USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 425 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 54 MET CE :methyl -179:sc= 0 (180deg=-0.00207) USER MOD Set 1.2: A 60 SER OG : rot -90:sc= 1.24 USER MOD Set 2.1: A 37 CYS SG : rot 93:sc= 0.243 USER MOD Set 2.2: A 39 HIS : no HD1:sc= -1.16 K(o=0.4,f=-1.4) USER MOD Set 2.3: A 62 CYS SG : rot 140:sc= 1.51 USER MOD Set 2.4: A 65 CYS SG : rot -54:sc= -0.187 USER MOD Set 3.1: A 22 CYS SG : rot 98:sc= 0.608! USER MOD Set 3.2: A 25 CYS SG : rot -61:sc= -0.827 USER MOD Set 3.3: A 42 CYS SG : rot 88:sc= -1.17! USER MOD Set 3.4: A 45 CYS SG : rot 129:sc= -1.1 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.37) USER MOD Single : A 47 THR OG1 : rot 90:sc= 0.137 USER MOD Single : A 49 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.4) USER MOD Single : A 50 HIS :FLIP no HE2:sc= -0.84 F(o=-1.6,f=-0.84) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= -0.135 (180deg=-0.53) USER MOD Single : A 53 SER OG : rot 81:sc= -0.168 USER MOD Single : A 57 LYS NZ :NH3+ -123:sc= -0.0302 (180deg=-0.252) USER MOD Single : A 61 SER OG : rot 68:sc= 0.372 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 165:sc= -0.166 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.498 -9.725 -25.756 1.00 0.00 N ATOM 233 CA GLU A 19 -6.394 -9.017 -26.662 1.00 0.00 C ATOM 234 C GLU A 19 -6.574 -7.566 -26.225 1.00 0.00 C ATOM 235 O GLU A 19 -6.307 -6.638 -26.989 1.00 0.00 O ATOM 236 CB GLU A 19 -7.753 -9.716 -26.721 1.00 0.00 C ATOM 237 CG GLU A 19 -8.298 -10.104 -25.357 1.00 0.00 C ATOM 238 CD GLU A 19 -9.168 -11.345 -25.407 1.00 0.00 C ATOM 239 OE1 GLU A 19 -8.615 -12.461 -25.321 1.00 0.00 O ATOM 240 OE2 GLU A 19 -10.402 -11.199 -25.533 1.00 0.00 O ATOM 0 HA GLU A 19 -5.946 -9.026 -27.656 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.469 -9.059 -27.215 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.665 -10.612 -27.336 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.467 -10.275 -24.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.878 -9.275 -24.952 1.00 0.00 H new ATOM 247 N VAL A 20 -7.030 -7.378 -24.991 1.00 0.00 N ATOM 248 CA VAL A 20 -7.247 -6.041 -24.451 1.00 0.00 C ATOM 249 C VAL A 20 -6.121 -5.643 -23.503 1.00 0.00 C ATOM 250 O VAL A 20 -5.801 -6.369 -22.561 1.00 0.00 O ATOM 251 CB VAL A 20 -8.590 -5.948 -23.704 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.840 -4.525 -23.229 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.728 -6.430 -24.591 1.00 0.00 C ATOM 0 H VAL A 20 -7.256 -8.135 -24.346 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.264 -5.356 -25.299 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.543 -6.595 -22.828 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.794 -4.479 -22.703 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.039 -4.220 -22.555 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.866 -3.854 -24.088 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.670 -6.357 -24.047 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.778 -5.811 -25.487 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.553 -7.467 -24.876 1.00 0.00 H new ATOM 263 N THR A 21 -5.523 -4.483 -23.756 1.00 0.00 N ATOM 264 CA THR A 21 -4.433 -3.987 -22.926 1.00 0.00 C ATOM 265 C THR A 21 -4.765 -2.619 -22.341 1.00 0.00 C ATOM 266 O THR A 21 -5.438 -1.807 -22.977 1.00 0.00 O ATOM 267 CB THR A 21 -3.120 -3.886 -23.725 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.926 -5.074 -24.501 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.934 -3.683 -22.793 1.00 0.00 C ATOM 0 H THR A 21 -5.776 -3.869 -24.530 1.00 0.00 H new ATOM 0 HA THR A 21 -4.302 -4.704 -22.115 1.00 0.00 H new ATOM 0 HB THR A 21 -3.190 -3.026 -24.391 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.090 -5.001 -25.007 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.018 -3.615 -23.380 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.071 -2.763 -22.225 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.863 -4.526 -22.106 1.00 0.00 H new ATOM 277 N CYS A 22 -4.289 -2.369 -21.126 1.00 0.00 N ATOM 278 CA CYS A 22 -4.535 -1.099 -20.454 1.00 0.00 C ATOM 279 C CYS A 22 -3.599 -0.015 -20.981 1.00 0.00 C ATOM 280 O CYS A 22 -2.377 -0.161 -20.979 1.00 0.00 O ATOM 281 CB CYS A 22 -4.355 -1.254 -18.943 1.00 0.00 C ATOM 282 SG CYS A 22 -4.667 0.271 -17.996 1.00 0.00 S ATOM 0 H CYS A 22 -3.730 -3.030 -20.586 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.562 -0.800 -20.661 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.027 -2.034 -18.586 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.339 -1.592 -18.742 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.876 0.246 -17.519 1.00 0.00 H new ATOM 287 N PRO A 23 -4.185 1.100 -21.442 1.00 0.00 N ATOM 288 CA PRO A 23 -3.423 2.231 -21.979 1.00 0.00 C ATOM 289 C PRO A 23 -2.644 2.971 -20.897 1.00 0.00 C ATOM 290 O PRO A 23 -1.955 3.953 -21.177 1.00 0.00 O ATOM 291 CB PRO A 23 -4.504 3.137 -22.574 1.00 0.00 C ATOM 292 CG PRO A 23 -5.739 2.805 -21.810 1.00 0.00 C ATOM 293 CD PRO A 23 -5.637 1.343 -21.474 1.00 0.00 C ATOM 0 HA PRO A 23 -2.672 1.910 -22.701 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.242 4.190 -22.465 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.635 2.949 -23.640 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.813 3.409 -20.906 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.631 3.008 -22.403 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.103 1.118 -20.515 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.132 0.723 -22.222 1.00 0.00 H new ATOM 301 N ILE A 24 -2.756 2.493 -19.662 1.00 0.00 N ATOM 302 CA ILE A 24 -2.060 3.109 -18.539 1.00 0.00 C ATOM 303 C ILE A 24 -0.888 2.249 -18.080 1.00 0.00 C ATOM 304 O ILE A 24 0.274 2.612 -18.267 1.00 0.00 O ATOM 305 CB ILE A 24 -3.009 3.342 -17.349 1.00 0.00 C ATOM 306 CG1 ILE A 24 -3.985 4.478 -17.661 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.212 3.652 -16.090 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.322 4.333 -16.969 1.00 0.00 C ATOM 0 H ILE A 24 -3.322 1.681 -19.414 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.686 4.071 -18.889 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.584 2.432 -17.178 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.533 5.425 -17.366 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.145 4.523 -18.738 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.896 3.814 -15.257 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.554 2.814 -15.861 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.615 4.550 -16.249 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.963 5.173 -17.236 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.795 3.402 -17.282 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.173 4.319 -15.889 1.00 0.00 H new ATOM 320 N CYS A 25 -1.200 1.106 -17.480 1.00 0.00 N ATOM 321 CA CYS A 25 -0.173 0.191 -16.994 1.00 0.00 C ATOM 322 C CYS A 25 0.389 -0.650 -18.136 1.00 0.00 C ATOM 323 O CYS A 25 1.377 -1.366 -17.967 1.00 0.00 O ATOM 324 CB CYS A 25 -0.745 -0.721 -15.908 1.00 0.00 C ATOM 325 SG CYS A 25 -2.157 -1.734 -16.455 1.00 0.00 S ATOM 0 H CYS A 25 -2.156 0.790 -17.318 1.00 0.00 H new ATOM 0 HA CYS A 25 0.637 0.785 -16.570 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.045 -1.381 -15.550 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.057 -0.109 -15.062 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.128 -0.957 -16.834 1.00 0.00 H new ATOM 330 N LEU A 26 -0.246 -0.560 -19.299 1.00 0.00 N ATOM 331 CA LEU A 26 0.190 -1.312 -20.470 1.00 0.00 C ATOM 332 C LEU A 26 0.610 -2.726 -20.083 1.00 0.00 C ATOM 333 O LEU A 26 1.654 -3.214 -20.516 1.00 0.00 O ATOM 334 CB LEU A 26 1.352 -0.593 -21.159 1.00 0.00 C ATOM 335 CG LEU A 26 1.225 0.926 -21.279 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.522 1.531 -21.792 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.064 1.294 -22.191 1.00 0.00 C ATOM 0 H LEU A 26 -1.065 0.027 -19.456 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.650 -1.378 -21.162 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.268 -0.819 -20.613 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.467 -1.008 -22.160 1.00 0.00 H new ATOM 0 HG LEU A 26 1.025 1.334 -20.288 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.413 2.613 -21.871 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.331 1.298 -21.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.753 1.117 -22.773 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.011 2.379 -22.265 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.233 0.874 -23.183 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.863 0.893 -21.780 1.00 0.00 H new ATOM 349 N GLU A 27 -0.211 -3.380 -19.268 1.00 0.00 N ATOM 350 CA GLU A 27 0.075 -4.739 -18.824 1.00 0.00 C ATOM 351 C GLU A 27 -0.948 -5.722 -19.386 1.00 0.00 C ATOM 352 O GLU A 27 -0.633 -6.535 -20.255 1.00 0.00 O ATOM 353 CB GLU A 27 0.081 -4.810 -17.296 1.00 0.00 C ATOM 354 CG GLU A 27 1.170 -3.968 -16.652 1.00 0.00 C ATOM 355 CD GLU A 27 1.636 -4.533 -15.324 1.00 0.00 C ATOM 356 OE1 GLU A 27 1.764 -5.771 -15.217 1.00 0.00 O ATOM 357 OE2 GLU A 27 1.872 -3.737 -14.391 1.00 0.00 O ATOM 0 H GLU A 27 -1.080 -2.991 -18.902 1.00 0.00 H new ATOM 0 HA GLU A 27 1.061 -5.015 -19.197 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.889 -4.483 -16.922 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.207 -5.848 -16.989 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.020 -3.899 -17.331 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.799 -2.954 -16.501 1.00 0.00 H new ATOM 364 N LEU A 28 -2.175 -5.641 -18.882 1.00 0.00 N ATOM 365 CA LEU A 28 -3.246 -6.523 -19.332 1.00 0.00 C ATOM 366 C LEU A 28 -4.598 -6.051 -18.805 1.00 0.00 C ATOM 367 O LEU A 28 -4.692 -5.515 -17.700 1.00 0.00 O ATOM 368 CB LEU A 28 -2.979 -7.958 -18.873 1.00 0.00 C ATOM 369 CG LEU A 28 -4.191 -8.890 -18.847 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.893 -8.891 -20.196 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.769 -10.301 -18.463 1.00 0.00 C ATOM 0 H LEU A 28 -2.452 -4.974 -18.162 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.272 -6.496 -20.421 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.225 -8.394 -19.528 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.550 -7.924 -17.872 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.891 -8.524 -18.096 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.753 -9.560 -20.158 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.229 -7.881 -20.432 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.201 -9.233 -20.966 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.644 -10.951 -18.449 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.049 -10.676 -19.191 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.311 -10.287 -17.474 1.00 0.00 H new ATOM 383 N LEU A 29 -5.641 -6.257 -19.600 1.00 0.00 N ATOM 384 CA LEU A 29 -6.989 -5.855 -19.213 1.00 0.00 C ATOM 385 C LEU A 29 -7.959 -7.027 -19.320 1.00 0.00 C ATOM 386 O LEU A 29 -8.498 -7.307 -20.391 1.00 0.00 O ATOM 387 CB LEU A 29 -7.470 -4.699 -20.092 1.00 0.00 C ATOM 388 CG LEU A 29 -7.024 -3.300 -19.665 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.784 -2.237 -20.441 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.220 -3.112 -18.167 1.00 0.00 C ATOM 0 H LEU A 29 -5.580 -6.700 -20.517 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.959 -5.526 -18.174 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.123 -4.874 -21.110 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.559 -4.719 -20.119 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.963 -3.194 -19.889 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.453 -1.248 -20.123 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.593 -2.358 -21.507 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.852 -2.341 -20.250 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.897 -2.111 -17.881 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.274 -3.238 -17.919 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.629 -3.852 -17.627 1.00 0.00 H new ATOM 402 N THR A 30 -8.179 -7.711 -18.201 1.00 0.00 N ATOM 403 CA THR A 30 -9.085 -8.852 -18.168 1.00 0.00 C ATOM 404 C THR A 30 -10.456 -8.451 -17.636 1.00 0.00 C ATOM 405 O THR A 30 -11.479 -8.977 -18.074 1.00 0.00 O ATOM 406 CB THR A 30 -8.522 -9.990 -17.296 1.00 0.00 C ATOM 407 OG1 THR A 30 -9.553 -10.942 -17.008 1.00 0.00 O ATOM 408 CG2 THR A 30 -7.951 -9.445 -15.996 1.00 0.00 C ATOM 0 H THR A 30 -7.742 -7.494 -17.305 1.00 0.00 H new ATOM 0 HA THR A 30 -9.186 -9.205 -19.194 1.00 0.00 H new ATOM 0 HB THR A 30 -7.720 -10.479 -17.849 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.187 -11.663 -16.455 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.560 -10.268 -15.397 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.147 -8.743 -16.218 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.736 -8.933 -15.440 1.00 0.00 H new ATOM 416 N GLN A 31 -10.469 -7.516 -16.692 1.00 0.00 N ATOM 417 CA GLN A 31 -11.716 -7.044 -16.101 1.00 0.00 C ATOM 418 C GLN A 31 -11.748 -5.521 -16.040 1.00 0.00 C ATOM 419 O GLN A 31 -12.002 -4.922 -14.995 1.00 0.00 O ATOM 420 CB GLN A 31 -11.893 -7.627 -14.698 1.00 0.00 C ATOM 421 CG GLN A 31 -10.751 -7.291 -13.752 1.00 0.00 C ATOM 422 CD GLN A 31 -10.704 -8.208 -12.545 1.00 0.00 C ATOM 423 OE1 GLN A 31 -9.740 -8.949 -12.351 1.00 0.00 O ATOM 424 NE2 GLN A 31 -11.749 -8.162 -11.726 1.00 0.00 N ATOM 0 H GLN A 31 -9.630 -7.070 -16.320 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.538 -7.381 -16.733 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.826 -7.256 -14.274 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.985 -8.711 -14.773 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.806 -7.358 -14.291 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.854 -6.259 -13.416 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.526 -7.533 -11.926 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.774 -8.756 -10.897 1.00 0.00 H new ATOM 433 N PRO A 32 -11.485 -4.877 -17.187 1.00 0.00 N ATOM 434 CA PRO A 32 -11.477 -3.414 -17.289 1.00 0.00 C ATOM 435 C PRO A 32 -12.875 -2.817 -17.161 1.00 0.00 C ATOM 436 O PRO A 32 -13.871 -3.541 -17.139 1.00 0.00 O ATOM 437 CB PRO A 32 -10.914 -3.160 -18.690 1.00 0.00 C ATOM 438 CG PRO A 32 -11.239 -4.394 -19.459 1.00 0.00 C ATOM 439 CD PRO A 32 -11.174 -5.526 -18.471 1.00 0.00 C ATOM 0 HA PRO A 32 -10.896 -2.952 -16.491 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.367 -2.279 -19.145 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.839 -2.985 -18.659 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.230 -4.324 -19.908 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.530 -4.545 -20.273 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.893 -6.309 -18.710 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.188 -5.991 -18.458 1.00 0.00 H new ATOM 447 N LEU A 33 -12.941 -1.493 -17.076 1.00 0.00 N ATOM 448 CA LEU A 33 -14.218 -0.798 -16.950 1.00 0.00 C ATOM 449 C LEU A 33 -14.606 -0.130 -18.265 1.00 0.00 C ATOM 450 O LEU A 33 -13.781 0.014 -19.167 1.00 0.00 O ATOM 451 CB LEU A 33 -14.144 0.248 -15.836 1.00 0.00 C ATOM 452 CG LEU A 33 -13.524 -0.218 -14.518 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.486 0.923 -13.513 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.297 -1.402 -13.955 1.00 0.00 C ATOM 0 H LEU A 33 -12.126 -0.879 -17.092 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.981 -1.534 -16.699 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.572 1.100 -16.202 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.153 0.606 -15.633 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.500 -0.537 -14.713 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.042 0.573 -12.581 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.889 1.742 -13.914 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.500 1.273 -13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.842 -1.721 -13.017 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.331 -1.109 -13.776 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.272 -2.225 -14.669 1.00 0.00 H new ATOM 466 N SER A 34 -15.867 0.278 -18.366 1.00 0.00 N ATOM 467 CA SER A 34 -16.365 0.930 -19.571 1.00 0.00 C ATOM 468 C SER A 34 -16.686 2.397 -19.302 1.00 0.00 C ATOM 469 O SER A 34 -17.083 2.765 -18.196 1.00 0.00 O ATOM 470 CB SER A 34 -17.612 0.210 -20.088 1.00 0.00 C ATOM 471 OG SER A 34 -18.160 0.880 -21.210 1.00 0.00 O ATOM 0 H SER A 34 -16.562 0.168 -17.628 1.00 0.00 H new ATOM 0 HA SER A 34 -15.584 0.880 -20.330 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.357 -0.814 -20.361 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.358 0.153 -19.295 1.00 0.00 H new ATOM 0 HG SER A 34 -18.955 0.399 -21.522 1.00 0.00 H new ATOM 477 N LEU A 35 -16.512 3.231 -20.322 1.00 0.00 N ATOM 478 CA LEU A 35 -16.783 4.659 -20.198 1.00 0.00 C ATOM 479 C LEU A 35 -17.695 5.140 -21.322 1.00 0.00 C ATOM 480 O LEU A 35 -18.107 4.357 -22.178 1.00 0.00 O ATOM 481 CB LEU A 35 -15.474 5.449 -20.214 1.00 0.00 C ATOM 482 CG LEU A 35 -14.405 4.997 -19.218 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.045 5.560 -19.603 1.00 0.00 C ATOM 484 CD2 LEU A 35 -14.778 5.421 -17.805 1.00 0.00 C ATOM 0 H LEU A 35 -16.184 2.943 -21.244 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.290 4.827 -19.248 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.053 5.395 -21.218 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.703 6.497 -20.020 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.347 3.909 -19.246 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.297 5.228 -18.883 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.773 5.207 -20.598 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.089 6.649 -19.604 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.006 5.091 -17.110 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.865 6.507 -17.762 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.731 4.970 -17.529 1.00 0.00 H new ATOM 496 N ASP A 36 -18.003 6.432 -21.314 1.00 0.00 N ATOM 497 CA ASP A 36 -18.863 7.019 -22.335 1.00 0.00 C ATOM 498 C ASP A 36 -18.033 7.668 -23.438 1.00 0.00 C ATOM 499 O ASP A 36 -18.480 8.608 -24.096 1.00 0.00 O ATOM 500 CB ASP A 36 -19.800 8.053 -21.710 1.00 0.00 C ATOM 501 CG ASP A 36 -20.822 7.424 -20.783 1.00 0.00 C ATOM 502 OD1 ASP A 36 -21.690 6.676 -21.279 1.00 0.00 O ATOM 503 OD2 ASP A 36 -20.754 7.680 -19.563 1.00 0.00 O ATOM 0 H ASP A 36 -17.670 7.093 -20.612 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.459 6.220 -22.776 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -19.211 8.783 -21.155 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.317 8.595 -22.501 1.00 0.00 H new ATOM 508 N CYS A 37 -16.820 7.161 -23.635 1.00 0.00 N ATOM 509 CA CYS A 37 -15.925 7.691 -24.656 1.00 0.00 C ATOM 510 C CYS A 37 -15.540 6.606 -25.658 1.00 0.00 C ATOM 511 O CYS A 37 -15.482 6.851 -26.862 1.00 0.00 O ATOM 512 CB CYS A 37 -14.667 8.273 -24.010 1.00 0.00 C ATOM 513 SG CYS A 37 -13.481 7.019 -23.429 1.00 0.00 S ATOM 0 H CYS A 37 -16.435 6.383 -23.100 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.451 8.483 -25.189 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.169 8.922 -24.730 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -14.961 8.898 -23.167 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.612 6.776 -24.365 1.00 0.00 H new ATOM 518 N GLY A 38 -15.278 5.405 -25.150 1.00 0.00 N ATOM 519 CA GLY A 38 -14.902 4.301 -26.014 1.00 0.00 C ATOM 520 C GLY A 38 -13.521 3.762 -25.697 1.00 0.00 C ATOM 521 O GLY A 38 -12.769 3.393 -26.600 1.00 0.00 O ATOM 0 H GLY A 38 -15.319 5.177 -24.157 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.634 3.499 -25.913 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.931 4.630 -27.053 1.00 0.00 H new ATOM 525 N HIS A 39 -13.185 3.718 -24.412 1.00 0.00 N ATOM 526 CA HIS A 39 -11.884 3.221 -23.979 1.00 0.00 C ATOM 527 C HIS A 39 -11.985 2.554 -22.610 1.00 0.00 C ATOM 528 O HIS A 39 -12.584 3.102 -21.685 1.00 0.00 O ATOM 529 CB HIS A 39 -10.869 4.363 -23.929 1.00 0.00 C ATOM 530 CG HIS A 39 -10.540 4.931 -25.275 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.963 6.176 -25.691 1.00 0.00 N ATOM 532 CD2 HIS A 39 -9.822 4.417 -26.301 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.521 6.402 -26.915 1.00 0.00 C ATOM 534 NE2 HIS A 39 -9.825 5.351 -27.308 1.00 0.00 N ATOM 0 H HIS A 39 -13.795 4.020 -23.653 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.548 2.478 -24.702 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.260 5.158 -23.294 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.952 4.003 -23.462 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.337 3.452 -26.324 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.699 7.295 -27.496 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.364 5.249 -28.212 1.00 0.00 H new ATOM 542 N SER A 40 -11.396 1.369 -22.490 1.00 0.00 N ATOM 543 CA SER A 40 -11.424 0.625 -21.236 1.00 0.00 C ATOM 544 C SER A 40 -10.180 0.918 -20.403 1.00 0.00 C ATOM 545 O SER A 40 -9.190 1.446 -20.910 1.00 0.00 O ATOM 546 CB SER A 40 -11.526 -0.876 -21.511 1.00 0.00 C ATOM 547 OG SER A 40 -12.166 -1.125 -22.750 1.00 0.00 O ATOM 0 H SER A 40 -10.894 0.903 -23.246 1.00 0.00 H new ATOM 0 HA SER A 40 -12.301 0.944 -20.672 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.529 -1.316 -21.518 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.082 -1.359 -20.707 1.00 0.00 H new ATOM 0 HG SER A 40 -12.217 -2.092 -22.903 1.00 0.00 H new ATOM 553 N PHE A 41 -10.238 0.571 -19.121 1.00 0.00 N ATOM 554 CA PHE A 41 -9.117 0.797 -18.216 1.00 0.00 C ATOM 555 C PHE A 41 -9.235 -0.083 -16.975 1.00 0.00 C ATOM 556 O PHE A 41 -10.167 -0.877 -16.849 1.00 0.00 O ATOM 557 CB PHE A 41 -9.053 2.270 -17.808 1.00 0.00 C ATOM 558 CG PHE A 41 -8.967 3.212 -18.974 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.095 3.522 -19.716 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.758 3.789 -19.327 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.018 4.388 -20.790 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.675 4.657 -20.400 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.807 4.958 -21.132 1.00 0.00 C ATOM 0 H PHE A 41 -11.049 0.132 -18.686 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.199 0.533 -18.741 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.937 2.514 -17.219 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.188 2.423 -17.163 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.045 3.082 -19.452 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.870 3.558 -18.757 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.904 4.619 -21.362 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.726 5.099 -20.666 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.746 5.637 -21.969 1.00 0.00 H new ATOM 573 N CYS A 42 -8.282 0.064 -16.061 1.00 0.00 N ATOM 574 CA CYS A 42 -8.276 -0.716 -14.829 1.00 0.00 C ATOM 575 C CYS A 42 -9.040 0.007 -13.724 1.00 0.00 C ATOM 576 O CYS A 42 -8.958 1.228 -13.596 1.00 0.00 O ATOM 577 CB CYS A 42 -6.839 -0.986 -14.379 1.00 0.00 C ATOM 578 SG CYS A 42 -5.869 -1.991 -15.548 1.00 0.00 S ATOM 0 H CYS A 42 -7.503 0.717 -16.150 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.772 -1.666 -15.027 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.332 -0.033 -14.228 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.861 -1.491 -13.414 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.305 -1.214 -16.424 1.00 0.00 H new ATOM 583 N GLN A 43 -9.781 -0.757 -12.928 1.00 0.00 N ATOM 584 CA GLN A 43 -10.560 -0.189 -11.834 1.00 0.00 C ATOM 585 C GLN A 43 -9.681 0.664 -10.926 1.00 0.00 C ATOM 586 O GLN A 43 -10.173 1.541 -10.216 1.00 0.00 O ATOM 587 CB GLN A 43 -11.225 -1.302 -11.022 1.00 0.00 C ATOM 588 CG GLN A 43 -11.887 -0.811 -9.745 1.00 0.00 C ATOM 589 CD GLN A 43 -13.217 -0.131 -10.001 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.224 -0.790 -10.260 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.228 1.195 -9.929 1.00 0.00 N ATOM 0 H GLN A 43 -9.858 -1.770 -13.020 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.333 0.448 -12.264 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.973 -1.796 -11.642 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.476 -2.052 -10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.038 -1.654 -9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.219 -0.114 -9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.370 1.701 -9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.095 1.707 -10.091 1.00 0.00 H new ATOM 600 N ALA A 44 -8.379 0.400 -10.953 1.00 0.00 N ATOM 601 CA ALA A 44 -7.432 1.145 -10.133 1.00 0.00 C ATOM 602 C ALA A 44 -6.792 2.279 -10.926 1.00 0.00 C ATOM 603 O ALA A 44 -6.849 3.441 -10.523 1.00 0.00 O ATOM 604 CB ALA A 44 -6.361 0.213 -9.585 1.00 0.00 C ATOM 0 H ALA A 44 -7.956 -0.324 -11.534 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.979 1.584 -9.298 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.661 0.783 -8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.829 -0.560 -8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.826 -0.252 -10.413 1.00 0.00 H new ATOM 610 N CYS A 45 -6.184 1.935 -12.056 1.00 0.00 N ATOM 611 CA CYS A 45 -5.532 2.924 -12.906 1.00 0.00 C ATOM 612 C CYS A 45 -6.429 4.142 -13.109 1.00 0.00 C ATOM 613 O CYS A 45 -5.970 5.283 -13.041 1.00 0.00 O ATOM 614 CB CYS A 45 -5.176 2.308 -14.261 1.00 0.00 C ATOM 615 SG CYS A 45 -3.942 0.971 -14.168 1.00 0.00 S ATOM 0 H CYS A 45 -6.129 0.978 -12.405 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.617 3.247 -12.409 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.084 1.918 -14.721 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.798 3.092 -14.917 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.385 -0.074 -14.802 1.00 0.00 H new ATOM 620 N LEU A 46 -7.709 3.892 -13.359 1.00 0.00 N ATOM 621 CA LEU A 46 -8.672 4.967 -13.571 1.00 0.00 C ATOM 622 C LEU A 46 -8.734 5.890 -12.359 1.00 0.00 C ATOM 623 O LEU A 46 -8.668 7.113 -12.491 1.00 0.00 O ATOM 624 CB LEU A 46 -10.058 4.388 -13.857 1.00 0.00 C ATOM 625 CG LEU A 46 -10.412 4.190 -15.332 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.445 3.084 -15.489 1.00 0.00 C ATOM 627 CD2 LEU A 46 -10.922 5.489 -15.938 1.00 0.00 C ATOM 0 H LEU A 46 -8.105 2.954 -13.420 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.344 5.550 -14.432 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.139 3.425 -13.352 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.804 5.046 -13.410 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.509 3.894 -15.866 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.685 2.957 -16.545 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.042 2.151 -15.094 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.349 3.350 -14.941 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.169 5.329 -16.988 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.813 5.816 -15.402 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.150 6.255 -15.860 1.00 0.00 H new ATOM 639 N THR A 47 -8.859 5.297 -11.176 1.00 0.00 N ATOM 640 CA THR A 47 -8.928 6.065 -9.939 1.00 0.00 C ATOM 641 C THR A 47 -7.708 6.965 -9.781 1.00 0.00 C ATOM 642 O THR A 47 -7.827 8.124 -9.386 1.00 0.00 O ATOM 643 CB THR A 47 -9.034 5.143 -8.710 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.229 4.357 -8.788 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.039 5.955 -7.423 1.00 0.00 C ATOM 0 H THR A 47 -8.915 4.287 -11.048 1.00 0.00 H new ATOM 0 HA THR A 47 -9.825 6.681 -10.000 1.00 0.00 H new ATOM 0 HB THR A 47 -8.166 4.484 -8.702 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.039 3.520 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.115 5.282 -6.569 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.116 6.530 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.890 6.635 -7.425 1.00 0.00 H new ATOM 653 N ALA A 48 -6.535 6.424 -10.094 1.00 0.00 N ATOM 654 CA ALA A 48 -5.293 7.180 -9.989 1.00 0.00 C ATOM 655 C ALA A 48 -5.154 8.169 -11.142 1.00 0.00 C ATOM 656 O ALA A 48 -4.502 9.204 -11.008 1.00 0.00 O ATOM 657 CB ALA A 48 -4.102 6.234 -9.956 1.00 0.00 C ATOM 0 H ALA A 48 -6.419 5.465 -10.422 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.318 7.748 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.181 6.811 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.189 5.570 -9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.082 5.642 -10.871 1.00 0.00 H new ATOM 663 N ASN A 49 -5.769 7.842 -12.273 1.00 0.00 N ATOM 664 CA ASN A 49 -5.712 8.702 -13.450 1.00 0.00 C ATOM 665 C ASN A 49 -6.759 9.809 -13.366 1.00 0.00 C ATOM 666 O ASN A 49 -6.686 10.804 -14.089 1.00 0.00 O ATOM 667 CB ASN A 49 -5.926 7.878 -14.721 1.00 0.00 C ATOM 668 CG ASN A 49 -5.689 8.687 -15.982 1.00 0.00 C ATOM 669 OD1 ASN A 49 -4.547 8.950 -16.358 1.00 0.00 O ATOM 670 ND2 ASN A 49 -6.771 9.085 -16.641 1.00 0.00 N ATOM 0 H ASN A 49 -6.313 6.988 -12.400 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.724 9.162 -13.485 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.254 7.020 -14.712 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.943 7.486 -14.730 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.675 9.632 -17.496 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.698 8.843 -16.292 1.00 0.00 H new ATOM 677 N HIS A 50 -7.733 9.629 -12.479 1.00 0.00 N ATOM 678 CA HIS A 50 -8.795 10.613 -12.300 1.00 0.00 C ATOM 679 C HIS A 50 -8.544 11.463 -11.058 1.00 0.00 C ATOM 680 O HIS A 50 -8.745 12.677 -11.072 1.00 0.00 O ATOM 681 CB HIS A 50 -10.151 9.916 -12.190 1.00 0.00 C ATOM 682 CG HIS A 50 -10.651 9.369 -13.491 1.00 0.00 C ATOM 683 ND1 HIS A 50 -10.157 9.479 -14.746 1.00 0.00 N flip ATOM 684 CD2 HIS A 50 -11.795 8.606 -13.597 1.00 0.00 C flip ATOM 685 CE1 HIS A 50 -11.001 8.787 -15.579 1.00 0.00 C flip ATOM 686 NE2 HIS A 50 -11.981 8.269 -14.861 1.00 0.00 N flip ATOM 0 H HIS A 50 -7.809 8.812 -11.874 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.801 11.268 -13.171 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.074 9.102 -11.469 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.882 10.622 -11.797 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -9.314 9.983 -15.022 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.438 8.328 -12.775 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.883 8.683 -16.647 1.00 0.00 H new ATOM 694 N LYS A 51 -8.103 10.816 -9.984 1.00 0.00 N ATOM 695 CA LYS A 51 -7.824 11.511 -8.733 1.00 0.00 C ATOM 696 C LYS A 51 -6.607 12.420 -8.875 1.00 0.00 C ATOM 697 O LYS A 51 -6.490 13.432 -8.184 1.00 0.00 O ATOM 698 CB LYS A 51 -7.591 10.503 -7.606 1.00 0.00 C ATOM 699 CG LYS A 51 -6.182 9.937 -7.577 1.00 0.00 C ATOM 700 CD LYS A 51 -6.058 8.801 -6.576 1.00 0.00 C ATOM 701 CE LYS A 51 -5.828 9.322 -5.166 1.00 0.00 C ATOM 702 NZ LYS A 51 -5.683 8.213 -4.182 1.00 0.00 N ATOM 0 H LYS A 51 -7.931 9.811 -9.955 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.690 12.127 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.800 10.984 -6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.301 9.683 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.912 9.579 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.477 10.727 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.964 8.195 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.232 8.150 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.932 9.942 -5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.662 9.960 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.528 8.609 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.548 7.636 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.872 7.619 -4.446 1.00 0.00 H new ATOM 716 N LYS A 52 -5.703 12.053 -9.778 1.00 0.00 N ATOM 717 CA LYS A 52 -4.496 12.836 -10.014 1.00 0.00 C ATOM 718 C LYS A 52 -4.812 14.095 -10.816 1.00 0.00 C ATOM 719 O LYS A 52 -4.242 15.158 -10.570 1.00 0.00 O ATOM 720 CB LYS A 52 -3.455 11.995 -10.755 1.00 0.00 C ATOM 721 CG LYS A 52 -3.738 11.845 -12.240 1.00 0.00 C ATOM 722 CD LYS A 52 -3.100 12.964 -13.045 1.00 0.00 C ATOM 723 CE LYS A 52 -1.586 12.957 -12.907 1.00 0.00 C ATOM 724 NZ LYS A 52 -1.023 11.584 -13.032 1.00 0.00 N ATOM 0 H LYS A 52 -5.784 11.218 -10.358 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.092 13.134 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.473 12.450 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.410 11.005 -10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.360 10.884 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.815 11.843 -12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.371 12.858 -14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.492 13.924 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.149 13.599 -13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.308 13.377 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.006 11.642 -13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.226 11.045 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.455 11.104 -13.847 1.00 0.00 H new ATOM 738 N SER A 53 -5.725 13.968 -11.773 1.00 0.00 N ATOM 739 CA SER A 53 -6.114 15.095 -12.612 1.00 0.00 C ATOM 740 C SER A 53 -6.348 16.345 -11.769 1.00 0.00 C ATOM 741 O SER A 53 -6.265 17.467 -12.267 1.00 0.00 O ATOM 742 CB SER A 53 -7.380 14.756 -13.403 1.00 0.00 C ATOM 743 OG SER A 53 -7.089 13.883 -14.481 1.00 0.00 O ATOM 0 H SER A 53 -6.209 13.096 -11.987 1.00 0.00 H new ATOM 0 HA SER A 53 -5.300 15.295 -13.309 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.112 14.292 -12.742 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.831 15.672 -13.784 1.00 0.00 H new ATOM 0 HG SER A 53 -7.031 12.962 -14.150 1.00 0.00 H new ATOM 749 N MET A 54 -6.639 16.141 -10.489 1.00 0.00 N ATOM 750 CA MET A 54 -6.883 17.251 -9.575 1.00 0.00 C ATOM 751 C MET A 54 -5.683 18.191 -9.528 1.00 0.00 C ATOM 752 O MET A 54 -5.836 19.412 -9.569 1.00 0.00 O ATOM 753 CB MET A 54 -7.190 16.726 -8.171 1.00 0.00 C ATOM 754 CG MET A 54 -8.661 16.421 -7.944 1.00 0.00 C ATOM 755 SD MET A 54 -9.090 14.720 -8.362 1.00 0.00 S ATOM 756 CE MET A 54 -10.288 14.984 -9.667 1.00 0.00 C ATOM 0 H MET A 54 -6.712 15.218 -10.061 1.00 0.00 H new ATOM 0 HA MET A 54 -7.744 17.809 -9.943 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.609 15.821 -7.995 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.863 17.462 -7.437 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.910 16.608 -6.899 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.266 17.102 -8.543 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.661 14.022 -10.018 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.118 15.578 -9.284 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.815 15.513 -10.494 1.00 0.00 H new ATOM 766 N LEU A 55 -4.489 17.615 -9.443 1.00 0.00 N ATOM 767 CA LEU A 55 -3.261 18.401 -9.390 1.00 0.00 C ATOM 768 C LEU A 55 -2.876 18.901 -10.778 1.00 0.00 C ATOM 769 O LEU A 55 -2.350 20.005 -10.928 1.00 0.00 O ATOM 770 CB LEU A 55 -2.123 17.567 -8.801 1.00 0.00 C ATOM 771 CG LEU A 55 -2.332 17.056 -7.376 1.00 0.00 C ATOM 772 CD1 LEU A 55 -3.232 15.830 -7.375 1.00 0.00 C ATOM 773 CD2 LEU A 55 -0.996 16.740 -6.720 1.00 0.00 C ATOM 0 H LEU A 55 -4.345 16.606 -9.409 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.438 19.265 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.954 16.709 -9.452 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.213 18.166 -8.821 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.820 17.840 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.369 15.480 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.200 16.089 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.772 15.041 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.165 16.378 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.479 15.974 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.385 17.642 -6.686 1.00 0.00 H new ATOM 785 N ASP A 56 -3.142 18.084 -11.791 1.00 0.00 N ATOM 786 CA ASP A 56 -2.825 18.445 -13.168 1.00 0.00 C ATOM 787 C ASP A 56 -3.630 19.664 -13.609 1.00 0.00 C ATOM 788 O ASP A 56 -3.093 20.765 -13.728 1.00 0.00 O ATOM 789 CB ASP A 56 -3.106 17.267 -14.104 1.00 0.00 C ATOM 790 CG ASP A 56 -1.894 16.375 -14.291 1.00 0.00 C ATOM 791 OD1 ASP A 56 -0.812 16.730 -13.780 1.00 0.00 O ATOM 792 OD2 ASP A 56 -2.029 15.322 -14.949 1.00 0.00 O ATOM 0 H ASP A 56 -3.576 17.167 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.765 18.694 -13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.930 16.677 -13.703 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.428 17.646 -15.074 1.00 0.00 H new ATOM 797 N LYS A 57 -4.920 19.459 -13.851 1.00 0.00 N ATOM 798 CA LYS A 57 -5.800 20.540 -14.279 1.00 0.00 C ATOM 799 C LYS A 57 -6.943 20.735 -13.289 1.00 0.00 C ATOM 800 O LYS A 57 -7.255 21.860 -12.900 1.00 0.00 O ATOM 801 CB LYS A 57 -6.362 20.246 -15.672 1.00 0.00 C ATOM 802 CG LYS A 57 -6.957 18.855 -15.807 1.00 0.00 C ATOM 803 CD LYS A 57 -7.412 18.579 -17.230 1.00 0.00 C ATOM 804 CE LYS A 57 -6.233 18.273 -18.142 1.00 0.00 C ATOM 805 NZ LYS A 57 -5.603 16.964 -17.814 1.00 0.00 N ATOM 0 H LYS A 57 -5.380 18.553 -13.758 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.215 21.459 -14.316 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.128 20.984 -15.909 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.567 20.365 -16.408 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.217 18.112 -15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.803 18.753 -15.127 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.105 17.738 -17.235 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.956 19.442 -17.613 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.569 18.265 -19.179 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.490 19.066 -18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.595 17.107 -17.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.076 16.549 -16.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.698 16.320 -18.625 1.00 0.00 H new ATOM 819 N GLY A 58 -7.563 19.632 -12.882 1.00 0.00 N ATOM 820 CA GLY A 58 -8.664 19.704 -11.939 1.00 0.00 C ATOM 821 C GLY A 58 -9.817 18.798 -12.323 1.00 0.00 C ATOM 822 O GLY A 58 -10.418 18.152 -11.466 1.00 0.00 O ATOM 0 H GLY A 58 -7.323 18.689 -13.188 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.306 19.431 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.019 20.733 -11.878 1.00 0.00 H new ATOM 826 N GLU A 59 -10.127 18.753 -13.615 1.00 0.00 N ATOM 827 CA GLU A 59 -11.218 17.922 -14.110 1.00 0.00 C ATOM 828 C GLU A 59 -10.679 16.685 -14.824 1.00 0.00 C ATOM 829 O GLU A 59 -10.044 16.789 -15.874 1.00 0.00 O ATOM 830 CB GLU A 59 -12.111 18.724 -15.059 1.00 0.00 C ATOM 831 CG GLU A 59 -12.735 19.951 -14.416 1.00 0.00 C ATOM 832 CD GLU A 59 -11.703 20.986 -14.011 1.00 0.00 C ATOM 833 OE1 GLU A 59 -10.843 21.327 -14.850 1.00 0.00 O ATOM 834 OE2 GLU A 59 -11.757 21.456 -12.855 1.00 0.00 O ATOM 0 H GLU A 59 -9.638 19.282 -14.337 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.810 17.598 -13.254 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.522 19.036 -15.922 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.904 18.076 -15.432 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.442 20.402 -15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.303 19.647 -13.537 1.00 0.00 H new ATOM 841 N SER A 60 -10.937 15.516 -14.247 1.00 0.00 N ATOM 842 CA SER A 60 -10.475 14.260 -14.825 1.00 0.00 C ATOM 843 C SER A 60 -10.981 14.101 -16.255 1.00 0.00 C ATOM 844 O SER A 60 -11.870 14.830 -16.695 1.00 0.00 O ATOM 845 CB SER A 60 -10.943 13.079 -13.972 1.00 0.00 C ATOM 846 OG SER A 60 -10.860 13.383 -12.591 1.00 0.00 O ATOM 0 H SER A 60 -11.464 15.413 -13.380 1.00 0.00 H new ATOM 0 HA SER A 60 -9.385 14.277 -14.844 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.971 12.825 -14.230 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.333 12.203 -14.192 1.00 0.00 H new ATOM 0 HG SER A 60 -9.978 13.125 -12.252 1.00 0.00 H new ATOM 852 N SER A 61 -10.407 13.144 -16.977 1.00 0.00 N ATOM 853 CA SER A 61 -10.796 12.891 -18.359 1.00 0.00 C ATOM 854 C SER A 61 -10.069 11.669 -18.913 1.00 0.00 C ATOM 855 O SER A 61 -9.142 11.148 -18.291 1.00 0.00 O ATOM 856 CB SER A 61 -10.496 14.114 -19.227 1.00 0.00 C ATOM 857 OG SER A 61 -11.120 14.005 -20.495 1.00 0.00 O ATOM 0 H SER A 61 -9.671 12.531 -16.627 1.00 0.00 H new ATOM 0 HA SER A 61 -11.868 12.694 -18.379 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.844 15.016 -18.723 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.419 14.217 -19.356 1.00 0.00 H new ATOM 0 HG SER A 61 -12.092 14.062 -20.387 1.00 0.00 H new ATOM 863 N CYS A 62 -10.495 11.217 -20.088 1.00 0.00 N ATOM 864 CA CYS A 62 -9.887 10.057 -20.728 1.00 0.00 C ATOM 865 C CYS A 62 -8.437 10.343 -21.106 1.00 0.00 C ATOM 866 O CYS A 62 -8.141 11.233 -21.904 1.00 0.00 O ATOM 867 CB CYS A 62 -10.682 9.661 -21.973 1.00 0.00 C ATOM 868 SG CYS A 62 -10.162 8.080 -22.716 1.00 0.00 S ATOM 0 H CYS A 62 -11.260 11.637 -20.616 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.902 9.231 -20.017 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -11.738 9.597 -21.711 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -10.585 10.450 -22.719 1.00 0.00 H new ATOM 0 HG CYS A 62 -11.211 7.415 -23.100 1.00 0.00 H new ATOM 873 N PRO A 63 -7.509 9.571 -20.521 1.00 0.00 N ATOM 874 CA PRO A 63 -6.075 9.721 -20.782 1.00 0.00 C ATOM 875 C PRO A 63 -5.692 9.282 -22.191 1.00 0.00 C ATOM 876 O PRO A 63 -4.515 9.265 -22.549 1.00 0.00 O ATOM 877 CB PRO A 63 -5.427 8.803 -19.742 1.00 0.00 C ATOM 878 CG PRO A 63 -6.469 7.784 -19.435 1.00 0.00 C ATOM 879 CD PRO A 63 -7.790 8.491 -19.560 1.00 0.00 C ATOM 0 HA PRO A 63 -5.755 10.761 -20.712 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.522 8.338 -20.133 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.140 9.357 -18.849 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.409 6.944 -20.127 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.336 7.380 -18.431 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.571 7.823 -19.923 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.128 8.884 -18.601 1.00 0.00 H new ATOM 887 N VAL A 64 -6.695 8.926 -22.988 1.00 0.00 N ATOM 888 CA VAL A 64 -6.464 8.488 -24.359 1.00 0.00 C ATOM 889 C VAL A 64 -7.033 9.488 -25.359 1.00 0.00 C ATOM 890 O VAL A 64 -6.321 9.983 -26.233 1.00 0.00 O ATOM 891 CB VAL A 64 -7.091 7.105 -24.620 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.179 6.832 -26.114 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.293 6.018 -23.916 1.00 0.00 C ATOM 0 H VAL A 64 -7.676 8.933 -22.707 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.384 8.420 -24.491 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.103 7.101 -24.215 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.624 5.851 -26.279 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.797 7.595 -26.588 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.179 6.854 -26.547 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.750 5.048 -24.111 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.269 6.019 -24.289 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.288 6.208 -22.843 1.00 0.00 H new ATOM 903 N CYS A 65 -8.322 9.784 -25.224 1.00 0.00 N ATOM 904 CA CYS A 65 -8.988 10.726 -26.115 1.00 0.00 C ATOM 905 C CYS A 65 -9.331 12.019 -25.381 1.00 0.00 C ATOM 906 O CYS A 65 -9.672 13.026 -26.003 1.00 0.00 O ATOM 907 CB CYS A 65 -10.260 10.102 -26.692 1.00 0.00 C ATOM 908 SG CYS A 65 -11.581 9.837 -25.466 1.00 0.00 S ATOM 0 H CYS A 65 -8.926 9.385 -24.506 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.304 10.962 -26.931 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.640 10.745 -27.486 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.007 9.146 -27.150 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.117 9.139 -24.472 1.00 0.00 H new ATOM 913 N ARG A 66 -9.237 11.984 -24.056 1.00 0.00 N ATOM 914 CA ARG A 66 -9.537 13.152 -23.238 1.00 0.00 C ATOM 915 C ARG A 66 -10.880 13.760 -23.631 1.00 0.00 C ATOM 916 O ARG A 66 -11.009 14.979 -23.753 1.00 0.00 O ATOM 917 CB ARG A 66 -8.430 14.199 -23.379 1.00 0.00 C ATOM 918 CG ARG A 66 -7.057 13.691 -22.973 1.00 0.00 C ATOM 919 CD ARG A 66 -6.780 13.949 -21.500 1.00 0.00 C ATOM 920 NE ARG A 66 -6.470 15.352 -21.239 1.00 0.00 N ATOM 921 CZ ARG A 66 -5.256 15.874 -21.375 1.00 0.00 C ATOM 922 NH1 ARG A 66 -4.244 15.113 -21.768 1.00 0.00 N ATOM 923 NH2 ARG A 66 -5.053 17.160 -21.119 1.00 0.00 N ATOM 0 H ARG A 66 -8.955 11.159 -23.526 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.593 12.831 -22.198 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.391 14.538 -24.414 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.682 15.067 -22.769 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.989 12.622 -23.175 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.294 14.179 -23.579 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.648 13.654 -20.911 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.947 13.327 -21.173 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.227 15.965 -20.936 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.397 14.124 -21.967 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.313 15.516 -21.872 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.829 17.749 -20.817 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.120 17.560 -21.224 1.00 0.00 H new ATOM 937 N ILE A 67 -11.877 12.904 -23.828 1.00 0.00 N ATOM 938 CA ILE A 67 -13.209 13.357 -24.206 1.00 0.00 C ATOM 939 C ILE A 67 -13.922 14.014 -23.029 1.00 0.00 C ATOM 940 O ILE A 67 -13.476 13.914 -21.886 1.00 0.00 O ATOM 941 CB ILE A 67 -14.073 12.194 -24.729 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.344 12.730 -25.389 1.00 0.00 C ATOM 943 CG2 ILE A 67 -14.419 11.240 -23.595 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.022 11.728 -26.297 1.00 0.00 C ATOM 0 H ILE A 67 -11.787 11.893 -23.732 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.077 14.089 -25.003 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.502 11.645 -25.478 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.045 13.037 -24.613 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.096 13.621 -25.966 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.030 10.423 -23.980 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.502 10.836 -23.167 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -14.974 11.776 -22.825 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -16.916 12.176 -26.730 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.338 11.439 -27.095 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.301 10.846 -25.721 1.00 0.00 H new ATOM 956 N SER A 68 -15.032 14.686 -23.316 1.00 0.00 N ATOM 957 CA SER A 68 -15.806 15.361 -22.281 1.00 0.00 C ATOM 958 C SER A 68 -16.893 14.444 -21.729 1.00 0.00 C ATOM 959 O SER A 68 -17.961 14.300 -22.324 1.00 0.00 O ATOM 960 CB SER A 68 -16.437 16.639 -22.838 1.00 0.00 C ATOM 961 OG SER A 68 -15.472 17.668 -22.971 1.00 0.00 O ATOM 0 H SER A 68 -15.416 14.778 -24.257 1.00 0.00 H new ATOM 0 HA SER A 68 -15.128 15.622 -21.468 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.889 16.432 -23.808 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.238 16.971 -22.177 1.00 0.00 H new ATOM 0 HG SER A 68 -15.900 18.473 -23.330 1.00 0.00 H new ATOM 967 N TYR A 69 -16.612 13.826 -20.587 1.00 0.00 N ATOM 968 CA TYR A 69 -17.563 12.920 -19.954 1.00 0.00 C ATOM 969 C TYR A 69 -17.382 12.911 -18.439 1.00 0.00 C ATOM 970 O TYR A 69 -16.317 12.559 -17.933 1.00 0.00 O ATOM 971 CB TYR A 69 -17.395 11.503 -20.507 1.00 0.00 C ATOM 972 CG TYR A 69 -16.195 10.773 -19.949 1.00 0.00 C ATOM 973 CD1 TYR A 69 -14.912 11.283 -20.105 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.344 9.573 -19.264 1.00 0.00 C ATOM 975 CE1 TYR A 69 -13.812 10.619 -19.597 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.250 8.903 -18.751 1.00 0.00 C ATOM 977 CZ TYR A 69 -13.986 9.430 -18.921 1.00 0.00 C ATOM 978 OH TYR A 69 -12.894 8.766 -18.412 1.00 0.00 O ATOM 0 H TYR A 69 -15.733 13.936 -20.081 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.569 13.275 -20.179 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.294 10.927 -20.287 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.306 11.554 -21.592 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -14.772 12.215 -20.633 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.332 9.157 -19.130 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.822 11.029 -19.729 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.383 7.972 -18.220 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.193 8.089 -17.770 1.00 0.00 H new ATOM 988 N GLN A 70 -18.431 13.300 -17.723 1.00 0.00 N ATOM 989 CA GLN A 70 -18.389 13.338 -16.266 1.00 0.00 C ATOM 990 C GLN A 70 -18.190 11.939 -15.691 1.00 0.00 C ATOM 991 O GLN A 70 -19.070 11.081 -15.763 1.00 0.00 O ATOM 992 CB GLN A 70 -19.676 13.951 -15.712 1.00 0.00 C ATOM 993 CG GLN A 70 -19.863 15.413 -16.085 1.00 0.00 C ATOM 994 CD GLN A 70 -21.320 15.831 -16.099 1.00 0.00 C ATOM 995 OE1 GLN A 70 -22.104 15.422 -15.242 1.00 0.00 O ATOM 996 NE2 GLN A 70 -21.692 16.650 -17.076 1.00 0.00 N ATOM 0 H GLN A 70 -19.320 13.593 -18.127 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.543 13.958 -15.969 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.528 13.379 -16.079 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.674 13.859 -14.626 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -19.317 16.037 -15.377 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.429 15.591 -17.069 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -21.009 16.965 -17.765 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -22.660 16.964 -17.137 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.007 11.702 -15.105 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.665 10.409 -14.506 1.00 0.00 C ATOM 1007 C PRO A 71 -17.460 10.130 -13.235 1.00 0.00 C ATOM 1008 O PRO A 71 -17.270 9.102 -12.587 1.00 0.00 O ATOM 1009 CB PRO A 71 -15.175 10.550 -14.185 1.00 0.00 C ATOM 1010 CG PRO A 71 -14.958 12.015 -14.028 1.00 0.00 C ATOM 1011 CD PRO A 71 -15.912 12.679 -14.983 1.00 0.00 C ATOM 0 HA PRO A 71 -16.895 9.578 -15.172 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.914 10.011 -13.274 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.557 10.142 -14.985 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.150 12.330 -13.002 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.927 12.284 -14.257 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.267 13.635 -14.597 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.443 12.879 -15.946 1.00 0.00 H new ATOM 1019 N GLU A 72 -18.350 11.053 -12.886 1.00 0.00 N ATOM 1020 CA GLU A 72 -19.174 10.905 -11.691 1.00 0.00 C ATOM 1021 C GLU A 72 -20.215 9.806 -11.881 1.00 0.00 C ATOM 1022 O GLU A 72 -20.444 8.992 -10.988 1.00 0.00 O ATOM 1023 CB GLU A 72 -19.867 12.228 -11.355 1.00 0.00 C ATOM 1024 CG GLU A 72 -20.386 12.298 -9.929 1.00 0.00 C ATOM 1025 CD GLU A 72 -19.277 12.207 -8.899 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -18.426 13.120 -8.861 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -19.261 11.223 -8.131 1.00 0.00 O ATOM 0 H GLU A 72 -18.519 11.910 -13.412 1.00 0.00 H new ATOM 0 HA GLU A 72 -18.522 10.625 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.167 13.047 -11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.699 12.378 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.930 13.232 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.097 11.488 -9.765 1.00 0.00 H new ATOM 1034 N ASN A 73 -20.845 9.791 -13.052 1.00 0.00 N ATOM 1035 CA ASN A 73 -21.863 8.794 -13.359 1.00 0.00 C ATOM 1036 C ASN A 73 -21.317 7.735 -14.312 1.00 0.00 C ATOM 1037 O ASN A 73 -21.810 7.578 -15.430 1.00 0.00 O ATOM 1038 CB ASN A 73 -23.093 9.464 -13.974 1.00 0.00 C ATOM 1039 CG ASN A 73 -23.867 10.291 -12.965 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -24.502 9.750 -12.060 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.816 11.609 -13.118 1.00 0.00 N ATOM 0 H ASN A 73 -20.668 10.458 -13.803 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.151 8.306 -12.428 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.780 10.103 -14.800 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.748 8.700 -14.392 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.316 12.217 -12.470 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.276 12.013 -13.883 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.298 7.011 -13.862 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.686 5.966 -14.674 1.00 0.00 C ATOM 1050 C ILE A 74 -20.196 4.587 -14.270 1.00 0.00 C ATOM 1051 O ILE A 74 -20.470 4.335 -13.097 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.151 5.988 -14.557 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -17.605 7.356 -14.972 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.539 4.886 -15.408 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.844 7.684 -16.429 1.00 0.00 C ATOM 0 H ILE A 74 -19.879 7.129 -12.940 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.966 6.166 -15.708 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.878 5.810 -13.517 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.067 8.126 -14.354 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.534 7.387 -14.772 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.453 4.915 -15.315 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.907 3.918 -15.069 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.818 5.035 -16.451 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.431 8.668 -16.653 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.358 6.935 -17.055 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -18.915 7.686 -16.631 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.320 3.698 -15.250 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.796 2.343 -14.997 1.00 0.00 C ATOM 1069 C ARG A 75 -20.067 1.336 -15.881 1.00 0.00 C ATOM 1070 O ARG A 75 -19.851 1.560 -17.072 1.00 0.00 O ATOM 1071 CB ARG A 75 -22.304 2.256 -15.243 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.678 2.195 -16.715 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.110 2.652 -16.944 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.301 3.203 -18.283 1.00 0.00 N ATOM 1075 CZ ARG A 75 -25.350 3.940 -18.632 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -26.296 4.213 -17.745 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -25.452 4.406 -19.870 1.00 0.00 N ATOM 0 H ARG A 75 -20.098 3.891 -16.226 1.00 0.00 H new ATOM 0 HA ARG A 75 -20.589 2.101 -13.954 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -22.695 1.371 -14.740 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.788 3.121 -14.789 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -21.998 2.823 -17.291 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.557 1.175 -17.081 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.787 1.810 -16.798 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.373 3.405 -16.201 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.590 3.012 -18.989 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.220 3.857 -16.792 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.100 4.779 -18.015 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -24.725 4.199 -20.555 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.258 4.972 -20.137 1.00 0.00 H new