USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 765 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 74 CYS SG : rot 180:sc= -1.47 USER MOD Set 1.2: A 132 ASN : amide:sc= -0.532 K(o=-2,f=-9.4!) USER MOD Set 2.1: A 26 THR OG1 : rot 108:sc= 1.28 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -2.11! C(o=-0.83!,f=-9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0612 K(o=-0.061,f=-0.61) USER MOD Single : A 66 CYS SG : rot -165:sc= 0.36 USER MOD Single : A 72 THR OG1 : rot -130:sc= 0.41 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.266 K(o=-0.27,f=-1) USER MOD Single : A 87 MET CE :methyl -159:sc= -6.96! (180deg=-9.28!) USER MOD Single : A 88 LYS NZ :NH3+ -136:sc= 1.3 (180deg=-0.492) USER MOD Single : A 92 THR OG1 : rot 90:sc= -2.07 USER MOD Single : A 97 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.5!) USER MOD Single : A 98 SER OG : rot 180:sc= -1.14 USER MOD Single : A 102 MET CE :methyl -170:sc= -5.39! (180deg=-5.72!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -89:sc= -0.0939 USER MOD Single : A 107 MET CE :methyl -133:sc= -0.791 (180deg=-3.69!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -155:sc= -0.154 (180deg=-0.888) USER MOD Single : A 131 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.33) USER MOD Single : A 134 SER OG : rot 38:sc= 0.168! USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.584 0.476 -5.390 1.00 0.00 N ATOM 206 CA PHE A 16 15.146 0.273 -5.420 1.00 0.00 C ATOM 207 C PHE A 16 14.430 1.502 -5.985 1.00 0.00 C ATOM 208 O PHE A 16 15.040 2.557 -6.153 1.00 0.00 O ATOM 209 CB PHE A 16 14.694 0.054 -3.975 1.00 0.00 C ATOM 210 CG PHE A 16 15.173 -1.265 -3.366 1.00 0.00 C ATOM 211 CD1 PHE A 16 16.505 -1.516 -3.250 1.00 0.00 C ATOM 212 CD2 PHE A 16 14.268 -2.187 -2.942 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.950 -2.741 -2.685 1.00 0.00 C ATOM 214 CE2 PHE A 16 14.713 -3.412 -2.378 1.00 0.00 C ATOM 215 CZ PHE A 16 16.044 -3.663 -2.261 1.00 0.00 C ATOM 0 HA PHE A 16 14.904 -0.579 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.058 0.879 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.605 0.086 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 16 17.224 -0.784 -3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 16 13.211 -1.988 -3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 16 18.007 -2.940 -2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.994 -4.144 -2.042 1.00 0.00 H new ATOM 0 HZ PHE A 16 16.382 -4.594 -1.831 1.00 0.00 H new ATOM 225 N VAL A 17 13.147 1.325 -6.262 1.00 0.00 N ATOM 226 CA VAL A 17 12.342 2.406 -6.804 1.00 0.00 C ATOM 227 C VAL A 17 11.607 3.111 -5.663 1.00 0.00 C ATOM 228 O VAL A 17 11.661 2.666 -4.517 1.00 0.00 O ATOM 229 CB VAL A 17 11.398 1.867 -7.881 1.00 0.00 C ATOM 230 CG1 VAL A 17 10.392 0.881 -7.283 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.682 3.009 -8.605 1.00 0.00 C ATOM 0 H VAL A 17 12.645 0.449 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 17 12.976 3.148 -7.289 1.00 0.00 H new ATOM 0 HB VAL A 17 11.999 1.330 -8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.733 0.512 -8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.926 0.043 -6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.800 1.384 -6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.018 2.598 -9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.099 3.586 -7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.419 3.658 -9.079 1.00 0.00 H new ATOM 241 N LYS A 18 10.937 4.198 -6.015 1.00 0.00 N ATOM 242 CA LYS A 18 10.192 4.969 -5.034 1.00 0.00 C ATOM 243 C LYS A 18 8.722 5.037 -5.455 1.00 0.00 C ATOM 244 O LYS A 18 8.368 4.619 -6.556 1.00 0.00 O ATOM 245 CB LYS A 18 10.837 6.341 -4.828 1.00 0.00 C ATOM 246 CG LYS A 18 12.231 6.205 -4.214 1.00 0.00 C ATOM 247 CD LYS A 18 12.234 6.659 -2.753 1.00 0.00 C ATOM 248 CE LYS A 18 13.477 7.493 -2.439 1.00 0.00 C ATOM 249 NZ LYS A 18 13.990 7.172 -1.088 1.00 0.00 N ATOM 0 H LYS A 18 10.894 4.564 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 18 10.223 4.479 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.906 6.862 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.207 6.949 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.560 5.168 -4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.943 6.801 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.338 7.245 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.201 5.788 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.250 7.299 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.235 8.554 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.834 7.747 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.257 7.379 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.240 6.164 -1.042 1.00 0.00 H new ATOM 263 N VAL A 19 7.907 5.567 -4.555 1.00 0.00 N ATOM 264 CA VAL A 19 6.484 5.696 -4.819 1.00 0.00 C ATOM 265 C VAL A 19 6.256 6.821 -5.831 1.00 0.00 C ATOM 266 O VAL A 19 5.457 6.678 -6.755 1.00 0.00 O ATOM 267 CB VAL A 19 5.725 5.908 -3.508 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.237 6.149 -3.768 1.00 0.00 C ATOM 269 CG2 VAL A 19 5.931 4.728 -2.557 1.00 0.00 C ATOM 0 H VAL A 19 8.205 5.912 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 19 6.094 4.779 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 19 6.130 6.799 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.721 6.297 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.115 7.036 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.813 5.286 -4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.380 4.905 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.567 3.814 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.992 4.623 -2.332 1.00 0.00 H new ATOM 279 N GLU A 20 6.974 7.915 -5.622 1.00 0.00 N ATOM 280 CA GLU A 20 6.861 9.064 -6.504 1.00 0.00 C ATOM 281 C GLU A 20 7.447 8.738 -7.879 1.00 0.00 C ATOM 282 O GLU A 20 7.334 9.532 -8.811 1.00 0.00 O ATOM 283 CB GLU A 20 7.540 10.292 -5.895 1.00 0.00 C ATOM 284 CG GLU A 20 9.062 10.128 -5.885 1.00 0.00 C ATOM 285 CD GLU A 20 9.758 11.480 -5.716 1.00 0.00 C ATOM 286 OE1 GLU A 20 9.670 12.027 -4.596 1.00 0.00 O ATOM 287 OE2 GLU A 20 10.362 11.935 -6.711 1.00 0.00 O ATOM 0 H GLU A 20 7.636 8.030 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 20 5.804 9.299 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.270 11.181 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.180 10.444 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.354 9.461 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.387 9.661 -6.815 1.00 0.00 H new ATOM 294 N GLN A 21 8.063 7.567 -7.961 1.00 0.00 N ATOM 295 CA GLN A 21 8.667 7.126 -9.207 1.00 0.00 C ATOM 296 C GLN A 21 7.672 6.290 -10.013 1.00 0.00 C ATOM 297 O GLN A 21 7.873 6.057 -11.204 1.00 0.00 O ATOM 298 CB GLN A 21 9.955 6.342 -8.944 1.00 0.00 C ATOM 299 CG GLN A 21 11.187 7.225 -9.155 1.00 0.00 C ATOM 300 CD GLN A 21 12.420 6.378 -9.474 1.00 0.00 C ATOM 301 OE1 GLN A 21 12.524 5.755 -10.518 1.00 0.00 O ATOM 302 NE2 GLN A 21 13.346 6.389 -8.520 1.00 0.00 N ATOM 0 H GLN A 21 8.157 6.911 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 21 8.929 8.007 -9.793 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.949 5.957 -7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.003 5.480 -9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.002 7.925 -9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.371 7.819 -8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.196 6.932 -7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.207 5.854 -8.638 1.00 0.00 H new ATOM 311 N LEU A 22 6.619 5.861 -9.332 1.00 0.00 N ATOM 312 CA LEU A 22 5.592 5.056 -9.971 1.00 0.00 C ATOM 313 C LEU A 22 4.894 5.888 -11.048 1.00 0.00 C ATOM 314 O LEU A 22 4.861 7.115 -10.965 1.00 0.00 O ATOM 315 CB LEU A 22 4.637 4.478 -8.924 1.00 0.00 C ATOM 316 CG LEU A 22 5.290 3.727 -7.762 1.00 0.00 C ATOM 317 CD1 LEU A 22 4.251 3.336 -6.709 1.00 0.00 C ATOM 318 CD2 LEU A 22 6.079 2.517 -8.265 1.00 0.00 C ATOM 0 H LEU A 22 6.455 6.056 -8.344 1.00 0.00 H new ATOM 0 HA LEU A 22 6.038 4.197 -10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.042 5.294 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.946 3.800 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 22 6.001 4.397 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.741 2.804 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.772 4.234 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.498 2.691 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.533 2.001 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.407 1.836 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.860 2.850 -8.948 1.00 0.00 H new ATOM 330 N LYS A 23 4.353 5.187 -12.034 1.00 0.00 N ATOM 331 CA LYS A 23 3.658 5.846 -13.126 1.00 0.00 C ATOM 332 C LYS A 23 2.703 4.852 -13.791 1.00 0.00 C ATOM 333 O LYS A 23 2.881 3.641 -13.671 1.00 0.00 O ATOM 334 CB LYS A 23 4.659 6.478 -14.095 1.00 0.00 C ATOM 335 CG LYS A 23 4.977 7.920 -13.693 1.00 0.00 C ATOM 336 CD LYS A 23 5.008 8.837 -14.917 1.00 0.00 C ATOM 337 CE LYS A 23 6.085 8.392 -15.908 1.00 0.00 C ATOM 338 NZ LYS A 23 7.242 9.314 -15.864 1.00 0.00 N ATOM 0 H LYS A 23 4.382 4.169 -12.099 1.00 0.00 H new ATOM 0 HA LYS A 23 3.051 6.669 -12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.577 5.890 -14.110 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.253 6.460 -15.106 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.229 8.277 -12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.940 7.955 -13.183 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.034 8.830 -15.406 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.200 9.863 -14.603 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.410 7.379 -15.670 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.671 8.366 -16.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.964 8.998 -16.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.930 10.274 -16.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.646 9.319 -14.906 1.00 0.00 H new ATOM 352 N PRO A 24 1.684 5.416 -14.494 1.00 0.00 N ATOM 353 CA PRO A 24 0.701 4.592 -15.177 1.00 0.00 C ATOM 354 C PRO A 24 1.288 3.981 -16.451 1.00 0.00 C ATOM 355 O PRO A 24 0.752 4.174 -17.541 1.00 0.00 O ATOM 356 CB PRO A 24 -0.470 5.523 -15.450 1.00 0.00 C ATOM 357 CG PRO A 24 0.082 6.934 -15.329 1.00 0.00 C ATOM 358 CD PRO A 24 1.443 6.846 -14.657 1.00 0.00 C ATOM 0 HA PRO A 24 0.383 3.736 -14.582 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.884 5.349 -16.443 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.276 5.356 -14.736 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.171 7.395 -16.313 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.593 7.559 -14.744 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.217 7.311 -15.268 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.444 7.360 -13.696 1.00 0.00 H new ATOM 366 N GLY A 25 2.382 3.255 -16.271 1.00 0.00 N ATOM 367 CA GLY A 25 3.047 2.613 -17.392 1.00 0.00 C ATOM 368 C GLY A 25 4.313 1.886 -16.935 1.00 0.00 C ATOM 369 O GLY A 25 5.376 2.046 -17.533 1.00 0.00 O ATOM 0 H GLY A 25 2.824 3.097 -15.366 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.367 1.904 -17.865 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.303 3.360 -18.144 1.00 0.00 H new ATOM 373 N THR A 26 4.158 1.101 -15.879 1.00 0.00 N ATOM 374 CA THR A 26 5.275 0.348 -15.335 1.00 0.00 C ATOM 375 C THR A 26 4.774 -0.913 -14.627 1.00 0.00 C ATOM 376 O THR A 26 3.657 -0.938 -14.113 1.00 0.00 O ATOM 377 CB THR A 26 6.074 1.281 -14.422 1.00 0.00 C ATOM 378 OG1 THR A 26 5.104 1.787 -13.509 1.00 0.00 O ATOM 379 CG2 THR A 26 6.581 2.524 -15.155 1.00 0.00 C ATOM 0 H THR A 26 3.275 0.970 -15.385 1.00 0.00 H new ATOM 0 HA THR A 26 5.938 -0.003 -16.126 1.00 0.00 H new ATOM 0 HB THR A 26 6.920 0.739 -14.000 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.240 1.380 -12.628 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.141 3.152 -14.462 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.230 2.222 -15.977 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.734 3.085 -15.549 1.00 0.00 H new ATOM 387 N THR A 27 5.626 -1.928 -14.622 1.00 0.00 N ATOM 388 CA THR A 27 5.284 -3.188 -13.986 1.00 0.00 C ATOM 389 C THR A 27 6.469 -3.715 -13.174 1.00 0.00 C ATOM 390 O THR A 27 7.593 -3.240 -13.331 1.00 0.00 O ATOM 391 CB THR A 27 4.816 -4.156 -15.074 1.00 0.00 C ATOM 392 OG1 THR A 27 5.709 -3.917 -16.159 1.00 0.00 O ATOM 393 CG2 THR A 27 3.441 -3.785 -15.635 1.00 0.00 C ATOM 0 H THR A 27 6.552 -1.903 -15.048 1.00 0.00 H new ATOM 0 HA THR A 27 4.471 -3.061 -13.271 1.00 0.00 H new ATOM 0 HB THR A 27 4.783 -5.168 -14.670 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.478 -4.505 -16.908 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.156 -4.503 -16.403 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.704 -3.801 -14.832 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.483 -2.786 -16.070 1.00 0.00 H new ATOM 401 N GLY A 28 6.178 -4.689 -12.325 1.00 0.00 N ATOM 402 CA GLY A 28 7.206 -5.285 -11.489 1.00 0.00 C ATOM 403 C GLY A 28 8.126 -4.213 -10.902 1.00 0.00 C ATOM 404 O GLY A 28 9.109 -3.821 -11.531 1.00 0.00 O ATOM 0 H GLY A 28 5.245 -5.081 -12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.740 -5.851 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.793 -5.991 -12.076 1.00 0.00 H new ATOM 408 N HIS A 29 7.775 -3.767 -9.705 1.00 0.00 N ATOM 409 CA HIS A 29 8.557 -2.747 -9.027 1.00 0.00 C ATOM 410 C HIS A 29 9.171 -3.333 -7.754 1.00 0.00 C ATOM 411 O HIS A 29 8.689 -4.338 -7.233 1.00 0.00 O ATOM 412 CB HIS A 29 7.710 -1.502 -8.758 1.00 0.00 C ATOM 413 CG HIS A 29 7.335 -0.734 -10.003 1.00 0.00 C ATOM 414 ND1 HIS A 29 8.199 0.146 -10.630 1.00 0.00 N ATOM 415 CD2 HIS A 29 6.181 -0.724 -10.730 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.583 0.657 -11.686 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.331 0.117 -11.745 1.00 0.00 N ATOM 0 H HIS A 29 6.959 -4.093 -9.187 1.00 0.00 H new ATOM 0 HA HIS A 29 9.377 -2.425 -9.669 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.799 -1.800 -8.239 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.258 -0.841 -8.087 1.00 0.00 H new ATOM 0 HD1 HIS A 29 9.149 0.364 -10.330 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.295 -1.303 -10.516 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.998 1.374 -12.378 1.00 0.00 H new ATOM 425 N THR A 30 10.226 -2.680 -7.289 1.00 0.00 N ATOM 426 CA THR A 30 10.910 -3.123 -6.086 1.00 0.00 C ATOM 427 C THR A 30 11.293 -1.924 -5.218 1.00 0.00 C ATOM 428 O THR A 30 12.228 -1.192 -5.541 1.00 0.00 O ATOM 429 CB THR A 30 12.109 -3.973 -6.511 1.00 0.00 C ATOM 430 OG1 THR A 30 11.548 -4.958 -7.375 1.00 0.00 O ATOM 431 CG2 THR A 30 12.694 -4.783 -5.352 1.00 0.00 C ATOM 0 H THR A 30 10.624 -1.847 -7.724 1.00 0.00 H new ATOM 0 HA THR A 30 10.260 -3.739 -5.465 1.00 0.00 H new ATOM 0 HB THR A 30 12.882 -3.327 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.257 -5.552 -7.698 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.542 -5.368 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.026 -4.105 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.932 -5.454 -4.955 1.00 0.00 H new ATOM 439 N LEU A 31 10.552 -1.759 -4.132 1.00 0.00 N ATOM 440 CA LEU A 31 10.803 -0.661 -3.214 1.00 0.00 C ATOM 441 C LEU A 31 10.304 -1.044 -1.819 1.00 0.00 C ATOM 442 O LEU A 31 9.529 -1.987 -1.670 1.00 0.00 O ATOM 443 CB LEU A 31 10.192 0.635 -3.750 1.00 0.00 C ATOM 444 CG LEU A 31 8.664 0.682 -3.810 1.00 0.00 C ATOM 445 CD1 LEU A 31 8.186 1.765 -4.780 1.00 0.00 C ATOM 446 CD2 LEU A 31 8.086 -0.691 -4.156 1.00 0.00 C ATOM 0 H LEU A 31 9.777 -2.368 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 31 11.873 -0.472 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.537 1.461 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.581 0.809 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 31 8.292 0.948 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.096 1.777 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.553 2.737 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.568 1.553 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.998 -0.629 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.464 -1.011 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.383 -1.413 -3.396 1.00 0.00 H new ATOM 458 N THR A 32 10.770 -0.293 -0.832 1.00 0.00 N ATOM 459 CA THR A 32 10.382 -0.542 0.546 1.00 0.00 C ATOM 460 C THR A 32 9.240 0.391 0.955 1.00 0.00 C ATOM 461 O THR A 32 9.446 1.591 1.130 1.00 0.00 O ATOM 462 CB THR A 32 11.628 -0.397 1.422 1.00 0.00 C ATOM 463 OG1 THR A 32 12.630 -1.131 0.724 1.00 0.00 O ATOM 464 CG2 THR A 32 11.492 -1.130 2.758 1.00 0.00 C ATOM 0 H THR A 32 11.413 0.489 -0.959 1.00 0.00 H new ATOM 0 HA THR A 32 9.995 -1.553 0.671 1.00 0.00 H new ATOM 0 HB THR A 32 11.822 0.660 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.473 -1.088 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.403 -0.995 3.341 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.644 -0.725 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.332 -2.193 2.575 1.00 0.00 H new ATOM 472 N VAL A 33 8.060 -0.197 1.095 1.00 0.00 N ATOM 473 CA VAL A 33 6.885 0.566 1.480 1.00 0.00 C ATOM 474 C VAL A 33 6.599 0.339 2.965 1.00 0.00 C ATOM 475 O VAL A 33 6.678 -0.789 3.451 1.00 0.00 O ATOM 476 CB VAL A 33 5.704 0.198 0.580 1.00 0.00 C ATOM 477 CG1 VAL A 33 6.005 0.530 -0.883 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.330 -1.277 0.742 1.00 0.00 C ATOM 0 H VAL A 33 7.893 -1.193 0.949 1.00 0.00 H new ATOM 0 HA VAL A 33 7.060 1.633 1.343 1.00 0.00 H new ATOM 0 HB VAL A 33 4.847 0.797 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.149 0.259 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.199 1.598 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.881 -0.030 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.488 -1.512 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.182 -1.900 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.053 -1.470 1.778 1.00 0.00 H new ATOM 488 N LYS A 34 6.272 1.427 3.646 1.00 0.00 N ATOM 489 CA LYS A 34 5.974 1.361 5.066 1.00 0.00 C ATOM 490 C LYS A 34 4.472 1.564 5.278 1.00 0.00 C ATOM 491 O LYS A 34 3.924 2.599 4.902 1.00 0.00 O ATOM 492 CB LYS A 34 6.844 2.350 5.844 1.00 0.00 C ATOM 493 CG LYS A 34 6.514 2.315 7.338 1.00 0.00 C ATOM 494 CD LYS A 34 6.137 3.707 7.848 1.00 0.00 C ATOM 495 CE LYS A 34 6.086 3.735 9.377 1.00 0.00 C ATOM 496 NZ LYS A 34 5.013 4.641 9.844 1.00 0.00 N ATOM 0 H LYS A 34 6.207 2.360 3.240 1.00 0.00 H new ATOM 0 HA LYS A 34 6.222 0.376 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.897 2.109 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.690 3.357 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.691 1.623 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.372 1.940 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.863 4.438 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.167 3.997 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.913 2.729 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.046 4.065 9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.993 4.648 10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.195 5.604 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.096 4.309 9.482 1.00 0.00 H new ATOM 510 N VAL A 35 3.850 0.561 5.879 1.00 0.00 N ATOM 511 CA VAL A 35 2.423 0.617 6.145 1.00 0.00 C ATOM 512 C VAL A 35 2.147 1.691 7.199 1.00 0.00 C ATOM 513 O VAL A 35 2.949 1.894 8.109 1.00 0.00 O ATOM 514 CB VAL A 35 1.912 -0.766 6.552 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.400 -0.876 6.343 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.651 -1.870 5.793 1.00 0.00 C ATOM 0 H VAL A 35 4.308 -0.296 6.190 1.00 0.00 H new ATOM 0 HA VAL A 35 1.877 0.898 5.244 1.00 0.00 H new ATOM 0 HB VAL A 35 2.114 -0.897 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.063 -1.869 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.107 -0.125 6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.165 -0.713 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.268 -2.843 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.495 -1.742 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.717 -1.813 6.014 1.00 0.00 H new ATOM 526 N ILE A 36 1.008 2.350 7.041 1.00 0.00 N ATOM 527 CA ILE A 36 0.616 3.398 7.969 1.00 0.00 C ATOM 528 C ILE A 36 -0.718 3.025 8.619 1.00 0.00 C ATOM 529 O ILE A 36 -0.858 3.093 9.839 1.00 0.00 O ATOM 530 CB ILE A 36 0.599 4.757 7.265 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.656 4.816 6.161 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.757 5.898 8.272 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.066 4.870 6.753 1.00 0.00 C ATOM 0 H ILE A 36 0.345 2.179 6.285 1.00 0.00 H new ATOM 0 HA ILE A 36 1.347 3.490 8.772 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.373 4.882 6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.562 3.943 5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.486 5.693 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.742 6.852 7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.063 5.866 8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.705 5.789 8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.798 4.911 5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.164 5.757 7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.241 3.980 7.357 1.00 0.00 H new ATOM 545 N GLU A 37 -1.663 2.639 7.775 1.00 0.00 N ATOM 546 CA GLU A 37 -2.981 2.255 8.252 1.00 0.00 C ATOM 547 C GLU A 37 -3.484 1.027 7.491 1.00 0.00 C ATOM 548 O GLU A 37 -2.936 0.670 6.449 1.00 0.00 O ATOM 549 CB GLU A 37 -3.968 3.418 8.130 1.00 0.00 C ATOM 550 CG GLU A 37 -3.381 4.700 8.723 1.00 0.00 C ATOM 551 CD GLU A 37 -4.415 5.429 9.584 1.00 0.00 C ATOM 552 OE1 GLU A 37 -5.611 5.336 9.235 1.00 0.00 O ATOM 553 OE2 GLU A 37 -3.984 6.063 10.571 1.00 0.00 O ATOM 0 H GLU A 37 -1.543 2.584 6.764 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.903 1.997 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.218 3.579 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.896 3.167 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.506 4.459 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.044 5.355 7.920 1.00 0.00 H new ATOM 560 N ALA A 38 -4.521 0.413 8.042 1.00 0.00 N ATOM 561 CA ALA A 38 -5.104 -0.769 7.429 1.00 0.00 C ATOM 562 C ALA A 38 -6.574 -0.878 7.838 1.00 0.00 C ATOM 563 O ALA A 38 -6.880 -1.226 8.977 1.00 0.00 O ATOM 564 CB ALA A 38 -4.294 -2.004 7.828 1.00 0.00 C ATOM 0 H ALA A 38 -4.973 0.712 8.906 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.069 -0.694 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.731 -2.890 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.265 -1.889 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.308 -2.114 8.912 1.00 0.00 H new ATOM 570 N ASN A 39 -7.444 -0.574 6.886 1.00 0.00 N ATOM 571 CA ASN A 39 -8.875 -0.633 7.133 1.00 0.00 C ATOM 572 C ASN A 39 -9.544 -1.457 6.031 1.00 0.00 C ATOM 573 O ASN A 39 -9.158 -1.372 4.867 1.00 0.00 O ATOM 574 CB ASN A 39 -9.495 0.765 7.122 1.00 0.00 C ATOM 575 CG ASN A 39 -8.413 1.845 7.191 1.00 0.00 C ATOM 576 OD1 ASN A 39 -7.677 2.084 6.247 1.00 0.00 O ATOM 577 ND2 ASN A 39 -8.357 2.482 8.357 1.00 0.00 N ATOM 0 H ASN A 39 -7.186 -0.286 5.942 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.030 -1.087 8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.088 0.897 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.175 0.872 7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.668 3.220 8.502 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.003 2.233 9.106 1.00 0.00 H new ATOM 584 N ILE A 40 -10.537 -2.234 6.438 1.00 0.00 N ATOM 585 CA ILE A 40 -11.264 -3.072 5.500 1.00 0.00 C ATOM 586 C ILE A 40 -11.728 -2.221 4.316 1.00 0.00 C ATOM 587 O ILE A 40 -11.872 -1.005 4.440 1.00 0.00 O ATOM 588 CB ILE A 40 -12.401 -3.810 6.210 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.343 -2.826 6.906 1.00 0.00 C ATOM 590 CG2 ILE A 40 -11.853 -4.861 7.177 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.661 -3.503 7.287 1.00 0.00 C ATOM 0 H ILE A 40 -10.855 -2.301 7.405 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.613 -3.849 5.099 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.987 -4.339 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.863 -2.428 7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -13.542 -1.980 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -12.682 -5.371 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.256 -5.587 6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.230 -4.375 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.312 -2.781 7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.150 -3.878 6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.461 -4.333 7.965 1.00 0.00 H new ATOM 954 N ILE A 63 -10.377 -8.828 1.986 1.00 0.00 N ATOM 955 CA ILE A 63 -9.521 -7.809 1.401 1.00 0.00 C ATOM 956 C ILE A 63 -9.562 -6.552 2.273 1.00 0.00 C ATOM 957 O ILE A 63 -10.639 -6.066 2.616 1.00 0.00 O ATOM 958 CB ILE A 63 -9.907 -7.558 -0.058 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.370 -8.668 -0.965 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.449 -6.172 -0.516 1.00 0.00 C ATOM 961 CD1 ILE A 63 -7.956 -8.343 -1.450 1.00 0.00 C ATOM 0 HA ILE A 63 -8.485 -8.148 1.379 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.994 -7.578 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.364 -9.614 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.032 -8.795 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.736 -6.019 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.919 -5.410 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.365 -6.098 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.598 -9.147 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.970 -7.409 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.292 -8.241 -0.592 1.00 0.00 H new ATOM 973 N VAL A 64 -8.377 -6.062 2.605 1.00 0.00 N ATOM 974 CA VAL A 64 -8.264 -4.872 3.430 1.00 0.00 C ATOM 975 C VAL A 64 -7.305 -3.884 2.764 1.00 0.00 C ATOM 976 O VAL A 64 -6.292 -4.285 2.193 1.00 0.00 O ATOM 977 CB VAL A 64 -7.836 -5.256 4.848 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.631 -4.012 5.715 1.00 0.00 C ATOM 979 CG2 VAL A 64 -8.849 -6.208 5.487 1.00 0.00 C ATOM 0 H VAL A 64 -7.486 -6.468 2.317 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.231 -4.377 3.520 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.882 -5.778 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.327 -4.313 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.856 -3.385 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.563 -3.450 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.521 -6.465 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.824 -5.723 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.925 -7.115 4.887 1.00 0.00 H new ATOM 989 N GLU A 65 -7.658 -2.610 2.859 1.00 0.00 N ATOM 990 CA GLU A 65 -6.841 -1.561 2.272 1.00 0.00 C ATOM 991 C GLU A 65 -5.882 -0.988 3.317 1.00 0.00 C ATOM 992 O GLU A 65 -6.304 -0.597 4.404 1.00 0.00 O ATOM 993 CB GLU A 65 -7.714 -0.461 1.666 1.00 0.00 C ATOM 994 CG GLU A 65 -7.977 -0.724 0.182 1.00 0.00 C ATOM 995 CD GLU A 65 -8.917 0.332 -0.404 1.00 0.00 C ATOM 996 OE1 GLU A 65 -9.768 0.825 0.368 1.00 0.00 O ATOM 997 OE2 GLU A 65 -8.763 0.623 -1.609 1.00 0.00 O ATOM 0 H GLU A 65 -8.499 -2.281 3.334 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.250 -1.995 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.661 -0.407 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.224 0.505 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.034 -0.720 -0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.414 -1.715 0.056 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.609 -0.956 2.951 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.587 -0.437 3.844 1.00 0.00 C ATOM 1006 C CYS A 66 -2.815 0.659 3.105 1.00 0.00 C ATOM 1007 O CYS A 66 -2.667 0.604 1.885 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.660 -1.545 4.348 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.612 -3.087 4.607 1.00 0.00 S ATOM 0 H CYS A 66 -4.262 -1.281 2.049 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.057 -0.015 4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.861 -1.718 3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.187 -1.239 5.281 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.906 -3.919 5.314 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.344 1.628 3.875 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.592 2.735 3.310 1.00 0.00 C ATOM 1017 C LEU A 67 -0.095 2.459 3.461 1.00 0.00 C ATOM 1018 O LEU A 67 0.409 2.345 4.577 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.039 4.060 3.931 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.604 5.328 3.193 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -2.014 5.273 1.720 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -2.140 6.580 3.891 1.00 0.00 C ATOM 0 H LEU A 67 -2.469 1.670 4.886 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.794 2.826 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.127 4.058 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.657 4.108 4.951 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.516 5.384 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.693 6.186 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.544 4.413 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.098 5.181 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.816 7.467 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.229 6.546 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.757 6.620 4.911 1.00 0.00 H new ATOM 1034 N ILE A 68 0.574 2.360 2.322 1.00 0.00 N ATOM 1035 CA ILE A 68 2.004 2.099 2.314 1.00 0.00 C ATOM 1036 C ILE A 68 2.687 3.058 1.337 1.00 0.00 C ATOM 1037 O ILE A 68 2.067 3.522 0.381 1.00 0.00 O ATOM 1038 CB ILE A 68 2.277 0.623 2.019 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.256 0.351 0.513 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.301 -0.278 2.778 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.922 0.779 -0.102 1.00 0.00 C ATOM 0 H ILE A 68 0.153 2.456 1.398 1.00 0.00 H new ATOM 0 HA ILE A 68 2.432 2.288 3.299 1.00 0.00 H new ATOM 0 HB ILE A 68 3.279 0.384 2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.072 0.889 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.422 -0.711 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.517 -1.322 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.409 -0.110 3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.280 -0.045 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.933 0.575 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.110 0.221 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.771 1.846 0.063 1.00 0.00 H new ATOM 1053 N GLY A 69 3.955 3.327 1.611 1.00 0.00 N ATOM 1054 CA GLY A 69 4.730 4.222 0.769 1.00 0.00 C ATOM 1055 C GLY A 69 6.072 4.562 1.419 1.00 0.00 C ATOM 1056 O GLY A 69 6.448 3.964 2.426 1.00 0.00 O ATOM 0 H GLY A 69 4.465 2.940 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.900 3.757 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.166 5.138 0.590 1.00 0.00 H new ATOM 1060 N ASP A 70 6.759 5.521 0.816 1.00 0.00 N ATOM 1061 CA ASP A 70 8.052 5.948 1.323 1.00 0.00 C ATOM 1062 C ASP A 70 8.026 7.458 1.568 1.00 0.00 C ATOM 1063 O ASP A 70 7.007 8.109 1.346 1.00 0.00 O ATOM 1064 CB ASP A 70 9.164 5.651 0.316 1.00 0.00 C ATOM 1065 CG ASP A 70 10.494 5.212 0.931 1.00 0.00 C ATOM 1066 OD1 ASP A 70 10.572 4.030 1.332 1.00 0.00 O ATOM 1067 OD2 ASP A 70 11.404 6.067 0.987 1.00 0.00 O ATOM 0 H ASP A 70 6.444 6.015 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 70 8.248 5.404 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.820 4.871 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.336 6.543 -0.286 1.00 0.00 H new ATOM 1072 N GLU A 71 9.160 7.971 2.022 1.00 0.00 N ATOM 1073 CA GLU A 71 9.280 9.393 2.299 1.00 0.00 C ATOM 1074 C GLU A 71 8.718 10.210 1.134 1.00 0.00 C ATOM 1075 O GLU A 71 8.196 11.305 1.335 1.00 0.00 O ATOM 1076 CB GLU A 71 10.734 9.774 2.586 1.00 0.00 C ATOM 1077 CG GLU A 71 11.630 9.462 1.385 1.00 0.00 C ATOM 1078 CD GLU A 71 12.408 10.703 0.944 1.00 0.00 C ATOM 1079 OE1 GLU A 71 12.900 11.415 1.846 1.00 0.00 O ATOM 1080 OE2 GLU A 71 12.493 10.912 -0.286 1.00 0.00 O ATOM 0 H GLU A 71 10.004 7.428 2.205 1.00 0.00 H new ATOM 0 HA GLU A 71 8.696 9.621 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.795 10.836 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.090 9.230 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.327 8.665 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.021 9.097 0.558 1.00 0.00 H new ATOM 1087 N THR A 72 8.844 9.645 -0.058 1.00 0.00 N ATOM 1088 CA THR A 72 8.355 10.308 -1.255 1.00 0.00 C ATOM 1089 C THR A 72 6.836 10.475 -1.189 1.00 0.00 C ATOM 1090 O THR A 72 6.340 11.558 -0.881 1.00 0.00 O ATOM 1091 CB THR A 72 8.826 9.502 -2.467 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.455 8.161 -2.158 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.351 9.450 -2.580 1.00 0.00 C ATOM 0 H THR A 72 9.277 8.736 -0.220 1.00 0.00 H new ATOM 0 HA THR A 72 8.758 11.317 -1.341 1.00 0.00 H new ATOM 0 HB THR A 72 8.410 9.937 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.224 7.569 -2.295 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.631 8.866 -3.457 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.743 10.462 -2.678 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.766 8.985 -1.686 1.00 0.00 H new ATOM 1101 N GLY A 73 6.139 9.387 -1.483 1.00 0.00 N ATOM 1102 CA GLY A 73 4.687 9.400 -1.461 1.00 0.00 C ATOM 1103 C GLY A 73 4.133 8.036 -1.044 1.00 0.00 C ATOM 1104 O GLY A 73 4.889 7.148 -0.653 1.00 0.00 O ATOM 0 H GLY A 73 6.554 8.491 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.337 10.166 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.307 9.665 -2.448 1.00 0.00 H new ATOM 1108 N CYS A 74 2.817 7.913 -1.140 1.00 0.00 N ATOM 1109 CA CYS A 74 2.153 6.673 -0.777 1.00 0.00 C ATOM 1110 C CYS A 74 1.092 6.367 -1.836 1.00 0.00 C ATOM 1111 O CYS A 74 0.784 7.215 -2.673 1.00 0.00 O ATOM 1112 CB CYS A 74 1.552 6.743 0.629 1.00 0.00 C ATOM 1113 SG CYS A 74 0.364 8.131 0.732 1.00 0.00 S ATOM 0 H CYS A 74 2.193 8.652 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 74 2.882 5.863 -0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.050 5.805 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.344 6.876 1.366 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.142 8.181 1.928 1.00 0.00 H new ATOM 1119 N ILE A 75 0.563 5.155 -1.766 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.456 4.727 -2.709 1.00 0.00 C ATOM 1121 C ILE A 75 -1.380 3.714 -2.030 1.00 0.00 C ATOM 1122 O ILE A 75 -1.035 3.153 -0.991 1.00 0.00 O ATOM 1123 CB ILE A 75 0.188 4.207 -3.995 1.00 0.00 C ATOM 1124 CG1 ILE A 75 0.248 2.678 -3.999 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.567 4.835 -4.211 1.00 0.00 C ATOM 1126 CD1 ILE A 75 1.276 2.167 -2.988 1.00 0.00 C ATOM 0 H ILE A 75 0.821 4.455 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.075 5.572 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.438 4.507 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.735 2.271 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.506 2.323 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.003 4.448 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.466 5.918 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.215 4.587 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.299 1.077 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.262 2.556 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.001 2.503 -1.988 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.535 3.509 -2.645 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.511 2.573 -2.113 1.00 0.00 C ATOM 1140 C LEU A 76 -3.243 1.182 -2.690 1.00 0.00 C ATOM 1141 O LEU A 76 -3.603 0.899 -3.832 1.00 0.00 O ATOM 1142 CB LEU A 76 -4.932 3.080 -2.365 1.00 0.00 C ATOM 1143 CG LEU A 76 -5.957 2.773 -1.272 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -5.694 1.404 -0.642 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -5.993 3.888 -0.225 1.00 0.00 C ATOM 0 H LEU A 76 -2.817 3.975 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.413 2.494 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.892 4.160 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.289 2.651 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.944 2.731 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.437 1.211 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.759 0.632 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.698 1.392 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.730 3.645 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.010 3.986 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.265 4.829 -0.704 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.614 0.349 -1.874 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.294 -1.006 -2.289 1.00 0.00 C ATOM 1159 C PHE A 77 -3.194 -2.023 -1.584 1.00 0.00 C ATOM 1160 O PHE A 77 -3.385 -1.951 -0.371 1.00 0.00 O ATOM 1161 CB PHE A 77 -0.840 -1.265 -1.888 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.402 -2.723 -2.044 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -0.767 -3.646 -1.114 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.352 -3.096 -3.113 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.360 -4.999 -1.258 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.759 -4.449 -3.257 1.00 0.00 C ATOM 1167 CZ PHE A 77 0.394 -5.372 -2.327 1.00 0.00 C ATOM 0 H PHE A 77 -2.317 0.586 -0.927 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.445 -1.111 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.189 -0.634 -2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.701 -0.964 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.366 -3.350 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.641 -2.363 -3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.649 -5.732 -0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.358 -4.745 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.703 -6.401 -2.437 1.00 0.00 H new ATOM 1177 N THR A 78 -3.722 -2.946 -2.374 1.00 0.00 N ATOM 1178 CA THR A 78 -4.598 -3.975 -1.840 1.00 0.00 C ATOM 1179 C THR A 78 -3.777 -5.165 -1.339 1.00 0.00 C ATOM 1180 O THR A 78 -2.844 -5.606 -2.008 1.00 0.00 O ATOM 1181 CB THR A 78 -5.607 -4.348 -2.927 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.413 -3.181 -3.067 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.590 -5.427 -2.469 1.00 0.00 C ATOM 0 H THR A 78 -3.560 -3.003 -3.379 1.00 0.00 H new ATOM 0 HA THR A 78 -5.152 -3.613 -0.974 1.00 0.00 H new ATOM 0 HB THR A 78 -5.075 -4.695 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.094 -3.335 -3.755 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.284 -5.654 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.040 -6.329 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.147 -5.068 -1.604 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.155 -5.652 -0.166 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.466 -6.783 0.433 1.00 0.00 C ATOM 1193 C ALA A 79 -4.470 -7.908 0.691 1.00 0.00 C ATOM 1194 O ALA A 79 -5.523 -7.681 1.286 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.757 -6.330 1.710 1.00 0.00 C ATOM 0 H ALA A 79 -4.930 -5.284 0.386 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.704 -7.170 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.240 -7.178 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.034 -5.551 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.491 -5.938 2.414 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.110 -9.097 0.230 1.00 0.00 N ATOM 1202 CA ARG A 80 -4.966 -10.258 0.404 1.00 0.00 C ATOM 1203 C ARG A 80 -4.960 -10.708 1.866 1.00 0.00 C ATOM 1204 O ARG A 80 -4.108 -10.285 2.646 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.507 -11.418 -0.482 1.00 0.00 C ATOM 1206 CG ARG A 80 -5.185 -11.363 -1.853 1.00 0.00 C ATOM 1207 CD ARG A 80 -4.218 -11.787 -2.960 1.00 0.00 C ATOM 1208 NE ARG A 80 -4.607 -13.112 -3.491 1.00 0.00 N ATOM 1209 CZ ARG A 80 -4.211 -14.279 -2.965 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -3.411 -14.291 -1.889 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -4.613 -15.433 -3.513 1.00 0.00 N ATOM 0 H ARG A 80 -3.237 -9.281 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.977 -9.971 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.425 -11.379 -0.606 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.739 -12.366 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.058 -12.016 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.543 -10.352 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.224 -11.049 -3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.201 -11.826 -2.570 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.215 -13.139 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.104 -13.412 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.109 -15.179 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -5.221 -15.424 -4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.311 -16.321 -3.112 1.00 0.00 H new ATOM 1225 N ASN A 81 -5.920 -11.560 2.193 1.00 0.00 N ATOM 1226 CA ASN A 81 -6.036 -12.073 3.548 1.00 0.00 C ATOM 1227 C ASN A 81 -4.659 -12.528 4.036 1.00 0.00 C ATOM 1228 O ASN A 81 -4.412 -12.589 5.239 1.00 0.00 O ATOM 1229 CB ASN A 81 -6.979 -13.276 3.603 1.00 0.00 C ATOM 1230 CG ASN A 81 -7.332 -13.630 5.049 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -8.014 -12.896 5.747 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -6.833 -14.792 5.459 1.00 0.00 N ATOM 0 H ASN A 81 -6.625 -11.908 1.543 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.432 -11.276 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.890 -13.055 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.510 -14.133 3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.013 -15.118 6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.270 -15.358 4.824 1.00 0.00 H new ATOM 1239 N ASP A 82 -3.799 -12.838 3.076 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.454 -13.287 3.393 1.00 0.00 C ATOM 1241 C ASP A 82 -1.536 -12.071 3.534 1.00 0.00 C ATOM 1242 O ASP A 82 -0.971 -11.836 4.601 1.00 0.00 O ATOM 1243 CB ASP A 82 -1.894 -14.176 2.281 1.00 0.00 C ATOM 1244 CG ASP A 82 -2.431 -15.608 2.266 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -3.588 -15.776 1.823 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -1.673 -16.503 2.698 1.00 0.00 O ATOM 0 H ASP A 82 -4.008 -12.787 2.079 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.498 -13.856 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.114 -13.711 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.809 -14.212 2.377 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.415 -11.330 2.442 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.575 -10.145 2.431 1.00 0.00 C ATOM 1253 C GLN A 83 -0.976 -9.200 3.565 1.00 0.00 C ATOM 1254 O GLN A 83 -0.118 -8.592 4.204 1.00 0.00 O ATOM 1255 CB GLN A 83 -0.644 -9.437 1.077 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.121 -10.340 -0.042 1.00 0.00 C ATOM 1257 CD GLN A 83 -0.562 -9.826 -1.414 1.00 0.00 C ATOM 1258 OE1 GLN A 83 -1.189 -10.523 -2.194 1.00 0.00 O ATOM 1259 NE2 GLN A 83 -0.199 -8.571 -1.663 1.00 0.00 N ATOM 0 H GLN A 83 -1.885 -11.528 1.559 1.00 0.00 H new ATOM 0 HA GLN A 83 0.458 -10.454 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.674 -9.149 0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.057 -8.519 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.967 -10.385 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.488 -11.356 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.325 -8.044 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.445 -8.136 -2.552 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.280 -9.105 3.781 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.805 -8.244 4.827 1.00 0.00 C ATOM 1270 C VAL A 84 -1.882 -8.309 6.046 1.00 0.00 C ATOM 1271 O VAL A 84 -1.587 -7.285 6.661 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.249 -8.633 5.149 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.296 -9.847 6.079 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -5.013 -7.452 5.750 1.00 0.00 C ATOM 0 H VAL A 84 -2.989 -9.610 3.249 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.829 -7.207 4.492 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.738 -8.908 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.334 -10.102 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.806 -10.693 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.782 -9.612 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.037 -7.755 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.524 -7.132 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.024 -6.626 5.039 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.452 -9.522 6.358 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.568 -9.734 7.493 1.00 0.00 C ATOM 1286 C ASP A 85 0.713 -8.921 7.295 1.00 0.00 C ATOM 1287 O ASP A 85 1.073 -8.108 8.144 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.178 -11.208 7.619 1.00 0.00 C ATOM 1289 CG ASP A 85 -1.329 -12.153 7.971 1.00 0.00 C ATOM 1290 OD1 ASP A 85 -2.462 -11.855 7.536 1.00 0.00 O ATOM 1291 OD2 ASP A 85 -1.049 -13.153 8.667 1.00 0.00 O ATOM 0 H ASP A 85 -1.699 -10.369 5.845 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.095 -9.422 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.264 -11.533 6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.594 -11.300 8.383 1.00 0.00 H new ATOM 1296 N LEU A 86 1.365 -9.170 6.169 1.00 0.00 N ATOM 1297 CA LEU A 86 2.598 -8.472 5.849 1.00 0.00 C ATOM 1298 C LEU A 86 2.305 -6.979 5.680 1.00 0.00 C ATOM 1299 O LEU A 86 3.186 -6.144 5.880 1.00 0.00 O ATOM 1300 CB LEU A 86 3.274 -9.107 4.632 1.00 0.00 C ATOM 1301 CG LEU A 86 4.051 -10.399 4.894 1.00 0.00 C ATOM 1302 CD1 LEU A 86 4.133 -11.255 3.629 1.00 0.00 C ATOM 1303 CD2 LEU A 86 5.434 -10.098 5.474 1.00 0.00 C ATOM 0 H LEU A 86 1.063 -9.845 5.467 1.00 0.00 H new ATOM 0 HA LEU A 86 3.312 -8.567 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.510 -9.312 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.958 -8.377 4.199 1.00 0.00 H new ATOM 0 HG LEU A 86 3.509 -10.979 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.690 -12.167 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.127 -11.513 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.640 -10.695 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.966 -11.033 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.999 -9.487 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.324 -9.559 6.415 1.00 0.00 H new ATOM 1315 N MET A 87 1.065 -6.690 5.314 1.00 0.00 N ATOM 1316 CA MET A 87 0.645 -5.313 5.117 1.00 0.00 C ATOM 1317 C MET A 87 -0.067 -4.774 6.358 1.00 0.00 C ATOM 1318 O MET A 87 -1.102 -4.118 6.249 1.00 0.00 O ATOM 1319 CB MET A 87 -0.296 -5.234 3.913 1.00 0.00 C ATOM 1320 CG MET A 87 0.355 -5.838 2.667 1.00 0.00 C ATOM 1321 SD MET A 87 1.780 -4.872 2.195 1.00 0.00 S ATOM 1322 CE MET A 87 1.087 -3.229 2.292 1.00 0.00 C ATOM 0 H MET A 87 0.338 -7.386 5.149 1.00 0.00 H new ATOM 0 HA MET A 87 1.531 -4.704 4.937 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.223 -5.763 4.136 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.561 -4.194 3.721 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.653 -6.868 2.865 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.364 -5.866 1.848 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.687 -2.545 1.692 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.065 -3.242 1.914 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.086 -2.895 3.330 1.00 0.00 H new ATOM 1332 N LYS A 88 0.515 -5.070 7.511 1.00 0.00 N ATOM 1333 CA LYS A 88 -0.050 -4.622 8.772 1.00 0.00 C ATOM 1334 C LYS A 88 0.288 -3.145 8.983 1.00 0.00 C ATOM 1335 O LYS A 88 1.287 -2.653 8.461 1.00 0.00 O ATOM 1336 CB LYS A 88 0.409 -5.528 9.917 1.00 0.00 C ATOM 1337 CG LYS A 88 1.355 -4.782 10.860 1.00 0.00 C ATOM 1338 CD LYS A 88 0.672 -4.479 12.195 1.00 0.00 C ATOM 1339 CE LYS A 88 1.675 -4.532 13.349 1.00 0.00 C ATOM 1340 NZ LYS A 88 2.056 -3.165 13.768 1.00 0.00 N ATOM 0 H LYS A 88 1.373 -5.615 7.598 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.137 -4.700 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.458 -5.885 10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.911 -6.406 9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.249 -5.381 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.680 -3.852 10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.210 -3.493 12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.127 -5.199 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.240 -5.069 14.192 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.563 -5.085 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.085 -3.120 13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.780 -2.486 13.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.571 -2.926 14.656 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.586 -2.462 9.769 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.390 -1.051 10.055 1.00 0.00 C ATOM 1356 C PRO A 89 0.735 -0.849 11.072 1.00 0.00 C ATOM 1357 O PRO A 89 0.709 -1.429 12.156 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.738 -0.560 10.557 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.507 -1.804 10.972 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.780 -3.012 10.404 1.00 0.00 C ATOM 0 HA PRO A 89 -0.075 -0.484 9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.616 0.123 11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.270 -0.014 9.778 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.568 -1.871 12.058 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.530 -1.763 10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.520 -3.722 11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.401 -3.546 9.684 1.00 0.00 H new ATOM 1368 N GLY A 90 1.698 -0.025 10.686 1.00 0.00 N ATOM 1369 CA GLY A 90 2.831 0.261 11.550 1.00 0.00 C ATOM 1370 C GLY A 90 3.956 -0.753 11.332 1.00 0.00 C ATOM 1371 O GLY A 90 4.732 -1.029 12.245 1.00 0.00 O ATOM 0 H GLY A 90 1.717 0.454 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.200 1.267 11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.513 0.238 12.592 1.00 0.00 H new ATOM 1375 N ALA A 91 4.007 -1.280 10.118 1.00 0.00 N ATOM 1376 CA ALA A 91 5.024 -2.257 9.769 1.00 0.00 C ATOM 1377 C ALA A 91 5.648 -1.880 8.423 1.00 0.00 C ATOM 1378 O ALA A 91 5.066 -1.112 7.659 1.00 0.00 O ATOM 1379 CB ALA A 91 4.404 -3.656 9.752 1.00 0.00 C ATOM 0 H ALA A 91 3.361 -1.049 9.364 1.00 0.00 H new ATOM 0 HA ALA A 91 5.821 -2.262 10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.167 -4.389 9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.002 -3.888 10.738 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.601 -3.689 9.016 1.00 0.00 H new ATOM 1385 N THR A 92 6.824 -2.438 8.175 1.00 0.00 N ATOM 1386 CA THR A 92 7.532 -2.170 6.935 1.00 0.00 C ATOM 1387 C THR A 92 7.667 -3.451 6.110 1.00 0.00 C ATOM 1388 O THR A 92 7.956 -4.516 6.653 1.00 0.00 O ATOM 1389 CB THR A 92 8.877 -1.530 7.288 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.524 -0.376 8.046 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.596 -0.965 6.061 1.00 0.00 C ATOM 0 H THR A 92 7.304 -3.074 8.812 1.00 0.00 H new ATOM 0 HA THR A 92 6.978 -1.473 6.306 1.00 0.00 H new ATOM 0 HB THR A 92 9.514 -2.269 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.475 -0.611 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.544 -0.523 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.783 -1.767 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.974 -0.202 5.594 1.00 0.00 H new ATOM 1399 N VAL A 93 7.450 -3.305 4.811 1.00 0.00 N ATOM 1400 CA VAL A 93 7.544 -4.438 3.905 1.00 0.00 C ATOM 1401 C VAL A 93 7.907 -3.937 2.506 1.00 0.00 C ATOM 1402 O VAL A 93 7.665 -2.777 2.175 1.00 0.00 O ATOM 1403 CB VAL A 93 6.241 -5.239 3.934 1.00 0.00 C ATOM 1404 CG1 VAL A 93 6.020 -5.877 5.307 1.00 0.00 C ATOM 1405 CG2 VAL A 93 5.050 -4.365 3.536 1.00 0.00 C ATOM 0 H VAL A 93 7.210 -2.420 4.364 1.00 0.00 H new ATOM 0 HA VAL A 93 8.335 -5.117 4.222 1.00 0.00 H new ATOM 0 HB VAL A 93 6.325 -6.042 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.087 -6.440 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.848 -6.549 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.967 -5.097 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.137 -4.959 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.962 -3.531 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.201 -3.981 2.527 1.00 0.00 H new ATOM 1415 N ILE A 94 8.483 -4.837 1.721 1.00 0.00 N ATOM 1416 CA ILE A 94 8.882 -4.501 0.365 1.00 0.00 C ATOM 1417 C ILE A 94 7.912 -5.152 -0.623 1.00 0.00 C ATOM 1418 O ILE A 94 7.259 -6.141 -0.297 1.00 0.00 O ATOM 1419 CB ILE A 94 10.346 -4.878 0.129 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.283 -3.778 0.632 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.595 -5.214 -1.343 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.723 -4.288 0.732 1.00 0.00 C ATOM 0 H ILE A 94 8.683 -5.798 1.999 1.00 0.00 H new ATOM 0 HA ILE A 94 8.825 -3.424 0.206 1.00 0.00 H new ATOM 0 HB ILE A 94 10.565 -5.776 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.242 -2.923 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.948 -3.429 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.643 -5.478 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.966 -6.055 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.353 -4.348 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.369 -3.487 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.764 -5.127 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.063 -4.614 -0.251 1.00 0.00 H new ATOM 1434 N LEU A 95 7.849 -4.569 -1.812 1.00 0.00 N ATOM 1435 CA LEU A 95 6.970 -5.080 -2.850 1.00 0.00 C ATOM 1436 C LEU A 95 7.810 -5.531 -4.047 1.00 0.00 C ATOM 1437 O LEU A 95 8.447 -4.711 -4.707 1.00 0.00 O ATOM 1438 CB LEU A 95 5.901 -4.044 -3.204 1.00 0.00 C ATOM 1439 CG LEU A 95 4.491 -4.331 -2.684 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.525 -4.759 -1.215 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.568 -3.132 -2.911 1.00 0.00 C ATOM 0 H LEU A 95 8.392 -3.748 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 95 6.427 -5.955 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.219 -3.076 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.855 -3.954 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 95 4.080 -5.165 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.510 -4.957 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.126 -5.663 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.964 -3.962 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.572 -3.363 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.964 -2.263 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.509 -2.915 -3.978 1.00 0.00 H new ATOM 1453 N ARG A 96 7.784 -6.833 -4.290 1.00 0.00 N ATOM 1454 CA ARG A 96 8.535 -7.403 -5.396 1.00 0.00 C ATOM 1455 C ARG A 96 7.589 -7.798 -6.532 1.00 0.00 C ATOM 1456 O ARG A 96 6.580 -8.463 -6.302 1.00 0.00 O ATOM 1457 CB ARG A 96 9.325 -8.634 -4.948 1.00 0.00 C ATOM 1458 CG ARG A 96 10.228 -8.303 -3.758 1.00 0.00 C ATOM 1459 CD ARG A 96 11.615 -7.861 -4.228 1.00 0.00 C ATOM 1460 NE ARG A 96 12.611 -8.913 -3.925 1.00 0.00 N ATOM 1461 CZ ARG A 96 13.937 -8.729 -3.979 1.00 0.00 C ATOM 1462 NH1 ARG A 96 14.435 -7.534 -4.324 1.00 0.00 N ATOM 1463 NH2 ARG A 96 14.766 -9.741 -3.688 1.00 0.00 N ATOM 0 H ARG A 96 7.255 -7.510 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 96 9.234 -6.645 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.636 -9.433 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.930 -9.004 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.773 -7.512 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.320 -9.177 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.599 -7.662 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.896 -6.930 -3.735 1.00 0.00 H new ATOM 0 HE ARG A 96 12.267 -9.835 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.805 -6.763 -4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.445 -7.395 -4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.387 -10.651 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.776 -9.601 -3.729 1.00 0.00 H new ATOM 1477 N ASN A 97 7.949 -7.371 -7.734 1.00 0.00 N ATOM 1478 CA ASN A 97 7.145 -7.672 -8.906 1.00 0.00 C ATOM 1479 C ASN A 97 5.794 -6.963 -8.788 1.00 0.00 C ATOM 1480 O ASN A 97 4.778 -7.475 -9.255 1.00 0.00 O ATOM 1481 CB ASN A 97 6.882 -9.175 -9.023 1.00 0.00 C ATOM 1482 CG ASN A 97 7.033 -9.647 -10.470 1.00 0.00 C ATOM 1483 OD1 ASN A 97 7.658 -9.005 -11.298 1.00 0.00 O ATOM 1484 ND2 ASN A 97 6.426 -10.802 -10.728 1.00 0.00 N ATOM 0 H ASN A 97 8.786 -6.819 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 97 7.691 -7.332 -9.786 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.577 -9.720 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.877 -9.401 -8.666 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.467 -11.202 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.919 -11.288 -9.988 1.00 0.00 H new ATOM 1491 N SER A 98 5.827 -5.796 -8.162 1.00 0.00 N ATOM 1492 CA SER A 98 4.618 -5.012 -7.977 1.00 0.00 C ATOM 1493 C SER A 98 4.295 -4.238 -9.257 1.00 0.00 C ATOM 1494 O SER A 98 5.162 -3.572 -9.819 1.00 0.00 O ATOM 1495 CB SER A 98 4.761 -4.049 -6.797 1.00 0.00 C ATOM 1496 OG SER A 98 5.979 -3.312 -6.854 1.00 0.00 O ATOM 0 H SER A 98 6.672 -5.374 -7.776 1.00 0.00 H new ATOM 0 HA SER A 98 3.798 -5.695 -7.756 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.919 -3.357 -6.790 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.720 -4.611 -5.864 1.00 0.00 H new ATOM 0 HG SER A 98 6.032 -2.708 -6.084 1.00 0.00 H new ATOM 1502 N ARG A 99 3.045 -4.353 -9.681 1.00 0.00 N ATOM 1503 CA ARG A 99 2.597 -3.673 -10.884 1.00 0.00 C ATOM 1504 C ARG A 99 1.705 -2.483 -10.521 1.00 0.00 C ATOM 1505 O ARG A 99 1.237 -2.377 -9.388 1.00 0.00 O ATOM 1506 CB ARG A 99 1.820 -4.623 -11.797 1.00 0.00 C ATOM 1507 CG ARG A 99 0.741 -5.375 -11.015 1.00 0.00 C ATOM 1508 CD ARG A 99 -0.248 -6.057 -11.963 1.00 0.00 C ATOM 1509 NE ARG A 99 -1.299 -6.751 -11.185 1.00 0.00 N ATOM 1510 CZ ARG A 99 -2.294 -7.461 -11.733 1.00 0.00 C ATOM 1511 NH1 ARG A 99 -2.380 -7.576 -13.065 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -3.202 -8.057 -10.949 1.00 0.00 N ATOM 0 H ARG A 99 2.328 -4.907 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 99 3.482 -3.320 -11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.360 -4.058 -12.608 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.506 -5.336 -12.254 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.207 -6.121 -10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.208 -4.681 -10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.701 -5.317 -12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.277 -6.771 -12.598 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.263 -6.684 -10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.688 -7.123 -13.662 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.138 -8.117 -13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.136 -7.970 -9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.960 -8.598 -11.366 1.00 0.00 H new ATOM 1526 N ILE A 100 1.497 -1.619 -11.503 1.00 0.00 N ATOM 1527 CA ILE A 100 0.671 -0.441 -11.301 1.00 0.00 C ATOM 1528 C ILE A 100 -0.549 -0.515 -12.222 1.00 0.00 C ATOM 1529 O ILE A 100 -0.406 -0.582 -13.442 1.00 0.00 O ATOM 1530 CB ILE A 100 1.499 0.832 -11.479 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.621 0.907 -10.440 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.608 2.075 -11.449 1.00 0.00 C ATOM 1533 CD1 ILE A 100 2.058 1.182 -9.044 1.00 0.00 C ATOM 0 H ILE A 100 1.886 -1.711 -12.441 1.00 0.00 H new ATOM 0 HA ILE A 100 0.297 -0.409 -10.278 1.00 0.00 H new ATOM 0 HB ILE A 100 1.971 0.797 -12.461 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.178 -0.030 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.323 1.694 -10.714 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.222 2.966 -11.578 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.123 2.018 -12.256 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.089 2.127 -10.492 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.876 1.230 -8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.522 2.131 -9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.375 0.381 -8.763 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.720 -0.500 -11.603 1.00 0.00 N ATOM 1546 CA ASP A 101 -2.963 -0.565 -12.352 1.00 0.00 C ATOM 1547 C ASP A 101 -3.491 0.853 -12.580 1.00 0.00 C ATOM 1548 O ASP A 101 -3.664 1.614 -11.629 1.00 0.00 O ATOM 1549 CB ASP A 101 -4.029 -1.349 -11.584 1.00 0.00 C ATOM 1550 CG ASP A 101 -3.521 -2.602 -10.869 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -2.595 -3.234 -11.422 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -4.069 -2.900 -9.786 1.00 0.00 O ATOM 0 H ASP A 101 -1.834 -0.444 -10.591 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.760 -1.065 -13.299 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.484 -0.688 -10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.816 -1.640 -12.280 1.00 0.00 H new ATOM 1557 N MET A 102 -3.732 1.164 -13.845 1.00 0.00 N ATOM 1558 CA MET A 102 -4.237 2.477 -14.209 1.00 0.00 C ATOM 1559 C MET A 102 -5.702 2.635 -13.799 1.00 0.00 C ATOM 1560 O MET A 102 -6.597 2.128 -14.473 1.00 0.00 O ATOM 1561 CB MET A 102 -4.105 2.674 -15.720 1.00 0.00 C ATOM 1562 CG MET A 102 -3.610 4.084 -16.049 1.00 0.00 C ATOM 1563 SD MET A 102 -4.693 5.298 -15.316 1.00 0.00 S ATOM 1564 CE MET A 102 -3.519 6.195 -14.314 1.00 0.00 C ATOM 0 H MET A 102 -3.587 0.530 -14.631 1.00 0.00 H new ATOM 0 HA MET A 102 -3.650 3.230 -13.683 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.412 1.938 -16.127 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.069 2.503 -16.198 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.595 4.218 -15.676 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.573 4.223 -17.130 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.052 6.877 -13.651 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.936 5.492 -13.719 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.851 6.765 -14.959 1.00 0.00 H new ATOM 1574 N PHE A 103 -5.902 3.339 -12.694 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.244 3.570 -12.186 1.00 0.00 C ATOM 1576 C PHE A 103 -7.848 4.840 -12.789 1.00 0.00 C ATOM 1577 O PHE A 103 -7.122 5.711 -13.266 1.00 0.00 O ATOM 1578 CB PHE A 103 -7.124 3.745 -10.671 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.301 3.165 -9.883 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -8.280 1.864 -9.489 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -9.367 3.951 -9.576 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -9.371 1.325 -8.758 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -10.459 3.413 -8.845 1.00 0.00 C ATOM 1584 CZ PHE A 103 -10.438 2.111 -8.451 1.00 0.00 C ATOM 0 H PHE A 103 -5.157 3.757 -12.136 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.891 2.733 -12.449 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.204 3.269 -10.332 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.036 4.807 -10.444 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.433 1.240 -9.732 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -9.383 4.985 -9.888 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.354 0.291 -8.446 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.306 4.037 -8.602 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.268 1.702 -7.895 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.170 4.906 -12.747 1.00 0.00 N ATOM 1595 CA LYS A 104 -9.880 6.055 -13.283 1.00 0.00 C ATOM 1596 C LYS A 104 -9.148 7.335 -12.878 1.00 0.00 C ATOM 1597 O LYS A 104 -9.328 7.833 -11.767 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.349 6.024 -12.856 1.00 0.00 C ATOM 1599 CG LYS A 104 -11.476 5.843 -11.342 1.00 0.00 C ATOM 1600 CD LYS A 104 -12.744 6.517 -10.813 1.00 0.00 C ATOM 1601 CE LYS A 104 -13.453 5.626 -9.792 1.00 0.00 C ATOM 1602 NZ LYS A 104 -14.917 5.655 -10.006 1.00 0.00 N ATOM 0 H LYS A 104 -9.769 4.182 -12.350 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.889 6.024 -14.373 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.839 6.950 -13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.863 5.210 -13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.497 4.780 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.602 6.266 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.488 7.471 -10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.418 6.734 -11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.087 4.603 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.220 5.964 -8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.383 5.045 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.264 6.630 -9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -15.135 5.311 -10.963 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.336 7.832 -13.800 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.576 9.046 -13.552 1.00 0.00 C ATOM 1618 C GLY A 105 -6.700 8.899 -12.306 1.00 0.00 C ATOM 1619 O GLY A 105 -6.461 9.873 -11.593 1.00 0.00 O ATOM 0 H GLY A 105 -8.188 7.416 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.951 9.271 -14.416 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.258 9.887 -13.424 1.00 0.00 H new ATOM 1623 N THR A 106 -6.246 7.675 -12.082 1.00 0.00 N ATOM 1624 CA THR A 106 -5.403 7.389 -10.934 1.00 0.00 C ATOM 1625 C THR A 106 -4.683 6.051 -11.121 1.00 0.00 C ATOM 1626 O THR A 106 -4.773 5.438 -12.183 1.00 0.00 O ATOM 1627 CB THR A 106 -6.277 7.437 -9.680 1.00 0.00 C ATOM 1628 OG1 THR A 106 -7.538 6.937 -10.116 1.00 0.00 O ATOM 1629 CG2 THR A 106 -6.579 8.869 -9.232 1.00 0.00 C ATOM 0 H THR A 106 -6.446 6.870 -12.676 1.00 0.00 H new ATOM 0 HA THR A 106 -4.616 8.135 -10.827 1.00 0.00 H new ATOM 0 HB THR A 106 -5.781 6.900 -8.871 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.089 7.679 -10.442 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.202 8.847 -8.338 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.645 9.385 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.105 9.396 -10.028 1.00 0.00 H new ATOM 1637 N MET A 107 -3.986 5.639 -10.073 1.00 0.00 N ATOM 1638 CA MET A 107 -3.251 4.386 -10.109 1.00 0.00 C ATOM 1639 C MET A 107 -3.092 3.804 -8.703 1.00 0.00 C ATOM 1640 O MET A 107 -3.278 4.507 -7.711 1.00 0.00 O ATOM 1641 CB MET A 107 -1.870 4.620 -10.724 1.00 0.00 C ATOM 1642 CG MET A 107 -1.150 5.777 -10.029 1.00 0.00 C ATOM 1643 SD MET A 107 0.617 5.537 -10.119 1.00 0.00 S ATOM 1644 CE MET A 107 1.030 5.626 -8.384 1.00 0.00 C ATOM 0 H MET A 107 -3.914 6.150 -9.193 1.00 0.00 H new ATOM 0 HA MET A 107 -3.812 3.675 -10.716 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.272 3.712 -10.641 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.973 4.837 -11.787 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.422 6.721 -10.501 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.465 5.839 -8.987 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.887 6.285 -8.247 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.179 6.018 -7.827 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.276 4.630 -8.017 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.749 2.524 -8.662 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.563 1.840 -7.394 1.00 0.00 C ATOM 1656 C ARG A 108 -1.469 0.777 -7.521 1.00 0.00 C ATOM 1657 O ARG A 108 -1.188 0.298 -8.619 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.860 1.174 -6.931 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.683 0.687 -8.126 1.00 0.00 C ATOM 1660 CD ARG A 108 -5.754 -0.312 -7.683 1.00 0.00 C ATOM 1661 NE ARG A 108 -5.141 -1.636 -7.440 1.00 0.00 N ATOM 1662 CZ ARG A 108 -5.838 -2.750 -7.176 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -7.176 -2.706 -7.120 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -5.197 -3.908 -6.968 1.00 0.00 N ATOM 0 H ARG A 108 -2.595 1.944 -9.487 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.268 2.585 -6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.628 0.333 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.447 1.881 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.155 1.537 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.025 0.220 -8.859 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.242 0.044 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.525 -0.394 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.124 -1.706 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.664 -1.825 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.706 -3.554 -6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.178 -3.942 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.728 -4.756 -6.767 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.883 0.438 -6.382 1.00 0.00 N ATOM 1679 CA LEU A 109 0.173 -0.559 -6.352 1.00 0.00 C ATOM 1680 C LEU A 109 -0.421 -1.913 -5.959 1.00 0.00 C ATOM 1681 O LEU A 109 -1.212 -2.000 -5.022 1.00 0.00 O ATOM 1682 CB LEU A 109 1.316 -0.102 -5.443 1.00 0.00 C ATOM 1683 CG LEU A 109 2.555 -1.000 -5.420 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.295 -0.947 -6.758 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.468 -0.644 -4.245 1.00 0.00 C ATOM 0 H LEU A 109 -1.120 0.836 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 109 0.612 -0.678 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.622 0.898 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.933 -0.018 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 109 2.229 -2.030 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.171 -1.594 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.632 -1.286 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.609 0.077 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.341 -1.297 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.790 0.393 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.924 -0.775 -3.309 1.00 0.00 H new ATOM 1697 N GLY A 110 -0.017 -2.937 -6.697 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.499 -4.283 -6.438 1.00 0.00 C ATOM 1699 C GLY A 110 0.560 -5.325 -6.802 1.00 0.00 C ATOM 1700 O GLY A 110 1.526 -5.016 -7.498 1.00 0.00 O ATOM 0 H GLY A 110 0.639 -2.861 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.764 -4.382 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.406 -4.465 -7.014 1.00 0.00 H new ATOM 1704 N VAL A 111 0.343 -6.538 -6.315 1.00 0.00 N ATOM 1705 CA VAL A 111 1.267 -7.627 -6.580 1.00 0.00 C ATOM 1706 C VAL A 111 0.508 -8.788 -7.227 1.00 0.00 C ATOM 1707 O VAL A 111 -0.545 -9.194 -6.740 1.00 0.00 O ATOM 1708 CB VAL A 111 1.987 -8.029 -5.291 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.371 -9.510 -5.316 1.00 0.00 C ATOM 1710 CG2 VAL A 111 3.214 -7.148 -5.051 1.00 0.00 C ATOM 0 H VAL A 111 -0.460 -6.790 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 111 2.038 -7.310 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 111 1.298 -7.876 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.881 -9.769 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.472 -10.117 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.034 -9.700 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.707 -7.455 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.907 -7.254 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.903 -6.107 -4.967 1.00 0.00 H new ATOM 1720 N ASP A 112 1.074 -9.288 -8.316 1.00 0.00 N ATOM 1721 CA ASP A 112 0.464 -10.394 -9.035 1.00 0.00 C ATOM 1722 C ASP A 112 0.861 -11.712 -8.368 1.00 0.00 C ATOM 1723 O ASP A 112 1.645 -11.720 -7.420 1.00 0.00 O ATOM 1724 CB ASP A 112 0.942 -10.437 -10.488 1.00 0.00 C ATOM 1725 CG ASP A 112 -0.105 -10.030 -11.526 1.00 0.00 C ATOM 1726 OD1 ASP A 112 -1.302 -10.253 -11.243 1.00 0.00 O ATOM 1727 OD2 ASP A 112 0.315 -9.504 -12.580 1.00 0.00 O ATOM 0 H ASP A 112 1.948 -8.948 -8.718 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.617 -10.254 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.806 -9.781 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.281 -11.448 -10.713 1.00 0.00 H new ATOM 1732 N LYS A 113 0.301 -12.794 -8.889 1.00 0.00 N ATOM 1733 CA LYS A 113 0.587 -14.115 -8.355 1.00 0.00 C ATOM 1734 C LYS A 113 2.088 -14.391 -8.465 1.00 0.00 C ATOM 1735 O LYS A 113 2.689 -14.949 -7.549 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.284 -15.169 -9.039 1.00 0.00 C ATOM 1737 CG LYS A 113 0.190 -15.428 -10.471 1.00 0.00 C ATOM 1738 CD LYS A 113 -0.695 -16.466 -11.163 1.00 0.00 C ATOM 1739 CE LYS A 113 -1.505 -15.828 -12.294 1.00 0.00 C ATOM 1740 NZ LYS A 113 -2.517 -14.897 -11.746 1.00 0.00 N ATOM 0 H LYS A 113 -0.349 -12.783 -9.675 1.00 0.00 H new ATOM 0 HA LYS A 113 0.331 -14.162 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.253 -16.097 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.322 -14.836 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.174 -14.497 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.223 -15.776 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.076 -17.269 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.371 -16.916 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.838 -15.293 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.996 -16.605 -12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.058 -14.473 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.164 -15.417 -11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.042 -14.146 -11.206 1.00 0.00 H new ATOM 1754 N TRP A 114 2.650 -13.988 -9.595 1.00 0.00 N ATOM 1755 CA TRP A 114 4.069 -14.185 -9.838 1.00 0.00 C ATOM 1756 C TRP A 114 4.843 -13.280 -8.877 1.00 0.00 C ATOM 1757 O TRP A 114 6.042 -13.465 -8.674 1.00 0.00 O ATOM 1758 CB TRP A 114 4.415 -13.932 -11.306 1.00 0.00 C ATOM 1759 CG TRP A 114 3.259 -14.199 -12.273 1.00 0.00 C ATOM 1760 CD1 TRP A 114 2.308 -13.346 -12.677 1.00 0.00 C ATOM 1761 CD2 TRP A 114 2.969 -15.443 -12.944 1.00 0.00 C ATOM 1762 NE1 TRP A 114 1.430 -13.947 -13.556 1.00 0.00 N ATOM 1763 CE2 TRP A 114 1.845 -15.263 -13.724 1.00 0.00 C ATOM 1764 CE3 TRP A 114 3.635 -16.680 -12.894 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 1.288 -16.277 -14.512 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 3.066 -17.684 -13.687 1.00 0.00 C ATOM 1767 CH2 TRP A 114 1.935 -17.518 -14.478 1.00 0.00 C ATOM 0 H TRP A 114 2.148 -13.526 -10.353 1.00 0.00 H new ATOM 0 HA TRP A 114 4.353 -15.220 -9.647 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.738 -12.897 -11.419 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.260 -14.562 -11.583 1.00 0.00 H new ATOM 0 HD1 TRP A 114 2.237 -12.317 -12.355 1.00 0.00 H new ATOM 0 HE1 TRP A 114 0.625 -13.506 -14.001 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.516 -16.843 -12.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 0.407 -16.111 -15.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 3.539 -18.655 -13.684 1.00 0.00 H new ATOM 0 HH2 TRP A 114 1.557 -18.343 -15.064 1.00 0.00 H new ATOM 1778 N GLY A 115 4.125 -12.321 -8.311 1.00 0.00 N ATOM 1779 CA GLY A 115 4.730 -11.387 -7.376 1.00 0.00 C ATOM 1780 C GLY A 115 4.379 -11.751 -5.932 1.00 0.00 C ATOM 1781 O GLY A 115 3.280 -12.233 -5.659 1.00 0.00 O ATOM 0 H GLY A 115 3.131 -12.170 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.813 -11.390 -7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.387 -10.376 -7.593 1.00 0.00 H new ATOM 1785 N ARG A 116 5.333 -11.508 -5.045 1.00 0.00 N ATOM 1786 CA ARG A 116 5.138 -11.804 -3.636 1.00 0.00 C ATOM 1787 C ARG A 116 5.800 -10.729 -2.771 1.00 0.00 C ATOM 1788 O ARG A 116 6.694 -10.022 -3.231 1.00 0.00 O ATOM 1789 CB ARG A 116 5.723 -13.171 -3.275 1.00 0.00 C ATOM 1790 CG ARG A 116 7.196 -13.262 -3.682 1.00 0.00 C ATOM 1791 CD ARG A 116 7.932 -14.309 -2.845 1.00 0.00 C ATOM 1792 NE ARG A 116 9.258 -14.591 -3.439 1.00 0.00 N ATOM 1793 CZ ARG A 116 10.315 -13.773 -3.341 1.00 0.00 C ATOM 1794 NH1 ARG A 116 10.207 -12.617 -2.672 1.00 0.00 N ATOM 1795 NH2 ARG A 116 11.479 -14.111 -3.912 1.00 0.00 N ATOM 0 H ARG A 116 6.243 -11.109 -5.275 1.00 0.00 H new ATOM 0 HA ARG A 116 4.065 -11.818 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.627 -13.340 -2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.155 -13.957 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.270 -13.519 -4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.673 -12.290 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 116 8.051 -13.951 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.344 -15.226 -2.795 1.00 0.00 H new ATOM 0 HE ARG A 116 9.375 -15.463 -3.955 1.00 0.00 H new ATOM 0 HH11 ARG A 116 9.321 -12.360 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 116 11.011 -11.994 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.561 -14.991 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.283 -13.488 -3.837 1.00 0.00 H new ATOM 1809 N ILE A 117 5.333 -10.641 -1.534 1.00 0.00 N ATOM 1810 CA ILE A 117 5.868 -9.664 -0.601 1.00 0.00 C ATOM 1811 C ILE A 117 7.219 -10.155 -0.074 1.00 0.00 C ATOM 1812 O ILE A 117 7.493 -11.354 -0.083 1.00 0.00 O ATOM 1813 CB ILE A 117 4.851 -9.363 0.501 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.561 -8.787 -0.086 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.454 -8.448 1.569 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.683 -8.180 1.010 1.00 0.00 C ATOM 0 H ILE A 117 4.591 -11.230 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 117 6.048 -8.714 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 117 4.591 -10.301 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.803 -8.025 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.011 -9.572 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.710 -8.250 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.321 -8.934 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.761 -7.508 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.773 -7.778 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.423 -8.950 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.227 -7.379 1.510 1.00 0.00 H new ATOM 1828 N GLU A 118 8.025 -9.203 0.371 1.00 0.00 N ATOM 1829 CA GLU A 118 9.340 -9.523 0.900 1.00 0.00 C ATOM 1830 C GLU A 118 9.307 -9.539 2.430 1.00 0.00 C ATOM 1831 O GLU A 118 9.641 -10.547 3.051 1.00 0.00 O ATOM 1832 CB GLU A 118 10.393 -8.540 0.385 1.00 0.00 C ATOM 1833 CG GLU A 118 11.610 -8.504 1.312 1.00 0.00 C ATOM 1834 CD GLU A 118 12.910 -8.435 0.508 1.00 0.00 C ATOM 1835 OE1 GLU A 118 13.031 -9.236 -0.445 1.00 0.00 O ATOM 1836 OE2 GLU A 118 13.752 -7.583 0.863 1.00 0.00 O ATOM 0 H GLU A 118 7.793 -8.210 0.376 1.00 0.00 H new ATOM 0 HA GLU A 118 9.618 -10.518 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.705 -8.828 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.959 -7.543 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.542 -7.641 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.616 -9.392 1.945 1.00 0.00 H new ATOM 1843 N ALA A 119 8.901 -8.410 2.993 1.00 0.00 N ATOM 1844 CA ALA A 119 8.820 -8.282 4.438 1.00 0.00 C ATOM 1845 C ALA A 119 10.198 -7.912 4.991 1.00 0.00 C ATOM 1846 O ALA A 119 10.732 -8.609 5.852 1.00 0.00 O ATOM 1847 CB ALA A 119 8.281 -9.582 5.037 1.00 0.00 C ATOM 0 H ALA A 119 8.625 -7.576 2.475 1.00 0.00 H new ATOM 0 HA ALA A 119 8.129 -7.485 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.220 -9.485 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.288 -9.784 4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.950 -10.404 4.783 1.00 0.00 H new ATOM 1853 N THR A 120 10.734 -6.817 4.473 1.00 0.00 N ATOM 1854 CA THR A 120 12.039 -6.346 4.904 1.00 0.00 C ATOM 1855 C THR A 120 12.171 -6.458 6.424 1.00 0.00 C ATOM 1856 O THR A 120 13.054 -7.154 6.924 1.00 0.00 O ATOM 1857 CB THR A 120 12.224 -4.920 4.381 1.00 0.00 C ATOM 1858 OG1 THR A 120 13.206 -4.358 5.247 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.987 -4.050 4.605 1.00 0.00 C ATOM 0 H THR A 120 10.288 -6.242 3.758 1.00 0.00 H new ATOM 0 HA THR A 120 12.838 -6.964 4.494 1.00 0.00 H new ATOM 0 HB THR A 120 12.458 -4.951 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.388 -3.433 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.171 -3.049 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 120 10.134 -4.489 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.772 -3.991 5.672 1.00 0.00 H new ATOM 1867 N GLY A 121 11.281 -5.763 7.116 1.00 0.00 N ATOM 1868 CA GLY A 121 11.287 -5.775 8.569 1.00 0.00 C ATOM 1869 C GLY A 121 10.766 -4.451 9.131 1.00 0.00 C ATOM 1870 O GLY A 121 9.615 -4.363 9.555 1.00 0.00 O ATOM 0 H GLY A 121 10.550 -5.187 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 121 10.669 -6.596 8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 121 12.300 -5.954 8.930 1.00 0.00 H new ATOM 1874 N ALA A 122 11.639 -3.454 9.115 1.00 0.00 N ATOM 1875 CA ALA A 122 11.281 -2.138 9.618 1.00 0.00 C ATOM 1876 C ALA A 122 11.747 -1.073 8.623 1.00 0.00 C ATOM 1877 O ALA A 122 12.670 -1.307 7.845 1.00 0.00 O ATOM 1878 CB ALA A 122 11.886 -1.941 11.009 1.00 0.00 C ATOM 0 H ALA A 122 12.593 -3.531 8.762 1.00 0.00 H new ATOM 0 HA ALA A 122 10.199 -2.046 9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.618 -0.954 11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.501 -2.705 11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.971 -2.023 10.949 1.00 0.00 H new ATOM 1884 N ALA A 123 11.087 0.074 8.681 1.00 0.00 N ATOM 1885 CA ALA A 123 11.422 1.176 7.796 1.00 0.00 C ATOM 1886 C ALA A 123 12.345 2.152 8.528 1.00 0.00 C ATOM 1887 O ALA A 123 12.159 2.414 9.716 1.00 0.00 O ATOM 1888 CB ALA A 123 10.136 1.846 7.305 1.00 0.00 C ATOM 0 H ALA A 123 10.321 0.264 9.328 1.00 0.00 H new ATOM 0 HA ALA A 123 11.957 0.813 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.387 2.673 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.530 1.118 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.574 2.224 8.159 1.00 0.00 H new ATOM 1894 N SER A 124 13.319 2.662 7.790 1.00 0.00 N ATOM 1895 CA SER A 124 14.272 3.603 8.355 1.00 0.00 C ATOM 1896 C SER A 124 13.964 5.018 7.862 1.00 0.00 C ATOM 1897 O SER A 124 14.720 5.951 8.130 1.00 0.00 O ATOM 1898 CB SER A 124 15.708 3.216 7.996 1.00 0.00 C ATOM 1899 OG SER A 124 16.635 3.611 9.003 1.00 0.00 O ATOM 0 H SER A 124 13.469 2.442 6.805 1.00 0.00 H new ATOM 0 HA SER A 124 14.178 3.575 9.441 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.767 2.137 7.852 1.00 0.00 H new ATOM 0 HB3 SER A 124 15.982 3.680 7.049 1.00 0.00 H new ATOM 0 HG SER A 124 17.540 3.345 8.737 1.00 0.00 H new ATOM 1905 N PHE A 125 12.853 5.134 7.150 1.00 0.00 N ATOM 1906 CA PHE A 125 12.436 6.420 6.617 1.00 0.00 C ATOM 1907 C PHE A 125 11.046 6.802 7.131 1.00 0.00 C ATOM 1908 O PHE A 125 10.338 5.969 7.693 1.00 0.00 O ATOM 1909 CB PHE A 125 12.382 6.277 5.095 1.00 0.00 C ATOM 1910 CG PHE A 125 11.530 5.103 4.610 1.00 0.00 C ATOM 1911 CD1 PHE A 125 10.187 5.105 4.819 1.00 0.00 C ATOM 1912 CD2 PHE A 125 12.117 4.056 3.969 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.396 4.014 4.369 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.327 2.966 3.519 1.00 0.00 C ATOM 1915 CZ PHE A 125 9.983 2.968 3.728 1.00 0.00 C ATOM 0 H PHE A 125 12.228 4.358 6.930 1.00 0.00 H new ATOM 0 HA PHE A 125 13.135 7.196 6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.988 7.199 4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.397 6.157 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.721 5.936 5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.184 4.054 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.329 4.015 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.793 2.135 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.382 2.139 3.385 1.00 0.00 H new ATOM 1925 N THR A 126 10.699 8.063 6.920 1.00 0.00 N ATOM 1926 CA THR A 126 9.407 8.566 7.354 1.00 0.00 C ATOM 1927 C THR A 126 8.504 8.831 6.148 1.00 0.00 C ATOM 1928 O THR A 126 8.738 9.769 5.387 1.00 0.00 O ATOM 1929 CB THR A 126 9.648 9.807 8.217 1.00 0.00 C ATOM 1930 OG1 THR A 126 10.461 9.333 9.287 1.00 0.00 O ATOM 1931 CG2 THR A 126 8.373 10.297 8.906 1.00 0.00 C ATOM 0 H THR A 126 11.290 8.751 6.454 1.00 0.00 H new ATOM 0 HA THR A 126 8.879 7.829 7.959 1.00 0.00 H new ATOM 0 HB THR A 126 10.056 10.606 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 126 10.667 10.074 9.895 1.00 0.00 H new ATOM 0 HG21 THR A 126 8.599 11.179 9.505 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.627 10.552 8.153 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.983 9.510 9.551 1.00 0.00 H new ATOM 1939 N VAL A 127 7.491 7.988 6.011 1.00 0.00 N ATOM 1940 CA VAL A 127 6.552 8.119 4.910 1.00 0.00 C ATOM 1941 C VAL A 127 5.967 9.533 4.910 1.00 0.00 C ATOM 1942 O VAL A 127 5.795 10.138 5.967 1.00 0.00 O ATOM 1943 CB VAL A 127 5.482 7.030 5.002 1.00 0.00 C ATOM 1944 CG1 VAL A 127 4.362 7.274 3.988 1.00 0.00 C ATOM 1945 CG2 VAL A 127 6.096 5.641 4.817 1.00 0.00 C ATOM 0 H VAL A 127 7.300 7.212 6.644 1.00 0.00 H new ATOM 0 HA VAL A 127 7.060 7.977 3.956 1.00 0.00 H new ATOM 0 HB VAL A 127 5.045 7.073 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.615 6.485 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.896 8.239 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.777 7.272 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 127 5.314 4.885 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.572 5.581 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.840 5.466 5.594 1.00 0.00 H new ATOM 1955 N LYS A 128 5.678 10.019 3.712 1.00 0.00 N ATOM 1956 CA LYS A 128 5.116 11.351 3.560 1.00 0.00 C ATOM 1957 C LYS A 128 3.623 11.237 3.243 1.00 0.00 C ATOM 1958 O LYS A 128 3.243 11.053 2.088 1.00 0.00 O ATOM 1959 CB LYS A 128 5.905 12.151 2.522 1.00 0.00 C ATOM 1960 CG LYS A 128 5.229 13.492 2.233 1.00 0.00 C ATOM 1961 CD LYS A 128 5.162 13.759 0.728 1.00 0.00 C ATOM 1962 CE LYS A 128 6.524 14.200 0.188 1.00 0.00 C ATOM 1963 NZ LYS A 128 6.957 15.456 0.839 1.00 0.00 N ATOM 0 H LYS A 128 5.822 9.515 2.837 1.00 0.00 H new ATOM 0 HA LYS A 128 5.203 11.909 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.919 12.321 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 128 5.988 11.575 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.223 13.494 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.780 14.294 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.836 12.858 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.419 14.530 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.263 13.418 0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 128 6.465 14.344 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 7.617 15.961 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 6.127 16.055 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 7.431 15.235 1.738 1.00 0.00 H new ATOM 1977 N GLU A 129 2.818 11.350 4.289 1.00 0.00 N ATOM 1978 CA GLU A 129 1.376 11.262 4.137 1.00 0.00 C ATOM 1979 C GLU A 129 0.823 12.566 3.559 1.00 0.00 C ATOM 1980 O GLU A 129 -0.037 13.203 4.166 1.00 0.00 O ATOM 1981 CB GLU A 129 0.703 10.924 5.469 1.00 0.00 C ATOM 1982 CG GLU A 129 0.306 9.447 5.523 1.00 0.00 C ATOM 1983 CD GLU A 129 -1.062 9.272 6.185 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -2.067 9.528 5.488 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -1.071 8.885 7.374 1.00 0.00 O ATOM 0 H GLU A 129 3.137 11.502 5.246 1.00 0.00 H new ATOM 0 HA GLU A 129 1.153 10.454 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.381 11.152 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.181 11.547 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.281 9.036 4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.057 8.885 6.078 1.00 0.00 H new ATOM 1992 N ASP A 130 1.338 12.925 2.392 1.00 0.00 N ATOM 1993 CA ASP A 130 0.906 14.142 1.726 1.00 0.00 C ATOM 1994 C ASP A 130 0.966 13.937 0.210 1.00 0.00 C ATOM 1995 O ASP A 130 0.023 14.276 -0.503 1.00 0.00 O ATOM 1996 CB ASP A 130 1.819 15.318 2.080 1.00 0.00 C ATOM 1997 CG ASP A 130 1.343 16.174 3.255 1.00 0.00 C ATOM 1998 OD1 ASP A 130 0.488 15.670 4.015 1.00 0.00 O ATOM 1999 OD2 ASP A 130 1.845 17.313 3.367 1.00 0.00 O ATOM 0 H ASP A 130 2.050 12.394 1.891 1.00 0.00 H new ATOM 0 HA ASP A 130 -0.110 14.363 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.812 14.931 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.921 15.956 1.202 1.00 0.00 H new ATOM 2004 N ASN A 131 2.084 13.383 -0.236 1.00 0.00 N ATOM 2005 CA ASN A 131 2.279 13.128 -1.653 1.00 0.00 C ATOM 2006 C ASN A 131 1.617 11.800 -2.025 1.00 0.00 C ATOM 2007 O ASN A 131 2.262 10.917 -2.588 1.00 0.00 O ATOM 2008 CB ASN A 131 3.766 13.027 -1.995 1.00 0.00 C ATOM 2009 CG ASN A 131 3.979 12.976 -3.509 1.00 0.00 C ATOM 2010 OD1 ASN A 131 3.496 13.808 -4.259 1.00 0.00 O ATOM 2011 ND2 ASN A 131 4.727 11.954 -3.916 1.00 0.00 N ATOM 0 H ASN A 131 2.864 13.104 0.359 1.00 0.00 H new ATOM 0 HA ASN A 131 1.837 13.956 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 131 4.297 13.883 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 131 4.189 12.134 -1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.927 11.832 -4.909 1.00 0.00 H new ATOM 0 HD22 ASN A 131 5.101 11.293 -3.235 1.00 0.00 H new ATOM 2018 N ASN A 132 0.338 11.700 -1.694 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.419 10.494 -1.986 1.00 0.00 C ATOM 2020 C ASN A 132 -0.638 10.387 -3.496 1.00 0.00 C ATOM 2021 O ASN A 132 -0.999 11.368 -4.145 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.791 10.528 -1.310 1.00 0.00 C ATOM 2023 CG ASN A 132 -2.282 9.113 -0.995 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -2.355 8.248 -1.852 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -2.614 8.928 0.279 1.00 0.00 N ATOM 0 H ASN A 132 -0.193 12.434 -1.226 1.00 0.00 H new ATOM 0 HA ASN A 132 0.147 9.642 -1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -1.733 11.110 -0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -2.508 11.030 -1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -2.954 8.018 0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -2.529 9.696 0.945 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.410 9.188 -4.012 1.00 0.00 N ATOM 2033 CA LEU A 133 -0.578 8.941 -5.433 1.00 0.00 C ATOM 2034 C LEU A 133 -1.970 8.357 -5.684 1.00 0.00 C ATOM 2035 O LEU A 133 -2.466 8.386 -6.809 1.00 0.00 O ATOM 2036 CB LEU A 133 0.560 8.067 -5.963 1.00 0.00 C ATOM 2037 CG LEU A 133 1.957 8.387 -5.427 1.00 0.00 C ATOM 2038 CD1 LEU A 133 3.037 7.705 -6.269 1.00 0.00 C ATOM 2039 CD2 LEU A 133 2.174 9.898 -5.329 1.00 0.00 C ATOM 0 H LEU A 133 -0.110 8.377 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.518 9.875 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.332 7.027 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.581 8.152 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 133 2.036 7.985 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.020 7.949 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.892 6.625 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.970 8.054 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.175 10.098 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.068 10.346 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.434 10.329 -4.654 1.00 0.00 H new ATOM 2051 N SER A 134 -2.561 7.840 -4.617 1.00 0.00 N ATOM 2052 CA SER A 134 -3.886 7.250 -4.707 1.00 0.00 C ATOM 2053 C SER A 134 -4.951 8.347 -4.672 1.00 0.00 C ATOM 2054 O SER A 134 -6.146 8.059 -4.716 1.00 0.00 O ATOM 2055 CB SER A 134 -4.120 6.246 -3.576 1.00 0.00 C ATOM 2056 OG SER A 134 -5.317 6.525 -2.855 1.00 0.00 O ATOM 0 H SER A 134 -2.147 7.817 -3.685 1.00 0.00 H new ATOM 0 HA SER A 134 -3.958 6.713 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.172 5.239 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.272 6.266 -2.892 1.00 0.00 H new ATOM 0 HG SER A 134 -6.009 6.833 -3.477 1.00 0.00 H new