1.399 -12.066 5.954 1.00 0.00 C ATOM 311 O MET A 20 -0.869 -11.791 7.029 1.00 0.00 O ATOM 312 CB MET A 20 -2.052 -9.955 4.787 1.00 0.00 C ATOM 313 CG MET A 20 -3.458 -10.322 5.265 1.00 0.00 C ATOM 314 SD MET A 20 -3.589 -10.066 7.027 1.00 0.00 S ATOM 315 CE MET A 20 -3.215 -8.323 7.117 1.00 0.00 C ATOM 0 H MET A 20 -2.168 -11.528 2.918 1.00 0.00 H new ATOM 0 HA MET A 20 -0.106 -10.892 4.715 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.615 -9.219 5.462 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.109 -9.490 3.803 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.198 -9.714 4.745 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.673 -11.363 5.023 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.868 -7.848 7.849 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.176 -8.189 7.417 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.372 -7.866 6.140 1.00 0.00 H new ATOM 325 N GLU A 21 -2.202 -13.101 5.756 1.00 0.00 N ATOM 326 CA GLU A 21 -2.524 -14.016 6.837 1.00 0.00 C ATOM 327 C GLU A 21 -1.244 -14.610 7.428 1.00 0.00 C ATOM 328 O GLU A 21 -1.023 -14.541 8.636 1.00 0.00 O ATOM 329 CB GLU A 21 -3.470 -15.119 6.359 1.00 0.00 C ATOM 330 CG GLU A 21 -4.885 -14.901 6.899 1.00 0.00 C ATOM 331 CD GLU A 21 -5.293 -16.035 7.842 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.450 -16.398 8.691 1.00 0.00 O ATOM 333 OE2 GLU A 21 -6.438 -16.512 7.693 1.00 0.00 O ATOM 0 H GLU A 21 -2.639 -13.326 4.862 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.037 -13.457 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.492 -15.137 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.098 -16.090 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.934 -13.949 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.590 -14.842 6.069 1.00 0.00 H new ATOM 340 N TYR A 22 -0.433 -15.179 6.549 1.00 0.00 N ATOM 341 CA TYR A 22 0.820 -15.785 6.968 1.00 0.00 C ATOM 342 C TYR A 22 1.769 -14.735 7.550 1.00 0.00 C ATOM 343 O TYR A 22 2.669 -15.065 8.320 1.00 0.00 O ATOM 344 CB TYR A 22 1.446 -16.377 5.704 1.00 0.00 C ATOM 345 CG TYR A 22 1.904 -17.829 5.858 1.00 0.00 C ATOM 346 CD1 TYR A 22 2.809 -18.166 6.844 1.00 0.00 C ATOM 347 CD2 TYR A 22 1.412 -18.801 5.011 1.00 0.00 C ATOM 348 CE1 TYR A 22 3.239 -19.533 6.989 1.00 0.00 C ATOM 349 CE2 TYR A 22 1.843 -20.167 5.156 1.00 0.00 C ATOM 350 CZ TYR A 22 2.735 -20.466 6.137 1.00 0.00 C ATOM 351 OH TYR A 22 3.142 -21.756 6.274 1.00 0.00 O ATOM 0 H TYR A 22 -0.619 -15.233 5.548 1.00 0.00 H new ATOM 0 HA TYR A 22 0.644 -16.536 7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.722 -16.319 4.891 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.301 -15.766 5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.195 -17.405 7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.704 -18.537 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.946 -19.811 7.757 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.466 -20.937 4.500 1.00 0.00 H new ATOM 0 HH TYR A 22 2.700 -22.312 5.599 1.00 0.00 H new ATOM 361 N SER A 23 1.535 -13.491 7.158 1.00 0.00 N ATOM 362 CA SER A 23 2.357 -12.390 7.630 1.00 0.00 C ATOM 363 C SER A 23 1.772 -11.817 8.923 1.00 0.00 C ATOM 364 O SER A 23 0.646 -11.322 8.933 1.00 0.00 O ATOM 365 CB SER A 23 2.474 -11.294 6.569 1.00 0.00 C ATOM 366 OG SER A 23 3.820 -11.111 6.136 1.00 0.00 O ATOM 0 H SER A 23 0.787 -13.221 6.519 1.00 0.00 H new ATOM 0 HA SER A 23 3.358 -12.772 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.850 -11.550 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.092 -10.356 6.973 1.00 0.00 H new ATOM 0 HG SER A 23 3.887 -10.282 5.617 1.00 0.00 H new ATOM 372 N THR A 24 2.564 -11.902 9.982 1.00 0.00 N ATOM 373 CA THR A 24 2.139 -11.398 11.277 1.00 0.00 C ATOM 374 C THR A 24 3.071 -10.279 11.746 1.00 0.00 C ATOM 375 O THR A 24 3.057 -9.905 12.917 1.00 0.00 O ATOM 376 CB THR A 24 2.073 -12.580 12.246 1.00 0.00 C ATOM 377 OG1 THR A 24 1.426 -12.048 13.399 1.00 0.00 O ATOM 378 CG2 THR A 24 3.454 -12.999 12.753 1.00 0.00 C ATOM 0 H THR A 24 3.498 -12.312 9.970 1.00 0.00 H new ATOM 0 HA THR A 24 1.147 -10.950 11.221 1.00 0.00 H new ATOM 0 HB THR A 24 1.595 -13.427 11.754 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.805 -11.169 13.610 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.350 -13.841 13.437 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.078 -13.292 11.909 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.919 -12.163 13.275 1.00 0.00 H new ATOM 386 N LYS A 25 3.859 -9.777 10.807 1.00 0.00 N ATOM 387 CA LYS A 25 4.796 -8.708 11.109 1.00 0.00 C ATOM 388 C LYS A 25 4.030 -7.392 11.263 1.00 0.00 C ATOM 389 O LYS A 25 2.805 -7.366 11.149 1.00 0.00 O ATOM 390 CB LYS A 25 5.905 -8.654 10.056 1.00 0.00 C ATOM 391 CG LYS A 25 7.200 -9.268 10.592 1.00 0.00 C ATOM 392 CD LYS A 25 8.249 -8.187 10.862 1.00 0.00 C ATOM 393 CE LYS A 25 9.582 -8.539 10.199 1.00 0.00 C ATOM 394 NZ LYS A 25 10.692 -8.415 11.170 1.00 0.00 N ATOM 0 H LYS A 25 3.868 -10.091 9.836 1.00 0.00 H new ATOM 0 HA LYS A 25 5.298 -8.898 12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.588 -9.189 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.083 -7.619 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.993 -9.817 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.591 -9.987 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.893 -7.228 10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.392 -8.074 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.544 -9.556 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.758 -7.879 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.590 -8.657 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.738 -7.437 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.530 -9.063 11.967 1.00 0.00 H new ATOM 408 N LYS A 26 4.783 -6.333 11.520 1.00 0.00 N ATOM 409 CA LYS A 26 4.190 -5.017 11.691 1.00 0.00 C ATOM 410 C LYS A 26 4.460 -4.175 10.443 1.00 0.00 C ATOM 411 O LYS A 26 5.531 -4.269 9.846 1.00 0.00 O ATOM 412 CB LYS A 26 4.684 -4.372 12.988 1.00 0.00 C ATOM 413 CG LYS A 26 4.179 -5.141 14.210 1.00 0.00 C ATOM 414 CD LYS A 26 2.913 -4.498 14.779 1.00 0.00 C ATOM 415 CE LYS A 26 2.484 -5.186 16.076 1.00 0.00 C ATOM 416 NZ LYS A 26 2.086 -4.182 17.088 1.00 0.00 N ATOM 0 H LYS A 26 5.798 -6.359 11.614 1.00 0.00 H new ATOM 0 HA LYS A 26 3.108 -5.096 11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.774 -4.348 12.994 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.342 -3.338 13.038 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.973 -6.175 13.934 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.955 -5.164 14.975 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.091 -3.439 14.967 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.108 -4.561 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.652 -5.861 15.878 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.303 -5.794 16.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.798 -4.666 17.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.890 -3.554 17.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.290 -3.620 16.725 1.00 0.00 H new ATOM 430 N VAL A 27 3.469 -3.371 10.085 1.00 0.00 N ATOM 431 CA VAL A 27 3.586 -2.513 8.919 1.00 0.00 C ATOM 432 C VAL A 27 4.547 -1.364 9.231 1.00 0.00 C ATOM 433 O VAL A 27 5.183 -0.819 8.329 1.00 0.00 O ATOM 434 CB VAL A 27 2.201 -2.032 8.482 1.00 0.00 C ATOM 435 CG1 VAL A 27 1.578 -1.121 9.541 1.00 0.00 C ATOM 436 CG2 VAL A 27 2.268 -1.329 7.124 1.00 0.00 C ATOM 0 H VAL A 27 2.582 -3.296 10.582 1.00 0.00 H new ATOM 0 HA VAL A 27 4.003 -3.067 8.078 1.00 0.00 H new ATOM 0 HB VAL A 27 1.561 -2.907 8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.594 -0.793 9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.478 -1.668 10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.217 -0.252 9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.270 -0.997 6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.932 -0.467 7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.650 -2.022 6.374 1.00 0.00 H new ATOM 446 N SER A 28 4.623 -1.029 10.510 1.00 0.00 N ATOM 447 CA SER A 28 5.496 0.045 10.953 1.00 0.00 C ATOM 448 C SER A 28 6.960 -0.365 10.779 1.00 0.00 C ATOM 449 O SER A 28 7.841 0.489 10.689 1.00 0.00 O ATOM 450 CB SER A 28 5.218 0.416 12.411 1.00 0.00 C ATOM 451 OG SER A 28 5.481 -0.668 13.297 1.00 0.00 O ATOM 0 H SER A 28 4.094 -1.483 11.255 1.00 0.00 H new ATOM 0 HA SER A 28 5.296 0.923 10.339 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.834 1.271 12.691 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.178 0.725 12.515 1.00 0.00 H new ATOM 0 HG SER A 28 5.293 -0.391 14.218 1.00 0.00 H new ATOM 457 N ASP A 29 7.174 -1.672 10.738 1.00 0.00 N ATOM 458 CA ASP A 29 8.516 -2.205 10.578 1.00 0.00 C ATOM 459 C ASP A 29 8.979 -1.985 9.136 1.00 0.00 C ATOM 460 O ASP A 29 10.088 -1.508 8.902 1.00 0.00 O ATOM 461 CB ASP A 29 8.549 -3.709 10.860 1.00 0.00 C ATOM 462 CG ASP A 29 9.922 -4.366 10.707 1.00 0.00 C ATOM 463 OD1 ASP A 29 10.713 -4.259 11.669 1.00 0.00 O ATOM 464 OD2 ASP A 29 10.150 -4.960 9.631 1.00 0.00 O ATOM 0 H ASP A 29 6.441 -2.377 10.813 1.00 0.00 H new ATOM 0 HA ASP A 29 9.169 -1.691 11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.192 -3.881 11.875 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.849 -4.205 10.188 1.00 0.00 H new ATOM 469 N VAL A 30 8.104 -2.342 8.207 1.00 0.00 N ATOM 470 CA VAL A 30 8.409 -2.190 6.794 1.00 0.00 C ATOM 471 C VAL A 30 8.501 -0.701 6.455 1.00 0.00 C ATOM 472 O VAL A 30 9.245 -0.310 5.557 1.00 0.00 O ATOM 473 CB VAL A 30 7.370 -2.932 5.951 1.00 0.00 C ATOM 474 CG1 VAL A 30 7.607 -2.697 4.458 1.00 0.00 C ATOM 475 CG2 VAL A 30 7.366 -4.427 6.278 1.00 0.00 C ATOM 0 H VAL A 30 7.184 -2.736 8.405 1.00 0.00 H new ATOM 0 HA VAL A 30 9.375 -2.637 6.561 1.00 0.00 H new ATOM 0 HB VAL A 30 6.387 -2.532 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.855 -3.235 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.536 -1.631 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.599 -3.057 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.619 -4.931 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.350 -4.848 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.126 -4.568 7.332 1.00 0.00 H new ATOM 485 N LEU A 31 7.734 0.090 7.191 1.00 0.00 N ATOM 486 CA LEU A 31 7.719 1.527 6.979 1.00 0.00 C ATOM 487 C LEU A 31 9.129 2.083 7.185 1.00 0.00 C ATOM 488 O LEU A 31 9.657 2.783 6.321 1.00 0.00 O ATOM 489 CB LEU A 31 6.662 2.189 7.866 1.00 0.00 C ATOM 490 CG LEU A 31 5.594 3.008 7.139 1.00 0.00 C ATOM 491 CD1 LEU A 31 4.429 2.120 6.697 1.00 0.00 C ATOM 492 CD2 LEU A 31 5.124 4.183 7.999 1.00 0.00 C ATOM 0 H LEU A 31 7.118 -0.238 7.935 1.00 0.00 H new ATOM 0 HA LEU A 31 7.431 1.757 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.164 1.412 8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.170 2.841 8.577 1.00 0.00 H new ATOM 0 HG LEU A 31 6.040 3.427 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.684 2.727 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.796 1.347 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.976 1.653 7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.365 4.749 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.701 3.806 8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.971 4.832 8.222 1.00 0.00 H new ATOM 504 N LYS A 32 9.700 1.751 8.333 1.00 0.00 N ATOM 505 CA LYS A 32 11.040 2.208 8.663 1.00 0.00 C ATOM 506 C LYS A 32 12.017 1.729 7.588 1.00 0.00 C ATOM 507 O LYS A 32 13.024 2.383 7.323 1.00 0.00 O ATOM 508 CB LYS A 32 11.421 1.772 10.079 1.00 0.00 C ATOM 509 CG LYS A 32 10.548 2.472 11.122 1.00 0.00 C ATOM 510 CD LYS A 32 10.299 1.563 12.328 1.00 0.00 C ATOM 511 CE LYS A 32 11.553 1.449 13.196 1.00 0.00 C ATOM 512 NZ LYS A 32 11.317 2.049 14.529 1.00 0.00 N ATOM 0 H LYS A 32 9.260 1.171 9.047 1.00 0.00 H new ATOM 0 HA LYS A 32 11.081 3.297 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.310 0.692 10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.470 2.002 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.033 3.392 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.596 2.756 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.476 1.959 12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.998 0.573 11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.832 0.401 13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.388 1.951 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.178 1.963 15.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.073 3.054 14.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.534 1.552 15.000 1.00 0.00 H new ATOM 526 N LEU A 33 11.685 0.590 6.997 1.00 0.00 N ATOM 527 CA LEU A 33 12.521 0.016 5.956 1.00 0.00 C ATOM 528 C LEU A 33 12.514 0.938 4.736 1.00 0.00 C ATOM 529 O LEU A 33 13.513 1.040 4.024 1.00 0.00 O ATOM 530 CB LEU A 33 12.082 -1.417 5.647 1.00 0.00 C ATOM 531 CG LEU A 33 12.859 -2.525 6.360 1.00 0.00 C ATOM 532 CD1 LEU A 33 12.288 -3.903 6.017 1.00 0.00 C ATOM 533 CD2 LEU A 33 14.355 -2.432 6.052 1.00 0.00 C ATOM 0 H LEU A 33 10.849 0.050 7.219 1.00 0.00 H new ATOM 0 HA LEU A 33 13.555 -0.057 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.028 -1.516 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.164 -1.577 4.572 1.00 0.00 H new ATOM 0 HG LEU A 33 12.743 -2.386 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.858 -4.673 6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.245 -3.952 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.354 -4.067 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.884 -3.231 6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.512 -2.531 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.736 -1.467 6.387 1.00 0.00 H new ATOM 545 N PHE A 34 11.377 1.588 4.530 1.00 0.00 N ATOM 546 CA PHE A 34 11.228 2.498 3.408 1.00 0.00 C ATOM 547 C PHE A 34 11.878 3.850 3.709 1.00 0.00 C ATOM 548 O PHE A 34 12.029 4.683 2.816 1.00 0.00 O ATOM 549 CB PHE A 34 9.727 2.704 3.196 1.00 0.00 C ATOM 550 CG PHE A 34 9.119 1.791 2.129 1.00 0.00 C ATOM 551 CD1 PHE A 34 8.860 0.487 2.417 1.00 0.00 C ATOM 552 CD2 PHE A 34 8.836 2.283 0.893 1.00 0.00 C ATOM 553 CE1 PHE A 34 8.295 -0.360 1.427 1.00 0.00 C ATOM 554 CE2 PHE A 34 8.272 1.436 -0.097 1.00 0.00 C ATOM 555 CZ PHE A 34 8.013 0.132 0.191 1.00 0.00 C ATOM 0 H PHE A 34 10.551 1.502 5.122 1.00 0.00 H new ATOM 0 HA PHE A 34 11.711 2.081 2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.210 2.536 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.549 3.742 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.084 0.096 3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.040 3.319 0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.089 -1.395 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.049 1.827 -1.079 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.584 -0.512 -0.562 1.00 0.00 H new ATOM 565 N GLU A 35 12.246 4.027 4.969 1.00 0.00 N ATOM 566 CA GLU A 35 12.877 5.263 5.398 1.00 0.00 C ATOM 567 C GLU A 35 14.378 5.051 5.601 1.00 0.00 C ATOM 568 O GLU A 35 15.188 5.867 5.164 1.00 0.00 O ATOM 569 CB GLU A 35 12.222 5.799 6.674 1.00 0.00 C ATOM 570 CG GLU A 35 13.096 5.519 7.898 1.00 0.00 C ATOM 571 CD GLU A 35 12.431 6.035 9.176 1.00 0.00 C ATOM 572 OE1 GLU A 35 11.183 6.003 9.218 1.00 0.00 O ATOM 573 OE2 GLU A 35 13.187 6.451 10.080 1.00 0.00 O ATOM 0 H GLU A 35 12.119 3.335 5.707 1.00 0.00 H new ATOM 0 HA GLU A 35 12.738 6.009 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.056 6.872 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.244 5.336 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.275 4.447 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.068 5.995 7.772 1.00 0.00 H new ATOM 580 N ASP A 36 14.704 3.951 6.263 1.00 0.00 N ATOM 581 CA ASP A 36 16.094 3.621 6.529 1.00 0.00 C ATOM 582 C ASP A 36 16.466 2.347 5.768 1.00 0.00 C ATOM 583 O ASP A 36 17.596 2.204 5.304 1.00 0.00 O ATOM 584 CB ASP A 36 16.325 3.366 8.019 1.00 0.00 C ATOM 585 CG ASP A 36 17.725 3.715 8.526 1.00 0.00 C ATOM 586 OD1 ASP A 36 18.320 4.652 7.951 1.00 0.00 O ATOM 587 OD2 ASP A 36 18.170 3.037 9.478 1.00 0.00 O ATOM 0 H ASP A 36 14.029 3.276 6.623 1.00 0.00 H new ATOM 0 HA ASP A 36 16.707 4.463 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.595 3.942 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.132 2.313 8.226 1.00 0.00 H new ATOM 592 N GLY A 37 15.493 1.454 5.662 1.00 0.00 N ATOM 593 CA GLY A 37 15.704 0.197 4.965 1.00 0.00 C ATOM 594 C GLY A 37 16.260 0.435 3.560 1.00 0.00 C ATOM 595 O GLY A 37 16.618 1.560 3.213 1.00 0.00 O ATOM 0 H GLY A 37 14.556 1.576 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.395 -0.426 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.763 -0.349 4.900 1.00 0.00 H new ATOM 599 N GLU A 38 16.315 -0.641 2.789 1.00 0.00 N ATOM 600 CA GLU A 38 16.822 -0.563 1.430 1.00 0.00 C ATOM 601 C GLU A 38 15.773 0.062 0.507 1.00 0.00 C ATOM 602 O GLU A 38 16.116 0.723 -0.471 1.00 0.00 O ATOM 603 CB GLU A 38 17.246 -1.943 0.922 1.00 0.00 C ATOM 604 CG GLU A 38 18.762 -2.122 1.025 1.00 0.00 C ATOM 605 CD GLU A 38 19.428 -1.953 -0.343 1.00 0.00 C ATOM 606 OE1 GLU A 38 18.785 -2.348 -1.339 1.00 0.00 O ATOM 607 OE2 GLU A 38 20.564 -1.432 -0.360 1.00 0.00 O ATOM 0 H GLU A 38 16.017 -1.572 3.080 1.00 0.00 H new ATOM 0 HA GLU A 38 17.706 0.075 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.744 -2.718 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.931 -2.066 -0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.171 -1.394 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.989 -3.110 1.424 1.00 0.00 H new ATOM 614 N MET A 39 14.515 -0.171 0.852 1.00 0.00 N ATOM 615 CA MET A 39 13.413 0.361 0.068 1.00 0.00 C ATOM 616 C MET A 39 13.403 1.891 0.104 1.00 0.00 C ATOM 617 O MET A 39 12.648 2.527 -0.630 1.00 0.00 O ATOM 618 CB MET A 39 12.090 -0.172 0.619 1.00 0.00 C ATOM 619 CG MET A 39 11.192 -0.683 -0.510 1.00 0.00 C ATOM 620 SD MET A 39 12.013 -1.997 -1.396 1.00 0.00 S ATOM 621 CE MET A 39 12.539 -3.013 -0.026 1.00 0.00 C ATOM 0 H MET A 39 14.234 -0.721 1.664 1.00 0.00 H new ATOM 0 HA MET A 39 13.540 0.042 -0.966 1.00 0.00 H new ATOM 0 HB2 MET A 39 12.285 -0.978 1.327 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.576 0.617 1.168 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.249 -1.044 -0.100 1.00 0.00 H new ATOM 0 HG3 MET A 39 10.952 0.132 -1.192 1.00 0.00 H new ATOM 0 HE1 MET A 39 12.539 -4.060 -0.329 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.545 -2.723 0.277 1.00 0.00 H new ATOM 0 HE3 MET A 39 11.854 -2.878 0.811 1.00 0.00 H new ATOM 631 N ALA A 40 14.248 2.436 0.965 1.00 0.00 N ATOM 632 CA ALA A 40 14.346 3.879 1.106 1.00 0.00 C ATOM 633 C ALA A 40 15.117 4.453 -0.084 1.00 0.00 C ATOM 634 O ALA A 40 15.283 5.667 -0.194 1.00 0.00 O ATOM 635 CB ALA A 40 15.003 4.218 2.445 1.00 0.00 C ATOM 0 H ALA A 40 14.872 1.905 1.573 1.00 0.00 H new ATOM 0 HA ALA A 40 13.355 4.332 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 40 15.076 5.300 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.400 3.814 3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 40 16.001 3.781 2.481 1.00 0.00 H new ATOM 641 N LYS A 41 15.568 3.553 -0.945 1.00 0.00 N ATOM 642 CA LYS A 41 16.318 3.955 -2.123 1.00 0.00 C ATOM 643 C LYS A 41 15.345 4.235 -3.271 1.00 0.00 C ATOM 644 O LYS A 41 15.692 4.926 -4.228 1.00 0.00 O ATOM 645 CB LYS A 41 17.384 2.910 -2.462 1.00 0.00 C ATOM 646 CG LYS A 41 16.781 1.750 -3.257 1.00 0.00 C ATOM 647 CD LYS A 41 17.878 0.853 -3.833 1.00 0.00 C ATOM 648 CE LYS A 41 18.525 0.004 -2.737 1.00 0.00 C ATOM 649 NZ LYS A 41 19.830 0.577 -2.339 1.00 0.00 N ATOM 0 H LYS A 41 15.429 2.547 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 41 16.861 4.881 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.183 3.375 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.833 2.532 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.127 1.163 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.163 2.141 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.456 0.203 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.637 1.467 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.865 -0.047 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.663 -1.017 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.301 -0.064 -1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.428 0.698 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.680 1.501 -1.886 1.00 0.00 H new ATOM 663 N TYR A 42 14.148 3.684 -3.137 1.00 0.00 N ATOM 664 CA TYR A 42 13.123 3.866 -4.150 1.00 0.00 C ATOM 665 C TYR A 42 12.017 4.798 -3.650 1.00 0.00 C ATOM 666 O TYR A 42 10.883 4.731 -4.124 1.00 0.00 O ATOM 667 CB TYR A 42 12.529 2.479 -4.404 1.00 0.00 C ATOM 668 CG TYR A 42 13.533 1.464 -4.955 1.00 0.00 C ATOM 669 CD1 TYR A 42 14.408 1.833 -5.956 1.00 0.00 C ATOM 670 CD2 TYR A 42 13.563 0.180 -4.450 1.00 0.00 C ATOM 671 CE1 TYR A 42 15.352 0.878 -6.475 1.00 0.00 C ATOM 672 CE2 TYR A 42 14.507 -0.775 -4.969 1.00 0.00 C ATOM 673 CZ TYR A 42 15.355 -0.380 -5.956 1.00 0.00 C ATOM 674 OH TYR A 42 16.247 -1.282 -6.446 1.00 0.00 O ATOM 0 H TYR A 42 13.865 3.111 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 42 13.548 4.310 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.115 2.096 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.700 2.573 -5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 42 14.385 2.838 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 42 12.879 -0.108 -3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 42 16.042 1.154 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 42 14.541 -1.783 -4.583 1.00 0.00 H new ATOM 0 HH TYR A 42 16.136 -2.138 -5.981 1.00 0.00 H new ATOM 684 N VAL A 43 12.385 5.645 -2.700 1.00 0.00 N ATOM 685 CA VAL A 43 11.438 6.588 -2.131 1.00 0.00 C ATOM 686 C VAL A 43 11.773 7.999 -2.621 1.00 0.00 C ATOM 687 O VAL A 43 12.925 8.424 -2.557 1.00 0.00 O ATOM 688 CB VAL A 43 11.434 6.470 -0.606 1.00 0.00 C ATOM 689 CG1 VAL A 43 10.701 7.651 0.034 1.00 0.00 C ATOM 690 CG2 VAL A 43 10.824 5.140 -0.160 1.00 0.00 C ATOM 0 H VAL A 43 13.326 5.698 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 43 10.425 6.360 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 43 12.469 6.494 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.713 7.542 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.198 8.581 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.669 7.672 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.834 5.082 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.797 5.073 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.407 4.316 -0.572 1.00 0.00 H new ATOM 700 N GLN A 44 10.745 8.684 -3.099 1.00 0.00 N ATOM 701 CA GLN A 44 10.916 10.038 -3.599 1.00 0.00 C ATOM 702 C GLN A 44 10.000 11.003 -2.844 1.00 0.00 C ATOM 703 O GLN A 44 8.804 10.749 -2.706 1.00 0.00 O ATOM 704 CB GLN A 44 10.657 10.102 -5.106 1.00 0.00 C ATOM 705 CG GLN A 44 9.475 9.213 -5.498 1.00 0.00 C ATOM 706 CD GLN A 44 9.957 7.849 -5.996 1.00 0.00 C ATOM 707 OE1 GLN A 44 10.054 6.886 -5.253 1.00 0.00 O ATOM 708 NE2 GLN A 44 10.253 7.821 -7.293 1.00 0.00 N ATOM 0 H GLN A 44 9.791 8.327 -3.151 1.00 0.00 H new ATOM 0 HA GLN A 44 11.949 10.340 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.455 11.132 -5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.549 9.785 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.816 9.079 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.890 9.702 -6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.149 8.664 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.584 6.957 -7.722 1.00 0.00 H new ATOM 717 N GLY A 45 10.596 12.089 -2.374 1.00 0.00 N ATOM 718 CA GLY A 45 9.848 13.093 -1.636 1.00 0.00 C ATOM 719 C GLY A 45 9.100 12.464 -0.459 1.00 0.00 C ATOM 720 O GLY A 45 8.102 13.009 0.010 1.00 0.00 O ATOM 0 H GLY A 45 11.588 12.296 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.528 13.862 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.139 13.585 -2.301 1.00 0.00 H new ATOM 724 N ASP A 46 9.611 11.325 -0.015 1.00 0.00 N ATOM 725 CA ASP A 46 9.004 10.616 1.099 1.00 0.00 C ATOM 726 C ASP A 46 7.839 9.768 0.584 1.00 0.00 C ATOM 727 O ASP A 46 7.236 9.010 1.342 1.00 0.00 O ATOM 728 CB ASP A 46 8.454 11.593 2.140 1.00 0.00 C ATOM 729 CG ASP A 46 8.493 11.090 3.584 1.00 0.00 C ATOM 730 OD1 ASP A 46 9.581 10.633 3.996 1.00 0.00 O ATOM 731 OD2 ASP A 46 7.434 11.173 4.243 1.00 0.00 O ATOM 0 H ASP A 46 10.439 10.875 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 46 9.770 9.992 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.021 12.522 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.422 11.832 1.882 1.00 0.00 H new ATOM 736 N ALA A 47 7.558 9.925 -0.701 1.00 0.00 N ATOM 737 CA ALA A 47 6.476 9.184 -1.327 1.00 0.00 C ATOM 738 C ALA A 47 7.047 7.946 -2.022 1.00 0.00 C ATOM 739 O ALA A 47 8.221 7.921 -2.387 1.00 0.00 O ATOM 740 CB ALA A 47 5.721 10.099 -2.292 1.00 0.00 C ATOM 0 H ALA A 47 8.061 10.555 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 47 5.762 8.842 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.910 9.543 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.310 10.947 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.404 10.461 -3.060 1.00 0.00 H new ATOM 746 N ILE A 48 6.189 6.949 -2.184 1.00 0.00 N ATOM 747 CA ILE A 48 6.594 5.712 -2.829 1.00 0.00 C ATOM 748 C ILE A 48 6.197 5.758 -4.306 1.00 0.00 C ATOM 749 O ILE A 48 5.329 6.538 -4.695 1.00 0.00 O ATOM 750 CB ILE A 48 6.026 4.506 -2.078 1.00 0.00 C ATOM 751 CG1 ILE A 48 4.519 4.378 -2.303 1.00 0.00 C ATOM 752 CG2 ILE A 48 6.380 4.570 -0.591 1.00 0.00 C ATOM 753 CD1 ILE A 48 3.937 3.225 -1.484 1.00 0.00 C ATOM 0 H ILE A 48 5.216 6.973 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 48 7.678 5.601 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 48 6.488 3.605 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.026 5.310 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.319 4.214 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.964 3.701 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.464 4.575 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.964 5.479 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.864 3.157 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.414 2.291 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.117 3.404 -0.424 1.00 0.00 H new ATOM 765 N GLY A 49 6.851 4.913 -5.089 1.00 0.00 N ATOM 766 CA GLY A 49 6.577 4.847 -6.514 1.00 0.00 C ATOM 767 C GLY A 49 5.914 3.520 -6.885 1.00 0.00 C ATOM 768 O GLY A 49 5.534 2.745 -6.008 1.00 0.00 O ATOM 0 H GLY A 49 7.571 4.268 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.928 5.674 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.506 4.962 -7.072 1.00 0.00 H new ATOM 772 N TYR A 50 5.794 3.297 -8.185 1.00 0.00 N ATOM 773 CA TYR A 50 5.182 2.077 -8.683 1.00 0.00 C ATOM 774 C TYR A 50 5.889 0.841 -8.121 1.00 0.00 C ATOM 775 O TYR A 50 5.260 0.001 -7.479 1.00 0.00 O ATOM 776 CB TYR A 50 5.361 2.105 -10.202 1.00 0.00 C ATOM 777 CG TYR A 50 4.525 1.062 -10.946 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.174 0.949 -10.688 1.00 0.00 C ATOM 779 CD2 TYR A 50 5.121 0.234 -11.876 1.00 0.00 C ATOM 780 CE1 TYR A 50 2.386 -0.032 -11.389 1.00 0.00 C ATOM 781 CE2 TYR A 50 4.334 -0.747 -12.576 1.00 0.00 C ATOM 782 CZ TYR A 50 3.005 -0.832 -12.298 1.00 0.00 C ATOM 783 OH TYR A 50 2.262 -1.759 -12.960 1.00 0.00 O ATOM 0 H TYR A 50 6.111 3.941 -8.910 1.00 0.00 H new ATOM 0 HA TYR A 50 4.134 2.024 -8.386 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.098 3.097 -10.570 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.414 1.947 -10.437 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.707 1.596 -9.960 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.178 0.322 -12.078 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.328 -0.130 -11.197 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.788 -1.401 -13.306 1.00 0.00 H new ATOM 0 HH TYR A 50 2.646 -1.912 -13.849 1.00 0.00 H new ATOM 793 N GLU A 51 7.186 0.771 -8.382 1.00 0.00 N ATOM 794 CA GLU A 51 7.984 -0.348 -7.910 1.00 0.00 C ATOM 795 C GLU A 51 8.020 -0.367 -6.380 1.00 0.00 C ATOM 796 O GLU A 51 7.951 -1.431 -5.767 1.00 0.00 O ATOM 797 CB GLU A 51 9.398 -0.296 -8.491 1.00 0.00 C ATOM 798 CG GLU A 51 9.646 -1.473 -9.436 1.00 0.00 C ATOM 799 CD GLU A 51 10.203 -0.991 -10.778 1.00 0.00 C ATOM 800 OE1 GLU A 51 9.501 -0.187 -11.428 1.00 0.00 O ATOM 801 OE2 GLU A 51 11.319 -1.437 -11.122 1.00 0.00 O ATOM 0 H GLU A 51 7.704 1.470 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 51 7.519 -1.272 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.540 0.642 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.128 -0.314 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.346 -2.171 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.715 -2.016 -9.599 1.00 0.00 H new ATOM 808 N GLY A 52 8.127 0.824 -5.808 1.00 0.00 N ATOM 809 CA GLY A 52 8.173 0.957 -4.362 1.00 0.00 C ATOM 810 C GLY A 52 6.878 0.449 -3.723 1.00 0.00 C ATOM 811 O GLY A 52 6.871 0.051 -2.560 1.00 0.00 O ATOM 0 H GLY A 52 8.183 1.705 -6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.021 0.397 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.329 2.002 -4.094 1.00 0.00 H new ATOM 815 N PHE A 53 5.815 0.480 -4.513 1.00 0.00 N ATOM 816 CA PHE A 53 4.518 0.028 -4.039 1.00 0.00 C ATOM 817 C PHE A 53 4.453 -1.500 -3.994 1.00 0.00 C ATOM 818 O PHE A 53 4.205 -2.084 -2.940 1.00 0.00 O ATOM 819 CB PHE A 53 3.474 0.542 -5.033 1.00 0.00 C ATOM 820 CG PHE A 53 2.028 0.307 -4.593 1.00 0.00 C ATOM 821 CD1 PHE A 53 1.430 -0.891 -4.834 1.00 0.00 C ATOM 822 CD2 PHE A 53 1.339 1.296 -3.963 1.00 0.00 C ATOM 823 CE1 PHE A 53 0.087 -1.109 -4.426 1.00 0.00 C ATOM 824 CE2 PHE A 53 -0.003 1.078 -3.555 1.00 0.00 C ATOM 825 CZ PHE A 53 -0.601 -0.120 -3.795 1.00 0.00 C ATOM 0 H PHE A 53 5.825 0.811 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 53 4.339 0.403 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.628 1.610 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.634 0.056 -5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.976 -1.676 -5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.813 2.248 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.388 -2.060 -4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.549 1.863 -3.054 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.622 -0.286 -3.484 1.00 0.00 H new ATOM 835 N GLN A 54 4.680 -2.104 -5.151 1.00 0.00 N ATOM 836 CA GLN A 54 4.650 -3.553 -5.257 1.00 0.00 C ATOM 837 C GLN A 54 5.775 -4.170 -4.423 1.00 0.00 C ATOM 838 O GLN A 54 5.651 -5.294 -3.940 1.00 0.00 O ATOM 839 CB GLN A 54 4.743 -3.998 -6.717 1.00 0.00 C ATOM 840 CG GLN A 54 5.819 -3.208 -7.464 1.00 0.00 C ATOM 841 CD GLN A 54 5.203 -2.356 -8.576 1.00 0.00 C ATOM 842 OE1 GLN A 54 4.107 -1.833 -8.457 1.00 0.00 O ATOM 843 NE2 GLN A 54 5.965 -2.247 -9.660 1.00 0.00 N ATOM 0 H GLN A 54 4.885 -1.617 -6.023 1.00 0.00 H new ATOM 0 HA GLN A 54 3.697 -3.907 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.971 -5.063 -6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.779 -3.858 -7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.355 -2.567 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.549 -3.896 -7.890 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.873 -2.711 -9.694 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.642 -1.700 -10.458 1.00 0.00 H new ATOM 852 N GLN A 55 6.849 -3.406 -4.280 1.00 0.00 N ATOM 853 CA GLN A 55 7.996 -3.863 -3.514 1.00 0.00 C ATOM 854 C GLN A 55 7.603 -4.081 -2.051 1.00 0.00 C ATOM 855 O GLN A 55 8.141 -4.965 -1.386 1.00 0.00 O ATOM 856 CB GLN A 55 9.160 -2.877 -3.628 1.00 0.00 C ATOM 857 CG GLN A 55 10.087 -3.255 -4.785 1.00 0.00 C ATOM 858 CD GLN A 55 10.660 -4.660 -4.592 1.00 0.00 C ATOM 859 OE1 GLN A 55 10.440 -5.562 -5.383 1.00 0.00 O ATOM 860 NE2 GLN A 55 11.404 -4.796 -3.498 1.00 0.00 N ATOM 0 H GLN A 55 6.949 -2.474 -4.682 1.00 0.00 H new ATOM 0 HA GLN A 55 8.329 -4.815 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.774 -1.869 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.723 -2.864 -2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.538 -3.208 -5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.901 -2.533 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.549 -4.000 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.830 -5.697 -3.280 1.00 0.00 H new ATOM 869 N PHE A 56 6.669 -3.261 -1.593 1.00 0.00 N ATOM 870 CA PHE A 56 6.199 -3.353 -0.221 1.00 0.00 C ATOM 871 C PHE A 56 5.496 -4.689 0.028 1.00 0.00 C ATOM 872 O PHE A 56 5.763 -5.358 1.025 1.00 0.00 O ATOM 873 CB PHE A 56 5.196 -2.216 -0.015 1.00 0.00 C ATOM 874 CG PHE A 56 4.608 -2.153 1.396 1.00 0.00 C ATOM 875 CD1 PHE A 56 3.552 -2.943 1.728 1.00 0.00 C ATOM 876 CD2 PHE A 56 5.142 -1.308 2.318 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.006 -2.885 3.038 1.00 0.00 C ATOM 878 CE2 PHE A 56 4.596 -1.250 3.628 1.00 0.00 C ATOM 879 CZ PHE A 56 3.540 -2.040 3.960 1.00 0.00 C ATOM 0 H PHE A 56 6.225 -2.529 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 56 7.041 -3.282 0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.687 -1.268 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.383 -2.328 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.129 -3.614 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.981 -0.681 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.167 -3.512 3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.019 -0.579 4.360 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.125 -1.996 4.956 1.00 0.00 H new ATOM 889 N LEU A 57 4.611 -5.037 -0.894 1.00 0.00 N ATOM 890 CA LEU A 57 3.868 -6.281 -0.787 1.00 0.00 C ATOM 891 C LEU A 57 4.849 -7.445 -0.632 1.00 0.00 C ATOM 892 O LEU A 57 4.484 -8.506 -0.128 1.00 0.00 O ATOM 893 CB LEU A 57 2.911 -6.437 -1.970 1.00 0.00 C ATOM 894 CG LEU A 57 1.647 -5.575 -1.929 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.784 -4.357 -2.845 1.00 0.00 C ATOM 896 CD2 LEU A 57 0.406 -6.406 -2.261 1.00 0.00 C ATOM 0 H LEU A 57 4.392 -4.479 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 57 3.239 -6.273 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.456 -6.205 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.611 -7.483 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 57 1.521 -5.201 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.872 -3.761 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.630 -3.751 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.947 -4.689 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.478 -5.770 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.508 -6.829 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.303 -7.212 -1.535 1.00 0.00 H new ATOM 908 N LYS A 58 6.075 -7.206 -1.074 1.00 0.00 N ATOM 909 CA LYS A 58 7.111 -8.221 -0.991 1.00 0.00 C ATOM 910 C LYS A 58 7.473 -8.455 0.477 1.00 0.00 C ATOM 911 O LYS A 58 7.348 -9.570 0.981 1.00 0.00 O ATOM 912 CB LYS A 58 8.307 -7.839 -1.866 1.00 0.00 C ATOM 913 CG LYS A 58 8.984 -9.084 -2.442 1.00 0.00 C ATOM 914 CD LYS A 58 9.158 -8.963 -3.957 1.00 0.00 C ATOM 915 CE LYS A 58 10.528 -9.483 -4.395 1.00 0.00 C ATOM 916 NZ LYS A 58 11.586 -8.505 -4.057 1.00 0.00 N ATOM 0 H LYS A 58 6.374 -6.324 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 58 6.747 -9.170 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.976 -7.192 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.026 -7.269 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.957 -9.224 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.388 -9.967 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.373 -9.525 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.048 -7.921 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.735 -10.435 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.526 -9.669 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.479 -8.790 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.310 -7.563 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.713 -8.474 -3.025 1.00 0.00 H new ATOM 930 N ILE A 59 7.915 -7.385 1.122 1.00 0.00 N ATOM 931 CA ILE A 59 8.296 -7.459 2.522 1.00 0.00 C ATOM 932 C ILE A 59 7.037 -7.580 3.383 1.00 0.00 C ATOM 933 O ILE A 59 6.965 -8.433 4.267 1.00 0.00 O ATOM 934 CB ILE A 59 9.187 -6.274 2.899 1.00 0.00 C ATOM 935 CG1 ILE A 59 10.470 -6.265 2.064 1.00 0.00 C ATOM 936 CG2 ILE A 59 9.481 -6.264 4.400 1.00 0.00 C ATOM 937 CD1 ILE A 59 11.189 -4.920 2.179 1.00 0.00 C ATOM 0 H ILE A 59 8.018 -6.462 0.700 1.00 0.00 H new ATOM 0 HA ILE A 59 8.896 -8.350 2.706 1.00 0.00 H new ATOM 0 HB ILE A 59 8.647 -5.355 2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.131 -7.065 2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.230 -6.465 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.116 -5.412 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.545 -6.187 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.991 -7.186 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.097 -4.940 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.534 -4.126 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.449 -4.734 3.221 1.00 0.00 H new ATOM 949 N TYR A 60 6.077 -6.714 3.096 1.00 0.00 N ATOM 950 CA TYR A 60 4.825 -6.713 3.833 1.00 0.00 C ATOM 951 C TYR A 60 4.303 -8.138 4.029 1.00 0.00 C ATOM 952 O TYR A 60 4.291 -8.650 5.148 1.00 0.00 O ATOM 953 CB TYR A 60 3.829 -5.933 2.972 1.00 0.00 C ATOM 954 CG TYR A 60 2.412 -5.888 3.546 1.00 0.00 C ATOM 955 CD1 TYR A 60 2.219 -5.657 4.892 1.00 0.00 C ATOM 956 CD2 TYR A 60 1.325 -6.079 2.716 1.00 0.00 C ATOM 957 CE1 TYR A 60 0.885 -5.615 5.432 1.00 0.00 C ATOM 958 CE2 TYR A 60 -0.009 -6.037 3.256 1.00 0.00 C ATOM 959 CZ TYR A 60 -0.163 -5.807 4.588 1.00 0.00 C ATOM 960 OH TYR A 60 -1.423 -5.768 5.098 1.00 0.00 O ATOM 0 H TYR A 60 6.141 -6.008 2.363 1.00 0.00 H new ATOM 0 HA TYR A 60 4.961 -6.271 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.192 -4.913 2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.794 -6.381 1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.069 -5.508 5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.476 -6.260 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.721 -5.435 6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.868 -6.185 2.618 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.693 -4.835 5.232 1.00 0.00 H new ATOM 970 N LEU A 61 3.885 -8.738 2.925 1.00 0.00 N ATOM 971 CA LEU A 61 3.363 -10.094 2.962 1.00 0.00 C ATOM 972 C LEU A 61 4.522 -11.077 3.137 1.00 0.00 C ATOM 973 O LEU A 61 4.335 -12.178 3.653 1.00 0.00 O ATOM 974 CB LEU A 61 2.503 -10.371 1.727 1.00 0.00 C ATOM 975 CG LEU A 61 1.465 -9.302 1.380 1.00 0.00 C ATOM 976 CD1 LEU A 61 1.638 -8.818 -0.061 1.00 0.00 C ATOM 977 CD2 LEU A 61 0.046 -9.808 1.648 1.00 0.00 C ATOM 0 H LEU A 61 3.897 -8.311 1.999 1.00 0.00 H new ATOM 0 HA LEU A 61 2.701 -10.224 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.164 -10.499 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.985 -11.318 1.875 1.00 0.00 H new ATOM 0 HG LEU A 61 1.629 -8.443 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.888 -8.059 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.634 -8.392 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.516 -9.658 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.672 -9.029 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.146 -10.692 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.056 -10.064 2.703 1.00 0.00 H new ATOM 989 N GLU A 62 5.695 -10.644 2.697 1.00 0.00 N ATOM 990 CA GLU A 62 6.884 -11.473 2.799 1.00 0.00 C ATOM 991 C GLU A 62 6.951 -12.452 1.625 1.00 0.00 C ATOM 992 O GLU A 62 7.751 -13.386 1.636 1.00 0.00 O ATOM 993 CB GLU A 62 6.923 -12.216 4.135 1.00 0.00 C ATOM 994 CG GLU A 62 8.303 -12.102 4.786 1.00 0.00 C ATOM 995 CD GLU A 62 9.070 -13.422 4.679 1.00 0.00 C ATOM 996 OE1 GLU A 62 8.799 -14.305 5.521 1.00 0.00 O ATOM 997 OE2 GLU A 62 9.909 -13.517 3.758 1.00 0.00 O ATOM 0 H GLU A 62 5.847 -9.731 2.269 1.00 0.00 H new ATOM 0 HA GLU A 62 7.759 -10.824 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.166 -11.807 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.676 -13.266 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.872 -11.307 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.193 -11.825 5.834 1.00 0.00 H new ATOM 1004 N VAL A 63 6.100 -12.204 0.640 1.00 0.00 N ATOM 1005 CA VAL A 63 6.052 -13.053 -0.539 1.00 0.00 C ATOM 1006 C VAL A 63 7.361 -12.909 -1.318 1.00 0.00 C ATOM 1007 O VAL A 63 8.135 -11.985 -1.074 1.00 0.00 O ATOM 1008 CB VAL A 63 4.817 -12.715 -1.376 1.00 0.00 C ATOM 1009 CG1 VAL A 63 3.545 -13.260 -0.722 1.00 0.00 C ATOM 1010 CG2 VAL A 63 4.710 -11.208 -1.613 1.00 0.00 C ATOM 0 H VAL A 63 5.438 -11.428 0.634 1.00 0.00 H new ATOM 0 HA VAL A 63 5.957 -14.101 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 63 4.928 -13.199 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.682 -13.006 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.619 -14.344 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.427 -12.819 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.823 -10.996 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.634 -10.694 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.597 -10.859 -2.143 1.00 0.00 H new ATOM 1020 N ASP A 64 7.567 -13.837 -2.241 1.00 0.00 N ATOM 1021 CA ASP A 64 8.769 -13.826 -3.058 1.00 0.00 C ATOM 1022 C ASP A 64 8.433 -13.271 -4.444 1.00 0.00 C ATOM 1023 O ASP A 64 9.321 -13.083 -5.273 1.00 0.00 O ATOM 1024 CB ASP A 64 9.326 -15.239 -3.238 1.00 0.00 C ATOM 1025 CG ASP A 64 10.844 -15.360 -3.082 1.00 0.00 C ATOM 1026 OD1 ASP A 64 11.301 -15.307 -1.920 1.00 0.00 O ATOM 1027 OD2 ASP A 64 11.512 -15.503 -4.129 1.00 0.00 O ATOM 0 H ASP A 64 6.922 -14.601 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 64 9.512 -13.207 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.848 -15.897 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.048 -15.600 -4.228 1.00 0.00 H new ATOM 1032 N ASN A 65 7.148 -13.024 -4.652 1.00 0.00 N ATOM 1033 CA ASN A 65 6.683 -12.494 -5.922 1.00 0.00 C ATOM 1034 C ASN A 65 5.184 -12.204 -5.832 1.00 0.00 C ATOM 1035 O ASN A 65 4.383 -13.113 -5.619 1.00 0.00 O ATOM 1036 CB ASN A 65 6.902 -13.502 -7.052 1.00 0.00 C ATOM 1037 CG ASN A 65 6.970 -14.930 -6.507 1.00 0.00 C ATOM 1038 OD1 ASN A 65 8.030 -15.463 -6.221 1.00 0.00 O ATOM 1039 ND2 ASN A 65 5.784 -15.518 -6.381 1.00 0.00 N ATOM 0 H ASN A 65 6.414 -13.181 -3.961 1.00 0.00 H new ATOM 0 HA ASN A 65 7.246 -11.585 -6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.091 -13.424 -7.776 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.826 -13.266 -7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.723 -16.472 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.935 -15.015 -6.639 1.00 0.00 H new ATOM 1046 N VAL A 66 4.849 -10.932 -5.997 1.00 0.00 N ATOM 1047 CA VAL A 66 3.459 -10.511 -5.937 1.00 0.00 C ATOM 1048 C VAL A 66 2.938 -10.282 -7.357 1.00 0.00 C ATOM 1049 O VAL A 66 3.691 -9.874 -8.240 1.00 0.00 O ATOM 1050 CB VAL A 66 3.326 -9.275 -5.045 1.00 0.00 C ATOM 1051 CG1 VAL A 66 3.020 -8.028 -5.877 1.00 0.00 C ATOM 1052 CG2 VAL A 66 2.262 -9.489 -3.967 1.00 0.00 C ATOM 0 H VAL A 66 5.516 -10.180 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 66 2.843 -11.289 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 66 4.282 -9.118 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.931 -7.164 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.827 -7.859 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.084 -8.171 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.188 -8.596 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.299 -9.684 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.540 -10.340 -3.345 1.00 0.00 H new ATOM 1062 N PRO A 67 1.619 -10.562 -7.537 1.00 0.00 N ATOM 1063 CA PRO A 67 0.989 -10.391 -8.835 1.00 0.00 C ATOM 1064 C PRO A 67 0.751 -8.910 -9.138 1.00 0.00 C ATOM 1065 O PRO A 67 -0.047 -8.256 -8.469 1.00 0.00 O ATOM 1066 CB PRO A 67 -0.299 -11.195 -8.756 1.00 0.00 C ATOM 1067 CG PRO A 67 -0.570 -11.403 -7.274 1.00 0.00 C ATOM 1068 CD PRO A 67 0.698 -11.047 -6.514 1.00 0.00 C ATOM 0 HA PRO A 67 1.614 -10.744 -9.656 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.122 -10.662 -9.233 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.196 -12.150 -9.272 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.400 -10.777 -6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.854 -12.437 -7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.507 -10.284 -5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.105 -11.914 -5.994 1.00 0.00 H new ATOM 1076 N ARG A 68 1.459 -8.425 -10.148 1.00 0.00 N ATOM 1077 CA ARG A 68 1.336 -7.033 -10.548 1.00 0.00 C ATOM 1078 C ARG A 68 -0.135 -6.672 -10.766 1.00 0.00 C ATOM 1079 O ARG A 68 -0.519 -5.511 -10.633 1.00 0.00 O ATOM 1080 CB ARG A 68 2.117 -6.759 -11.834 1.00 0.00 C ATOM 1081 CG ARG A 68 2.143 -5.262 -12.151 1.00 0.00 C ATOM 1082 CD ARG A 68 2.648 -5.011 -13.573 1.00 0.00 C ATOM 1083 NE ARG A 68 4.127 -4.944 -13.581 1.00 0.00 N ATOM 1084 CZ ARG A 68 4.927 -6.017 -13.648 1.00 0.00 C ATOM 1085 NH1 ARG A 68 4.397 -7.246 -13.714 1.00 0.00 N ATOM 1086 NH2 ARG A 68 6.258 -5.860 -13.650 1.00 0.00 N ATOM 0 H ARG A 68 2.120 -8.971 -10.701 1.00 0.00 H new ATOM 0 HA ARG A 68 1.750 -6.420 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.137 -7.130 -11.731 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.662 -7.302 -12.663 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.142 -4.845 -12.038 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.785 -4.747 -11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.308 -5.808 -14.234 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.232 -4.080 -13.956 1.00 0.00 H new ATOM 0 HE ARG A 68 4.564 -4.024 -13.532 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.384 -7.365 -13.713 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.007 -8.062 -13.765 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.661 -4.924 -13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.868 -6.676 -13.701 1.00 0.00 H new ATOM 1100 N HIS A 69 -0.918 -7.689 -11.096 1.00 0.00 N ATOM 1101 CA HIS A 69 -2.338 -7.493 -11.334 1.00 0.00 C ATOM 1102 C HIS A 69 -2.993 -6.914 -10.078 1.00 0.00 C ATOM 1103 O HIS A 69 -3.811 -5.999 -10.166 1.00 0.00 O ATOM 1104 CB HIS A 69 -2.996 -8.794 -11.799 1.00 0.00 C ATOM 1105 CG HIS A 69 -2.753 -9.118 -13.254 1.00 0.00 C ATOM 1106 ND1 HIS A 69 -3.045 -10.353 -13.806 1.00 0.00 N ATOM 1107 CD2 HIS A 69 -2.245 -8.355 -14.264 1.00 0.00 C ATOM 1108 CE1 HIS A 69 -2.723 -10.324 -15.090 1.00 0.00 C ATOM 1109 NE2 HIS A 69 -2.227 -9.086 -15.373 1.00 0.00 N ATOM 0 H HIS A 69 -0.596 -8.651 -11.204 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.479 -6.774 -12.141 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.625 -9.616 -11.187 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.070 -8.728 -11.626 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.914 -7.331 -14.177 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.834 -11.138 -15.791 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.897 -8.773 -16.286 1.00 0.00 H new ATOM 1117 N LEU A 70 -2.610 -7.471 -8.939 1.00 0.00 N ATOM 1118 CA LEU A 70 -3.150 -7.021 -7.667 1.00 0.00 C ATOM 1119 C LEU A 70 -2.579 -5.641 -7.335 1.00 0.00 C ATOM 1120 O LEU A 70 -3.314 -4.745 -6.923 1.00 0.00 O ATOM 1121 CB LEU A 70 -2.900 -8.068 -6.579 1.00 0.00 C ATOM 1122 CG LEU A 70 -2.780 -7.534 -5.150 1.00 0.00 C ATOM 1123 CD1 LEU A 70 -4.158 -7.216 -4.567 1.00 0.00 C ATOM 1124 CD2 LEU A 70 -1.994 -8.505 -4.266 1.00 0.00 C ATOM 0 H LEU A 70 -1.932 -8.230 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.233 -6.912 -7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.713 -8.794 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.984 -8.605 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.219 -6.600 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.045 -6.838 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.648 -6.461 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.765 -8.122 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.923 -8.102 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.506 -9.467 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.992 -8.639 -4.674 1.00 0.00 H new ATOM 1136 N SER A 71 -1.275 -5.513 -7.527 1.00 0.00 N ATOM 1137 CA SER A 71 -0.597 -4.257 -7.254 1.00 0.00 C ATOM 1138 C SER A 71 -1.245 -3.127 -8.057 1.00 0.00 C ATOM 1139 O SER A 71 -1.199 -1.967 -7.652 1.00 0.00 O ATOM 1140 CB SER A 71 0.894 -4.353 -7.580 1.00 0.00 C ATOM 1141 OG SER A 71 1.670 -4.697 -6.436 1.00 0.00 O ATOM 0 H SER A 71 -0.669 -6.259 -7.869 1.00 0.00 H new ATOM 0 HA SER A 71 -0.695 -4.040 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.047 -5.099 -8.360 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.240 -3.399 -7.979 1.00 0.00 H new ATOM 0 HG SER A 71 2.263 -5.446 -6.656 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.834 -3.507 -9.181 1.00 0.00 N ATOM 1148 CA LEU A 72 -2.491 -2.540 -10.045 1.00 0.00 C ATOM 1149 C LEU A 72 -3.791 -2.075 -9.387 1.00 0.00 C ATOM 1150 O LEU A 72 -4.068 -0.878 -9.330 1.00 0.00 O ATOM 1151 CB LEU A 72 -2.684 -3.119 -11.448 1.00 0.00 C ATOM 1152 CG LEU A 72 -3.724 -2.419 -12.325 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -3.488 -0.907 -12.354 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -3.751 -3.022 -13.731 1.00 0.00 C ATOM 0 H LEU A 72 -1.870 -4.471 -9.514 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.865 -1.657 -10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.725 -3.093 -11.965 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.966 -4.167 -11.351 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.708 -2.583 -11.886 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.241 -0.433 -12.984 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.559 -0.508 -11.342 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.496 -0.701 -12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.499 -2.506 -14.334 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.771 -2.909 -14.194 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.003 -4.081 -13.668 1.00 0.00 H new ATOM 1166 N ALA A 73 -4.554 -3.046 -8.907 1.00 0.00 N ATOM 1167 CA ALA A 73 -5.819 -2.750 -8.255 1.00 0.00 C ATOM 1168 C ALA A 73 -5.548 -2.133 -6.882 1.00 0.00 C ATOM 1169 O ALA A 73 -6.273 -1.241 -6.444 1.00 0.00 O ATOM 1170 CB ALA A 73 -6.657 -4.027 -8.165 1.00 0.00 C ATOM 0 H ALA A 73 -4.321 -4.038 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.390 -2.025 -8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.606 -3.806 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.846 -4.410 -9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.117 -4.777 -7.587 1.00 0.00 H new ATOM 1176 N LEU A 74 -4.502 -2.632 -6.239 1.00 0.00 N ATOM 1177 CA LEU A 74 -4.126 -2.141 -4.925 1.00 0.00 C ATOM 1178 C LEU A 74 -3.987 -0.618 -4.975 1.00 0.00 C ATOM 1179 O LEU A 74 -4.510 0.086 -4.113 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.871 -2.858 -4.423 1.00 0.00 C ATOM 1181 CG LEU A 74 -3.105 -4.049 -3.492 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -1.883 -4.968 -3.459 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -3.508 -3.580 -2.093 1.00 0.00 C ATOM 0 H LEU A 74 -3.903 -3.372 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.905 -2.366 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.304 -3.204 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.246 -2.132 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.936 -4.633 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.076 -5.806 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.683 -5.343 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.018 -4.410 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.668 -4.446 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.715 -2.960 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.428 -2.999 -2.155 1.00 0.00 H new ATOM 1195 N PHE A 75 -3.277 -0.154 -5.994 1.00 0.00 N ATOM 1196 CA PHE A 75 -3.062 1.272 -6.167 1.00 0.00 C ATOM 1197 C PHE A 75 -4.393 2.015 -6.302 1.00 0.00 C ATOM 1198 O PHE A 75 -4.592 3.057 -5.679 1.00 0.00 O ATOM 1199 CB PHE A 75 -2.260 1.449 -7.458 1.00 0.00 C ATOM 1200 CG PHE A 75 -1.321 2.657 -7.447 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -0.289 2.708 -6.564 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -1.520 3.681 -8.320 1.00 0.00 C ATOM 1203 CE1 PHE A 75 0.582 3.830 -6.553 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -0.649 4.802 -8.310 1.00 0.00 C ATOM 1205 CZ PHE A 75 0.384 4.853 -7.426 1.00 0.00 C ATOM 0 H PHE A 75 -2.844 -0.741 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.537 1.677 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.674 0.548 -7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.953 1.548 -8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.131 1.895 -5.871 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.341 3.641 -9.021 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.402 3.870 -5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.806 5.614 -9.004 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.046 5.706 -7.418 1.00 0.00 H new ATOM 1215 N GLN A 76 -5.269 1.450 -7.119 1.00 0.00 N ATOM 1216 CA GLN A 76 -6.575 2.046 -7.343 1.00 0.00 C ATOM 1217 C GLN A 76 -7.277 2.305 -6.008 1.00 0.00 C ATOM 1218 O GLN A 76 -8.043 3.258 -5.880 1.00 0.00 O ATOM 1219 CB GLN A 76 -7.433 1.162 -8.250 1.00 0.00 C ATOM 1220 CG GLN A 76 -6.934 1.213 -9.696 1.00 0.00 C ATOM 1221 CD GLN A 76 -7.983 0.651 -10.658 1.00 0.00 C ATOM 1222 OE1 GLN A 76 -9.170 0.913 -10.546 1.00 0.00 O ATOM 1223 NE2 GLN A 76 -7.482 -0.134 -11.607 1.00 0.00 N ATOM 0 H GLN A 76 -5.100 0.586 -7.634 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.434 3.001 -7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.410 0.134 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.471 1.491 -8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.700 2.242 -9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.010 0.642 -9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.478 -0.312 -11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.101 -0.558 -12.298 1.00 0.00 H new ATOM 1232 N SER A 77 -6.989 1.439 -5.047 1.00 0.00 N ATOM 1233 CA SER A 77 -7.583 1.563 -3.727 1.00 0.00 C ATOM 1234 C SER A 77 -7.257 2.934 -3.132 1.00 0.00 C ATOM 1235 O SER A 77 -8.158 3.721 -2.847 1.00 0.00 O ATOM 1236 CB SER A 77 -7.092 0.451 -2.797 1.00 0.00 C ATOM 1237 OG SER A 77 -7.846 0.395 -1.589 1.00 0.00 O ATOM 0 H SER A 77 -6.353 0.649 -5.156 1.00 0.00 H new ATOM 0 HA SER A 77 -8.664 1.466 -3.828 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.159 -0.508 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.040 0.613 -2.561 1.00 0.00 H new ATOM 0 HG SER A 77 -7.503 -0.328 -1.023 1.00 0.00 H new ATOM 1243 N PHE A 78 -5.965 3.179 -2.963 1.00 0.00 N ATOM 1244 CA PHE A 78 -5.509 4.442 -2.408 1.00 0.00 C ATOM 1245 C PHE A 78 -4.453 5.086 -3.307 1.00 0.00 C ATOM 1246 O PHE A 78 -3.627 4.392 -3.897 1.00 0.00 O ATOM 1247 CB PHE A 78 -4.883 4.132 -1.047 1.00 0.00 C ATOM 1248 CG PHE A 78 -4.188 2.770 -0.977 1.00 0.00 C ATOM 1249 CD1 PHE A 78 -4.920 1.643 -0.766 1.00 0.00 C ATOM 1250 CD2 PHE A 78 -2.839 2.687 -1.127 1.00 0.00 C ATOM 1251 CE1 PHE A 78 -4.275 0.380 -0.701 1.00 0.00 C ATOM 1252 CE2 PHE A 78 -2.194 1.423 -1.062 1.00 0.00 C ATOM 1253 CZ PHE A 78 -2.926 0.296 -0.851 1.00 0.00 C ATOM 0 H PHE A 78 -5.220 2.524 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.346 5.135 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.159 4.911 -0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.660 4.172 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.991 1.709 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.258 3.582 -1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.856 -0.515 -0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.123 1.357 -1.180 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.436 -0.665 -0.803 1.00 0.00 H new ATOM 1263 N GLU A 79 -4.515 6.408 -3.385 1.00 0.00 N ATOM 1264 CA GLU A 79 -3.574 7.154 -4.203 1.00 0.00 C ATOM 1265 C GLU A 79 -3.447 8.590 -3.689 1.00 0.00 C ATOM 1266 O GLU A 79 -4.032 8.941 -2.666 1.00 0.00 O ATOM 1267 CB GLU A 79 -3.990 7.133 -5.675 1.00 0.00 C ATOM 1268 CG GLU A 79 -2.787 6.860 -6.580 1.00 0.00 C ATOM 1269 CD GLU A 79 -3.223 6.179 -7.879 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -3.632 5.000 -7.793 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -3.137 6.851 -8.929 1.00 0.00 O ATOM 0 H GLU A 79 -5.202 6.981 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.598 6.674 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.749 6.366 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.442 8.088 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.279 7.797 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.069 6.228 -6.057 1.00 0.00 H new ATOM 1455 N ASP A 92 3.343 8.885 -10.499 1.00 0.00 N ATOM 1456 CA ASP A 92 2.306 8.479 -9.566 1.00 0.00 C ATOM 1457 C ASP A 92 2.954 7.857 -8.328 1.00 0.00 C ATOM 1458 O ASP A 92 3.578 6.800 -8.414 1.00 0.00 O ATOM 1459 CB ASP A 92 1.381 7.433 -10.192 1.00 0.00 C ATOM 1460 CG ASP A 92 0.972 7.715 -11.639 1.00 0.00 C ATOM 1461 OD1 ASP A 92 1.798 7.419 -12.530 1.00 0.00 O ATOM 1462 OD2 ASP A 92 -0.157 8.219 -11.822 1.00 0.00 O ATOM 0 HA ASP A 92 1.725 9.363 -9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.876 6.462 -10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.480 7.356 -9.584 1.00 0.00 H new ATOM 1467 N VAL A 93 2.784 8.539 -7.204 1.00 0.00 N ATOM 1468 CA VAL A 93 3.345 8.066 -5.950 1.00 0.00 C ATOM 1469 C VAL A 93 2.226 7.926 -4.917 1.00 0.00 C ATOM 1470 O VAL A 93 1.089 8.321 -5.171 1.00 0.00 O ATOM 1471 CB VAL A 93 4.467 9.000 -5.494 1.00 0.00 C ATOM 1472 CG1 VAL A 93 5.660 8.933 -6.450 1.00 0.00 C ATOM 1473 CG2 VAL A 93 3.960 10.436 -5.349 1.00 0.00 C ATOM 0 H VAL A 93 2.266 9.415 -7.136 1.00 0.00 H new ATOM 0 HA VAL A 93 3.793 7.081 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 93 4.805 8.664 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.443 9.607 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.045 7.914 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.343 9.231 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.778 11.079 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.582 10.787 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.159 10.466 -4.611 1.00 0.00 H new ATOM 1483 N VAL A 94 2.587 7.363 -3.773 1.00 0.00 N ATOM 1484 CA VAL A 94 1.627 7.167 -2.700 1.00 0.00 C ATOM 1485 C VAL A 94 2.302 7.460 -1.358 1.00 0.00 C ATOM 1486 O VAL A 94 3.511 7.287 -1.217 1.00 0.00 O ATOM 1487 CB VAL A 94 1.037 5.757 -2.777 1.00 0.00 C ATOM 1488 CG1 VAL A 94 0.103 5.488 -1.596 1.00 0.00 C ATOM 1489 CG2 VAL A 94 0.315 5.537 -4.108 1.00 0.00 C ATOM 0 H VAL A 94 3.531 7.036 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 94 0.792 7.860 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 94 1.861 5.046 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.303 4.479 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.659 5.583 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.714 6.209 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.095 4.527 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.494 6.260 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.019 5.666 -4.930 1.00 0.00 H new ATOM 1499 N CYS A 95 1.490 7.897 -0.407 1.00 0.00 N ATOM 1500 CA CYS A 95 1.993 8.216 0.919 1.00 0.00 C ATOM 1501 C CYS A 95 2.244 6.904 1.665 1.00 0.00 C ATOM 1502 O CYS A 95 1.499 5.939 1.499 1.00 0.00 O ATOM 1503 CB CYS A 95 1.036 9.133 1.682 1.00 0.00 C ATOM 1504 SG CYS A 95 1.917 9.947 3.064 1.00 0.00 S ATOM 0 H CYS A 95 0.487 8.038 -0.528 1.00 0.00 H new ATOM 0 HA CYS A 95 2.928 8.769 0.833 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.626 9.885 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.195 8.556 2.066 1.00 0.00 H new ATOM 0 HG CYS A 95 1.095 10.725 3.704 1.00 0.00 H new ATOM 1510 N LEU A 96 3.295 6.911 2.471 1.00 0.00 N ATOM 1511 CA LEU A 96 3.653 5.733 3.244 1.00 0.00 C ATOM 1512 C LEU A 96 2.619 5.521 4.351 1.00 0.00 C ATOM 1513 O LEU A 96 2.188 4.396 4.595 1.00 0.00 O ATOM 1514 CB LEU A 96 5.090 5.846 3.757 1.00 0.00 C ATOM 1515 CG LEU A 96 6.173 5.248 2.857 1.00 0.00 C ATOM 1516 CD1 LEU A 96 7.171 6.319 2.414 1.00 0.00 C ATOM 1517 CD2 LEU A 96 6.865 4.068 3.542 1.00 0.00 C ATOM 0 H LEU A 96 3.910 7.713 2.606 1.00 0.00 H new ATOM 0 HA LEU A 96 3.633 4.843 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.317 6.901 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.146 5.360 4.731 1.00 0.00 H new ATOM 0 HG LEU A 96 5.694 4.862 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.930 5.867 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.647 7.098 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.648 6.757 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.630 3.661 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.328 4.406 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.130 3.295 3.765 1.00 0.00 H new ATOM 1529 N ASN A 97 2.252 6.621 4.993 1.00 0.00 N ATOM 1530 CA ASN A 97 1.277 6.570 6.069 1.00 0.00 C ATOM 1531 C ASN A 97 -0.056 6.059 5.519 1.00 0.00 C ATOM 1532 O ASN A 97 -0.780 5.338 6.205 1.00 0.00 O ATOM 1533 CB ASN A 97 1.041 7.959 6.665 1.00 0.00 C ATOM 1534 CG ASN A 97 0.174 7.876 7.923 1.00 0.00 C ATOM 1535 OD1 ASN A 97 0.660 7.813 9.040 1.00 0.00 O ATOM 1536 ND2 ASN A 97 -1.133 7.878 7.680 1.00 0.00 N ATOM 0 H ASN A 97 2.613 7.553 4.788 1.00 0.00 H new ATOM 0 HA ASN A 97 1.663 5.907 6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.998 8.422 6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.557 8.598 5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.796 7.825 8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.473 7.933 6.720 1.00 0.00 H new ATOM 1543 N ASP A 98 -0.341 6.452 4.286 1.00 0.00 N ATOM 1544 CA ASP A 98 -1.575 6.043 3.636 1.00 0.00 C ATOM 1545 C ASP A 98 -1.619 4.516 3.550 1.00 0.00 C ATOM 1546 O ASP A 98 -2.634 3.902 3.875 1.00 0.00 O ATOM 1547 CB ASP A 98 -1.658 6.599 2.213 1.00 0.00 C ATOM 1548 CG ASP A 98 -2.413 7.923 2.079 1.00 0.00 C ATOM 1549 OD1 ASP A 98 -2.702 8.521 3.138 1.00 0.00 O ATOM 1550 OD2 ASP A 98 -2.685 8.307 0.921 1.00 0.00 O ATOM 0 H ASP A 98 0.261 7.049 3.720 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.409 6.428 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.646 6.735 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.140 5.857 1.577 1.00 0.00 H new ATOM 1555 N VAL A 99 -0.506 3.947 3.112 1.00 0.00 N ATOM 1556 CA VAL A 99 -0.404 2.504 2.979 1.00 0.00 C ATOM 1557 C VAL A 99 -0.404 1.867 4.371 1.00 0.00 C ATOM 1558 O VAL A 99 -0.854 0.735 4.539 1.00 0.00 O ATOM 1559 CB VAL A 99 0.832 2.139 2.155 1.00 0.00 C ATOM 1560 CG1 VAL A 99 0.941 0.624 1.972 1.00 0.00 C ATOM 1561 CG2 VAL A 99 0.821 2.856 0.803 1.00 0.00 C ATOM 0 H VAL A 99 0.334 4.460 2.844 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.265 2.109 2.440 1.00 0.00 H new ATOM 0 HB VAL A 99 1.712 2.474 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.828 0.392 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.018 0.144 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.055 0.255 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.710 2.579 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.069 2.566 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.814 3.934 0.963 1.00 0.00 H new ATOM 1571 N SER A 100 0.105 2.623 5.332 1.00 0.00 N ATOM 1572 CA SER A 100 0.170 2.147 6.703 1.00 0.00 C ATOM 1573 C SER A 100 -1.227 2.162 7.329 1.00 0.00 C ATOM 1574 O SER A 100 -1.514 1.381 8.234 1.00 0.00 O ATOM 1575 CB SER A 100 1.134 2.994 7.536 1.00 0.00 C ATOM 1576 OG SER A 100 1.243 2.518 8.875 1.00 0.00 O ATOM 0 H SER A 100 0.476 3.562 5.188 1.00 0.00 H new ATOM 0 HA SER A 100 0.546 1.124 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.118 2.988 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.792 4.029 7.546 1.00 0.00 H new ATOM 0 HG SER A 100 1.868 3.084 9.374 1.00 0.00 H new ATOM 1582 N CYS A 101 -2.057 3.061 6.822 1.00 0.00 N ATOM 1583 CA CYS A 101 -3.417 3.188 7.319 1.00 0.00 C ATOM 1584 C CYS A 101 -4.250 2.045 6.738 1.00 0.00 C ATOM 1585 O CYS A 101 -4.958 1.353 7.469 1.00 0.00 O ATOM 1586 CB CYS A 101 -4.015 4.557 6.987 1.00 0.00 C ATOM 1587 SG CYS A 101 -5.255 5.022 8.251 1.00 0.00 S ATOM 0 H CYS A 101 -1.815 3.709 6.072 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.417 3.119 8.407 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -3.226 5.308 6.947 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -4.480 4.530 6.002 1.00 0.00 H new ATOM 0 HG CYS A 101 -5.755 6.187 7.961 1.00 0.00 H new ATOM 1593 N TYR A 102 -4.140 1.882 5.428 1.00 0.00 N ATOM 1594 CA TYR A 102 -4.875 0.834 4.739 1.00 0.00 C ATOM 1595 C TYR A 102 -4.598 -0.533 5.367 1.00 0.00 C ATOM 1596 O TYR A 102 -5.523 -1.226 5.789 1.00 0.00 O ATOM 1597 CB TYR A 102 -4.360 0.834 3.299 1.00 0.00 C ATOM 1598 CG TYR A 102 -4.776 -0.396 2.489 1.00 0.00 C ATOM 1599 CD1 TYR A 102 -6.088 -0.549 2.092 1.00 0.00 C ATOM 1600 CD2 TYR A 102 -3.838 -1.352 2.156 1.00 0.00 C ATOM 1601 CE1 TYR A 102 -6.480 -1.706 1.330 1.00 0.00 C ATOM 1602 CE2 TYR A 102 -4.229 -2.510 1.394 1.00 0.00 C ATOM 1603 CZ TYR A 102 -5.531 -2.630 1.019 1.00 0.00 C ATOM 1604 OH TYR A 102 -5.901 -3.723 0.299 1.00 0.00 O ATOM 0 H TYR A 102 -3.553 2.458 4.825 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.948 1.015 4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.724 1.729 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.272 0.896 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.822 0.199 2.353 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.811 -1.232 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.504 -1.837 1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.505 -3.266 1.127 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.651 -3.490 -0.287 1.00 0.00 H new ATOM 1614 N PHE A 103 -3.320 -0.881 5.410 1.00 0.00 N ATOM 1615 CA PHE A 103 -2.909 -2.153 5.980 1.00 0.00 C ATOM 1616 C PHE A 103 -3.193 -2.199 7.482 1.00 0.00 C ATOM 1617 O PHE A 103 -3.458 -3.265 8.036 1.00 0.00 O ATOM 1618 CB PHE A 103 -1.401 -2.279 5.753 1.00 0.00 C ATOM 1619 CG PHE A 103 -1.014 -2.620 4.313 1.00 0.00 C ATOM 1620 CD1 PHE A 103 -1.709 -3.567 3.628 1.00 0.00 C ATOM 1621 CD2 PHE A 103 0.025 -1.975 3.717 1.00 0.00 C ATOM 1622 CE1 PHE A 103 -1.350 -3.883 2.291 1.00 0.00 C ATOM 1623 CE2 PHE A 103 0.384 -2.292 2.380 1.00 0.00 C ATOM 1624 CZ PHE A 103 -0.311 -3.239 1.696 1.00 0.00 C ATOM 0 H PHE A 103 -2.555 -0.304 5.059 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.460 -2.967 5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.922 -1.341 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.007 -3.049 6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.534 -4.079 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.577 -1.222 4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.902 -4.635 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.209 -1.781 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.038 -3.480 0.679 1.00 0.00 H new ATOM 1634 N SER A 104 -3.128 -1.028 8.100 1.00 0.00 N ATOM 1635 CA SER A 104 -3.374 -0.921 9.528 1.00 0.00 C ATOM 1636 C SER A 104 -4.781 -1.426 9.855 1.00 0.00 C ATOM 1637 O SER A 104 -5.015 -1.962 10.937 1.00 0.00 O ATOM 1638 CB SER A 104 -3.203 0.521 10.009 1.00 0.00 C ATOM 1639 OG SER A 104 -3.992 0.796 11.163 1.00 0.00 O ATOM 0 H SER A 104 -2.909 -0.146 7.638 1.00 0.00 H new ATOM 0 HA SER A 104 -2.642 -1.539 10.049 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.153 0.705 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.481 1.206 9.208 1.00 0.00 H new ATOM 0 HG SER A 104 -3.854 1.726 11.440 1.00 0.00 H new ATOM 1645 N LEU A 105 -5.680 -1.238 8.901 1.00 0.00 N ATOM 1646 CA LEU A 105 -7.057 -1.668 9.074 1.00 0.00 C ATOM 1647 C LEU A 105 -7.132 -3.190 8.942 1.00 0.00 C ATOM 1648 O LEU A 105 -7.795 -3.854 9.737 1.00 0.00 O ATOM 1649 CB LEU A 105 -7.978 -0.921 8.107 1.00 0.00 C ATOM 1650 CG LEU A 105 -8.751 0.261 8.696 1.00 0.00 C ATOM 1651 CD1 LEU A 105 -9.783 -0.214 9.720 1.00 0.00 C ATOM 1652 CD2 LEU A 105 -7.797 1.303 9.284 1.00 0.00 C ATOM 0 H LEU A 105 -5.482 -0.793 8.005 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.411 -1.416 10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.378 -0.558 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.696 -1.632 7.698 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.299 0.746 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.318 0.646 10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.491 -0.888 9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.277 -0.739 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.373 2.132 9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.202 0.846 10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.136 1.674 8.501 1.00 0.00 H new ATOM 1664 N LEU A 106 -6.442 -3.699 7.932 1.00 0.00 N ATOM 1665 CA LEU A 106 -6.422 -5.131 7.686 1.00 0.00 C ATOM 1666 C LEU A 106 -5.987 -5.857 8.960 1.00 0.00 C ATOM 1667 O LEU A 106 -6.713 -6.707 9.473 1.00 0.00 O ATOM 1668 CB LEU A 106 -5.554 -5.453 6.467 1.00 0.00 C ATOM 1669 CG LEU A 106 -6.300 -5.926 5.218 1.00 0.00 C ATOM 1670 CD1 LEU A 106 -6.584 -4.756 4.274 1.00 0.00 C ATOM 1671 CD2 LEU A 106 -5.539 -7.054 4.520 1.00 0.00 C ATOM 0 H LEU A 106 -5.893 -3.145 7.275 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.422 -5.490 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.981 -4.562 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.836 -6.223 6.750 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.263 -6.331 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.115 -5.119 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.197 -4.015 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.643 -4.299 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.091 -7.372 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.552 -6.698 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.431 -7.897 5.203 1.00 0.00 H new ATOM 1683 N GLU A 107 -4.803 -5.496 9.434 1.00 0.00 N ATOM 1684 CA GLU A 107 -4.263 -6.103 10.639 1.00 0.00 C ATOM 1685 C GLU A 107 -5.269 -5.992 11.786 1.00 0.00 C ATOM 1686 O GLU A 107 -5.548 -6.977 12.469 1.00 0.00 O ATOM 1687 CB GLU A 107 -2.925 -5.467 11.020 1.00 0.00 C ATOM 1688 CG GLU A 107 -1.757 -6.222 10.382 1.00 0.00 C ATOM 1689 CD GLU A 107 -0.447 -5.927 11.116 1.00 0.00 C ATOM 1690 OE1 GLU A 107 -0.513 -5.769 12.354 1.00 0.00 O ATOM 1691 OE2 GLU A 107 0.590 -5.865 10.421 1.00 0.00 O ATOM 0 H GLU A 107 -4.203 -4.791 9.006 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.083 -7.160 10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -2.909 -4.426 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.814 -5.467 12.104 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.957 -7.293 10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.663 -5.936 9.334 1.00 0.00 H new