USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 720 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 66 ASN : amide:sc= -0.11 K(o=-0.21,f=-4.7!) USER MOD Set 1.2: A 67 CYS SG : rot -44:sc= -0.137 USER MOD Set 1.3: A 70 CYS SG : rot -15:sc= 1.67 USER MOD Set 1.4: A 71 SER OG : rot 64:sc= -0.064 USER MOD Set 1.5: A 84 HIS : no HE2:sc= -1.63 K(o=-0.21,f=0.85) USER MOD Set 1.6: A 101 CYS SG : rot 81:sc= 0.0625 USER MOD Set 2.1: A 68 SER OG : rot -170:sc= 0.312 USER MOD Set 2.2: A 78 ASN : amide:sc= 0.3 X(o=0.61,f=1) USER MOD Single : A 18 GLN : amide:sc= -1.87! X(o=-1.9!,f=-1.9) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.98! K(o=-2!,f=0) USER MOD Single : A 24 MET CE :methyl -144:sc= -0.0908 (180deg=-1.02) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= 1.09 (180deg=0.418) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.07) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 35 GLN : amide:sc= 0.265 K(o=0.26,f=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ -141:sc= 0.437 (180deg=-0.306) USER MOD Single : A 41 ASN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.23) USER MOD Single : A 49 MET CE :methyl -161:sc= -0.185 (180deg=-1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 82:sc= 0.238 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -15:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.8!) USER MOD Single : A 64 SER OG : rot 165:sc= 1.28 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 1.56 (180deg=-0.307) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0287 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 CYS SG : rot -45:sc= -0.387 USER MOD Single : A 77 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.27) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc=-0.00296 X(o=-0.003,f=0) USER MOD Single : A 93 SER OG : rot 9:sc= 0.937 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -178:sc= 0.997 (180deg=0.961) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -19.917 4.675 6.314 1.00 0.00 N ATOM 226 CA ASP A 16 -20.744 5.313 5.291 1.00 0.00 C ATOM 227 C ASP A 16 -19.943 6.348 4.513 1.00 0.00 C ATOM 228 O ASP A 16 -20.222 6.609 3.343 1.00 0.00 O ATOM 229 CB ASP A 16 -21.971 5.987 5.912 1.00 0.00 C ATOM 230 CG ASP A 16 -22.914 5.008 6.580 1.00 0.00 C ATOM 231 OD1 ASP A 16 -23.455 4.126 5.887 1.00 0.00 O ATOM 232 OD2 ASP A 16 -23.121 5.126 7.807 1.00 0.00 O ATOM 0 HA ASP A 16 -21.077 4.530 4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.641 6.723 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.511 6.530 5.136 1.00 0.00 H new ATOM 237 N PHE A 17 -18.944 6.924 5.172 1.00 0.00 N ATOM 238 CA PHE A 17 -18.094 7.933 4.558 1.00 0.00 C ATOM 239 C PHE A 17 -17.454 7.415 3.274 1.00 0.00 C ATOM 240 O PHE A 17 -17.535 8.062 2.233 1.00 0.00 O ATOM 241 CB PHE A 17 -17.011 8.392 5.541 1.00 0.00 C ATOM 242 CG PHE A 17 -16.078 9.421 4.966 1.00 0.00 C ATOM 243 CD1 PHE A 17 -16.463 10.750 4.862 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.816 9.057 4.521 1.00 0.00 C ATOM 245 CE1 PHE A 17 -15.607 11.694 4.328 1.00 0.00 C ATOM 246 CE2 PHE A 17 -13.958 9.997 3.984 1.00 0.00 C ATOM 247 CZ PHE A 17 -14.353 11.315 3.888 1.00 0.00 C ATOM 0 H PHE A 17 -18.703 6.706 6.139 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.723 8.785 4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.489 8.803 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.432 7.526 5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.443 11.050 5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.500 8.027 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -15.917 12.726 4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.978 9.700 3.640 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.682 12.051 3.469 1.00 0.00 H new ATOM 257 N GLN A 18 -16.836 6.242 3.339 1.00 0.00 N ATOM 258 CA GLN A 18 -16.139 5.701 2.181 1.00 0.00 C ATOM 259 C GLN A 18 -17.140 5.258 1.126 1.00 0.00 C ATOM 260 O GLN A 18 -16.897 5.394 -0.071 1.00 0.00 O ATOM 261 CB GLN A 18 -15.206 4.549 2.590 1.00 0.00 C ATOM 262 CG GLN A 18 -15.906 3.237 2.965 1.00 0.00 C ATOM 263 CD GLN A 18 -16.160 2.296 1.789 1.00 0.00 C ATOM 264 OE1 GLN A 18 -17.131 1.538 1.794 1.00 0.00 O ATOM 265 NE2 GLN A 18 -15.287 2.301 0.791 1.00 0.00 N ATOM 0 H GLN A 18 -16.803 5.654 4.172 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.517 6.485 1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.518 4.352 1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.604 4.875 3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.301 2.716 3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.859 3.471 3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.492 2.939 0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.411 1.667 0.002 1.00 0.00 H new ATOM 274 N LYS A 19 -18.283 4.760 1.585 1.00 0.00 N ATOM 275 CA LYS A 19 -19.324 4.283 0.693 1.00 0.00 C ATOM 276 C LYS A 19 -19.849 5.415 -0.178 1.00 0.00 C ATOM 277 O LYS A 19 -19.961 5.272 -1.397 1.00 0.00 O ATOM 278 CB LYS A 19 -20.463 3.668 1.503 1.00 0.00 C ATOM 279 CG LYS A 19 -20.037 2.463 2.319 1.00 0.00 C ATOM 280 CD LYS A 19 -21.206 1.836 3.059 1.00 0.00 C ATOM 281 CE LYS A 19 -22.193 1.194 2.100 1.00 0.00 C ATOM 282 NZ LYS A 19 -23.328 0.557 2.813 1.00 0.00 N ATOM 0 H LYS A 19 -18.509 4.678 2.576 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.898 3.520 0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.873 4.424 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.264 3.374 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.584 1.721 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.272 2.762 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.835 1.086 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.714 2.598 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.575 1.949 1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.678 0.446 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.977 0.131 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.967 -0.182 3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.836 1.275 3.368 1.00 0.00 H new ATOM 296 N ARG A 20 -20.149 6.548 0.445 1.00 0.00 N ATOM 297 CA ARG A 20 -20.637 7.703 -0.291 1.00 0.00 C ATOM 298 C ARG A 20 -19.513 8.338 -1.095 1.00 0.00 C ATOM 299 O ARG A 20 -19.744 8.872 -2.173 1.00 0.00 O ATOM 300 CB ARG A 20 -21.261 8.748 0.638 1.00 0.00 C ATOM 301 CG ARG A 20 -20.285 9.357 1.628 1.00 0.00 C ATOM 302 CD ARG A 20 -20.799 10.677 2.164 1.00 0.00 C ATOM 303 NE ARG A 20 -20.855 11.702 1.119 1.00 0.00 N ATOM 304 CZ ARG A 20 -21.289 12.947 1.318 1.00 0.00 C ATOM 305 NH1 ARG A 20 -21.642 13.352 2.534 1.00 0.00 N ATOM 306 NH2 ARG A 20 -21.331 13.798 0.297 1.00 0.00 N ATOM 0 H ARG A 20 -20.063 6.690 1.451 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.412 7.348 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.693 9.545 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.080 8.286 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.122 8.665 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.320 9.509 1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.793 10.535 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.153 11.017 2.973 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.543 11.448 0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.582 12.709 3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.973 14.306 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.032 13.497 -0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.662 14.752 0.442 1.00 0.00 H new ATOM 320 N LEU A 21 -18.294 8.264 -0.568 1.00 0.00 N ATOM 321 CA LEU A 21 -17.140 8.863 -1.220 1.00 0.00 C ATOM 322 C LEU A 21 -16.849 8.186 -2.553 1.00 0.00 C ATOM 323 O LEU A 21 -16.726 8.855 -3.572 1.00 0.00 O ATOM 324 CB LEU A 21 -15.918 8.767 -0.305 1.00 0.00 C ATOM 325 CG LEU A 21 -14.583 9.112 -0.963 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.561 10.566 -1.412 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.432 8.826 -0.011 1.00 0.00 C ATOM 0 H LEU A 21 -18.082 7.793 0.312 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.364 9.912 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.068 9.432 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.859 7.753 0.090 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.464 8.484 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.601 10.789 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.361 10.737 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.705 11.216 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.488 9.077 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.548 9.427 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.433 7.769 0.254 1.00 0.00 H new ATOM 339 N GLU A 22 -16.777 6.863 -2.543 1.00 0.00 N ATOM 340 CA GLU A 22 -16.550 6.100 -3.766 1.00 0.00 C ATOM 341 C GLU A 22 -17.750 6.226 -4.699 1.00 0.00 C ATOM 342 O GLU A 22 -17.617 6.173 -5.923 1.00 0.00 O ATOM 343 CB GLU A 22 -16.302 4.627 -3.436 1.00 0.00 C ATOM 344 CG GLU A 22 -15.111 4.390 -2.517 1.00 0.00 C ATOM 345 CD GLU A 22 -13.798 4.853 -3.117 1.00 0.00 C ATOM 346 OE1 GLU A 22 -13.333 4.227 -4.092 1.00 0.00 O ATOM 347 OE2 GLU A 22 -13.215 5.832 -2.598 1.00 0.00 O ATOM 0 H GLU A 22 -16.872 6.293 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.669 6.504 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.196 4.214 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.146 4.078 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.277 4.911 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.044 3.327 -2.286 1.00 0.00 H new ATOM 354 N GLN A 23 -18.921 6.403 -4.100 1.00 0.00 N ATOM 355 CA GLN A 23 -20.165 6.540 -4.843 1.00 0.00 C ATOM 356 C GLN A 23 -20.176 7.848 -5.631 1.00 0.00 C ATOM 357 O GLN A 23 -20.362 7.854 -6.849 1.00 0.00 O ATOM 358 CB GLN A 23 -21.336 6.493 -3.860 1.00 0.00 C ATOM 359 CG GLN A 23 -22.703 6.342 -4.500 1.00 0.00 C ATOM 360 CD GLN A 23 -23.762 5.921 -3.492 1.00 0.00 C ATOM 361 OE1 GLN A 23 -24.740 5.257 -3.840 1.00 0.00 O ATOM 362 NE2 GLN A 23 -23.560 6.274 -2.228 1.00 0.00 N ATOM 0 H GLN A 23 -19.034 6.455 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.257 5.721 -5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.180 5.663 -3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.329 7.406 -3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -22.995 7.287 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.649 5.603 -5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.739 6.824 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.226 5.995 -1.508 1.00 0.00 H new ATOM 371 N MET A 24 -19.958 8.953 -4.928 1.00 0.00 N ATOM 372 CA MET A 24 -19.931 10.268 -5.562 1.00 0.00 C ATOM 373 C MET A 24 -18.712 10.416 -6.465 1.00 0.00 C ATOM 374 O MET A 24 -18.780 11.065 -7.505 1.00 0.00 O ATOM 375 CB MET A 24 -19.952 11.388 -4.514 1.00 0.00 C ATOM 376 CG MET A 24 -18.780 11.375 -3.549 1.00 0.00 C ATOM 377 SD MET A 24 -18.938 12.618 -2.248 1.00 0.00 S ATOM 378 CE MET A 24 -18.934 14.125 -3.216 1.00 0.00 C ATOM 0 H MET A 24 -19.798 8.966 -3.921 1.00 0.00 H new ATOM 0 HA MET A 24 -20.828 10.354 -6.175 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.971 12.349 -5.029 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.877 11.315 -3.942 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.699 10.387 -3.095 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.857 11.548 -4.102 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.406 14.907 -2.670 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.433 13.945 -4.167 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.961 14.442 -3.401 1.00 0.00 H new ATOM 388 N LYS A 25 -17.605 9.808 -6.059 1.00 0.00 N ATOM 389 CA LYS A 25 -16.370 9.833 -6.836 1.00 0.00 C ATOM 390 C LYS A 25 -16.614 9.283 -8.233 1.00 0.00 C ATOM 391 O LYS A 25 -16.288 9.918 -9.237 1.00 0.00 O ATOM 392 CB LYS A 25 -15.302 8.985 -6.143 1.00 0.00 C ATOM 393 CG LYS A 25 -13.884 9.474 -6.365 1.00 0.00 C ATOM 394 CD LYS A 25 -13.656 10.793 -5.649 1.00 0.00 C ATOM 395 CE LYS A 25 -12.198 11.211 -5.685 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.312 10.157 -5.121 1.00 0.00 N ATOM 0 H LYS A 25 -17.536 9.285 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.029 10.865 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.506 8.967 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.381 7.958 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.176 8.729 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.699 9.596 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.267 11.568 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.983 10.705 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.905 11.422 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.070 12.135 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.443 10.594 -4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.805 9.665 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.068 9.474 -5.866 1.00 0.00 H new ATOM 410 N GLU A 26 -17.208 8.101 -8.276 1.00 0.00 N ATOM 411 CA GLU A 26 -17.499 7.420 -9.523 1.00 0.00 C ATOM 412 C GLU A 26 -18.527 8.204 -10.338 1.00 0.00 C ATOM 413 O GLU A 26 -18.441 8.262 -11.561 1.00 0.00 O ATOM 414 CB GLU A 26 -18.002 6.009 -9.225 1.00 0.00 C ATOM 415 CG GLU A 26 -18.237 5.163 -10.461 1.00 0.00 C ATOM 416 CD GLU A 26 -18.630 3.742 -10.119 1.00 0.00 C ATOM 417 OE1 GLU A 26 -19.697 3.548 -9.503 1.00 0.00 O ATOM 418 OE2 GLU A 26 -17.865 2.813 -10.453 1.00 0.00 O ATOM 0 H GLU A 26 -17.502 7.588 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.587 7.353 -10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.279 5.504 -8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.933 6.078 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.021 5.618 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.332 5.151 -11.068 1.00 0.00 H new ATOM 425 N LYS A 27 -19.484 8.819 -9.648 1.00 0.00 N ATOM 426 CA LYS A 27 -20.503 9.631 -10.309 1.00 0.00 C ATOM 427 C LYS A 27 -19.892 10.834 -11.022 1.00 0.00 C ATOM 428 O LYS A 27 -20.353 11.221 -12.095 1.00 0.00 O ATOM 429 CB LYS A 27 -21.563 10.093 -9.307 1.00 0.00 C ATOM 430 CG LYS A 27 -22.725 9.120 -9.175 1.00 0.00 C ATOM 431 CD LYS A 27 -23.734 9.566 -8.125 1.00 0.00 C ATOM 432 CE LYS A 27 -24.263 10.973 -8.390 1.00 0.00 C ATOM 433 NZ LYS A 27 -24.962 11.098 -9.699 1.00 0.00 N ATOM 0 H LYS A 27 -19.576 8.771 -8.633 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.979 9.003 -11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.097 10.228 -8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.945 11.066 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -23.225 9.022 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.342 8.134 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.568 8.865 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.268 9.535 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -24.949 11.253 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -23.433 11.679 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.428 12.026 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.271 11.010 -10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.675 10.346 -9.785 1.00 0.00 H new ATOM 447 N VAL A 28 -18.859 11.421 -10.433 1.00 0.00 N ATOM 448 CA VAL A 28 -18.164 12.535 -11.060 1.00 0.00 C ATOM 449 C VAL A 28 -17.371 12.036 -12.262 1.00 0.00 C ATOM 450 O VAL A 28 -17.334 12.677 -13.311 1.00 0.00 O ATOM 451 CB VAL A 28 -17.222 13.254 -10.067 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.474 14.386 -10.751 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.002 13.783 -8.874 1.00 0.00 C ATOM 0 H VAL A 28 -18.485 11.145 -9.525 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.913 13.256 -11.387 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.492 12.527 -9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.818 14.876 -10.031 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.878 13.985 -11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.189 15.110 -11.142 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.320 14.285 -8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.757 14.490 -9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.488 12.954 -8.360 1.00 0.00 H new ATOM 463 N MET A 29 -16.780 10.856 -12.117 1.00 0.00 N ATOM 464 CA MET A 29 -16.010 10.243 -13.195 1.00 0.00 C ATOM 465 C MET A 29 -16.932 9.625 -14.245 1.00 0.00 C ATOM 466 O MET A 29 -16.475 8.981 -15.189 1.00 0.00 O ATOM 467 CB MET A 29 -15.070 9.170 -12.637 1.00 0.00 C ATOM 468 CG MET A 29 -14.031 9.704 -11.664 1.00 0.00 C ATOM 469 SD MET A 29 -12.946 10.938 -12.407 1.00 0.00 S ATOM 470 CE MET A 29 -11.859 11.296 -11.032 1.00 0.00 C ATOM 0 H MET A 29 -16.819 10.302 -11.261 1.00 0.00 H new ATOM 0 HA MET A 29 -15.419 11.026 -13.670 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.664 8.406 -12.135 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.559 8.682 -13.467 1.00 0.00 H new ATOM 0 HG2 MET A 29 -14.537 10.143 -10.804 1.00 0.00 H new ATOM 0 HG3 MET A 29 -13.429 8.875 -11.291 1.00 0.00 H new ATOM 0 HE1 MET A 29 -11.127 12.045 -11.333 1.00 0.00 H new ATOM 0 HE2 MET A 29 -12.444 11.676 -10.195 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.342 10.385 -10.730 1.00 0.00 H new ATOM 480 N LYS A 30 -18.231 9.832 -14.077 1.00 0.00 N ATOM 481 CA LYS A 30 -19.223 9.298 -14.997 1.00 0.00 C ATOM 482 C LYS A 30 -19.713 10.380 -15.951 1.00 0.00 C ATOM 483 O LYS A 30 -20.361 10.088 -16.959 1.00 0.00 O ATOM 484 CB LYS A 30 -20.422 8.753 -14.215 1.00 0.00 C ATOM 485 CG LYS A 30 -20.700 7.273 -14.416 1.00 0.00 C ATOM 486 CD LYS A 30 -19.594 6.405 -13.842 1.00 0.00 C ATOM 487 CE LYS A 30 -20.132 5.061 -13.370 1.00 0.00 C ATOM 488 NZ LYS A 30 -20.673 4.237 -14.483 1.00 0.00 N ATOM 0 H LYS A 30 -18.624 10.371 -13.305 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.755 8.498 -15.570 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.257 8.936 -13.153 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.310 9.316 -14.501 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.647 7.014 -13.943 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.809 7.065 -15.481 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.825 6.246 -14.598 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -19.119 6.922 -13.008 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.335 4.511 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -20.917 5.227 -12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -21.026 3.334 -14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.452 4.747 -14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -19.920 4.053 -15.176 1.00 0.00 H new ATOM 502 N ASP A 31 -19.405 11.626 -15.630 1.00 0.00 N ATOM 503 CA ASP A 31 -19.960 12.751 -16.365 1.00 0.00 C ATOM 504 C ASP A 31 -19.142 13.080 -17.600 1.00 0.00 C ATOM 505 O ASP A 31 -17.913 13.025 -17.585 1.00 0.00 O ATOM 506 CB ASP A 31 -20.061 13.980 -15.477 1.00 0.00 C ATOM 507 CG ASP A 31 -20.641 15.158 -16.225 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.802 15.067 -16.676 1.00 0.00 O ATOM 509 OD2 ASP A 31 -19.936 16.175 -16.384 1.00 0.00 O ATOM 0 H ASP A 31 -18.777 11.883 -14.869 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.959 12.457 -16.688 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.684 13.755 -14.612 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.072 14.239 -15.099 1.00 0.00 H new ATOM 514 N GLN A 32 -19.849 13.455 -18.656 1.00 0.00 N ATOM 515 CA GLN A 32 -19.239 13.733 -19.950 1.00 0.00 C ATOM 516 C GLN A 32 -18.461 15.045 -19.930 1.00 0.00 C ATOM 517 O GLN A 32 -17.340 15.118 -20.437 1.00 0.00 O ATOM 518 CB GLN A 32 -20.319 13.789 -21.031 1.00 0.00 C ATOM 519 CG GLN A 32 -21.134 12.509 -21.147 1.00 0.00 C ATOM 520 CD GLN A 32 -22.315 12.650 -22.091 1.00 0.00 C ATOM 521 OE1 GLN A 32 -22.274 13.413 -23.052 1.00 0.00 O ATOM 522 NE2 GLN A 32 -23.370 11.892 -21.829 1.00 0.00 N ATOM 0 H GLN A 32 -20.862 13.575 -18.641 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.538 12.928 -20.171 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.992 14.620 -20.818 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.849 13.998 -21.992 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -20.489 11.703 -21.496 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.496 12.223 -20.159 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -23.364 11.271 -21.020 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -24.188 11.929 -22.437 1.00 0.00 H new ATOM 531 N ASP A 33 -19.053 16.079 -19.338 1.00 0.00 N ATOM 532 CA ASP A 33 -18.417 17.392 -19.294 1.00 0.00 C ATOM 533 C ASP A 33 -17.187 17.345 -18.409 1.00 0.00 C ATOM 534 O ASP A 33 -16.170 17.969 -18.713 1.00 0.00 O ATOM 535 CB ASP A 33 -19.376 18.462 -18.773 1.00 0.00 C ATOM 536 CG ASP A 33 -20.613 18.616 -19.630 1.00 0.00 C ATOM 537 OD1 ASP A 33 -20.479 18.955 -20.824 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.724 18.405 -19.100 1.00 0.00 O ATOM 0 H ASP A 33 -19.966 16.034 -18.885 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.130 17.654 -20.312 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.675 18.210 -17.756 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.854 19.417 -18.724 1.00 0.00 H new ATOM 543 N VAL A 34 -17.291 16.603 -17.311 1.00 0.00 N ATOM 544 CA VAL A 34 -16.162 16.380 -16.420 1.00 0.00 C ATOM 545 C VAL A 34 -14.957 15.836 -17.192 1.00 0.00 C ATOM 546 O VAL A 34 -13.847 16.339 -17.042 1.00 0.00 O ATOM 547 CB VAL A 34 -16.545 15.424 -15.263 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.317 14.948 -14.496 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.515 16.116 -14.313 1.00 0.00 C ATOM 0 H VAL A 34 -18.153 16.144 -17.017 1.00 0.00 H new ATOM 0 HA VAL A 34 -15.885 17.341 -15.987 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.025 14.549 -15.701 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.626 14.280 -13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.649 14.416 -15.173 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.797 15.807 -14.073 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.778 15.436 -13.503 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.045 17.008 -13.899 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.416 16.400 -14.856 1.00 0.00 H new ATOM 559 N GLN A 35 -15.186 14.838 -18.047 1.00 0.00 N ATOM 560 CA GLN A 35 -14.104 14.258 -18.851 1.00 0.00 C ATOM 561 C GLN A 35 -13.432 15.327 -19.710 1.00 0.00 C ATOM 562 O GLN A 35 -12.207 15.483 -19.690 1.00 0.00 O ATOM 563 CB GLN A 35 -14.635 13.160 -19.777 1.00 0.00 C ATOM 564 CG GLN A 35 -15.563 12.170 -19.104 1.00 0.00 C ATOM 565 CD GLN A 35 -14.915 11.408 -17.965 1.00 0.00 C ATOM 566 OE1 GLN A 35 -13.714 11.134 -17.978 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.709 11.080 -16.961 1.00 0.00 N ATOM 0 H GLN A 35 -16.102 14.416 -18.201 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.380 13.833 -18.155 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.163 13.627 -20.609 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.789 12.618 -20.200 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.435 12.703 -18.724 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.923 11.459 -19.848 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.698 11.327 -16.991 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.333 10.580 -16.155 1.00 0.00 H new ATOM 576 N ALA A 36 -14.248 16.058 -20.462 1.00 0.00 N ATOM 577 CA ALA A 36 -13.750 17.071 -21.387 1.00 0.00 C ATOM 578 C ALA A 36 -13.027 18.193 -20.651 1.00 0.00 C ATOM 579 O ALA A 36 -11.990 18.677 -21.101 1.00 0.00 O ATOM 580 CB ALA A 36 -14.892 17.635 -22.221 1.00 0.00 C ATOM 0 H ALA A 36 -15.264 15.967 -20.449 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.031 16.590 -22.050 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.504 18.389 -22.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.357 16.831 -22.792 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.633 18.089 -21.563 1.00 0.00 H new ATOM 586 N PHE A 37 -13.573 18.599 -19.517 1.00 0.00 N ATOM 587 CA PHE A 37 -12.959 19.640 -18.709 1.00 0.00 C ATOM 588 C PHE A 37 -11.598 19.187 -18.193 1.00 0.00 C ATOM 589 O PHE A 37 -10.640 19.964 -18.168 1.00 0.00 O ATOM 590 CB PHE A 37 -13.871 20.010 -17.542 1.00 0.00 C ATOM 591 CG PHE A 37 -13.276 21.038 -16.626 1.00 0.00 C ATOM 592 CD1 PHE A 37 -13.228 22.369 -16.998 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.769 20.669 -15.393 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.683 23.316 -16.155 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.228 21.613 -14.545 1.00 0.00 C ATOM 596 CZ PHE A 37 -12.184 22.939 -14.927 1.00 0.00 C ATOM 0 H PHE A 37 -14.441 18.223 -19.135 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.814 20.521 -19.334 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.816 20.386 -17.934 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.099 19.111 -16.969 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.621 22.670 -17.958 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.797 19.632 -15.091 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.648 24.352 -16.458 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.839 21.315 -13.583 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.759 23.679 -14.265 1.00 0.00 H new ATOM 606 N LEU A 38 -11.521 17.922 -17.795 1.00 0.00 N ATOM 607 CA LEU A 38 -10.291 17.352 -17.263 1.00 0.00 C ATOM 608 C LEU A 38 -9.177 17.374 -18.298 1.00 0.00 C ATOM 609 O LEU A 38 -8.078 17.836 -18.015 1.00 0.00 O ATOM 610 CB LEU A 38 -10.523 15.915 -16.783 1.00 0.00 C ATOM 611 CG LEU A 38 -10.659 15.739 -15.267 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.385 16.188 -14.566 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.856 16.508 -14.731 1.00 0.00 C ATOM 0 H LEU A 38 -12.303 17.268 -17.832 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.986 17.967 -16.416 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.427 15.533 -17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.695 15.297 -17.130 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.819 14.680 -15.063 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.496 16.057 -13.490 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.545 15.590 -14.919 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.200 17.239 -14.786 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.928 16.365 -13.653 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.734 17.569 -14.949 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.766 16.142 -15.207 1.00 0.00 H new ATOM 625 N LYS A 39 -9.467 16.900 -19.501 1.00 0.00 N ATOM 626 CA LYS A 39 -8.448 16.822 -20.547 1.00 0.00 C ATOM 627 C LYS A 39 -8.008 18.214 -20.978 1.00 0.00 C ATOM 628 O LYS A 39 -6.880 18.417 -21.424 1.00 0.00 O ATOM 629 CB LYS A 39 -8.962 16.042 -21.764 1.00 0.00 C ATOM 630 CG LYS A 39 -10.165 16.683 -22.442 1.00 0.00 C ATOM 631 CD LYS A 39 -10.518 15.996 -23.753 1.00 0.00 C ATOM 632 CE LYS A 39 -9.478 16.268 -24.833 1.00 0.00 C ATOM 633 NZ LYS A 39 -9.453 17.699 -25.249 1.00 0.00 N ATOM 0 H LYS A 39 -10.390 16.566 -19.779 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.591 16.292 -20.130 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.155 15.948 -22.491 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.229 15.033 -21.451 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.023 16.643 -21.770 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.956 17.736 -22.630 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.600 14.921 -23.590 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.494 16.342 -24.093 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.493 15.982 -24.465 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.688 15.643 -25.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.311 17.759 -26.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.356 18.150 -24.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.675 18.188 -24.763 1.00 0.00 H new ATOM 647 N GLU A 40 -8.905 19.168 -20.843 1.00 0.00 N ATOM 648 CA GLU A 40 -8.631 20.527 -21.254 1.00 0.00 C ATOM 649 C GLU A 40 -7.753 21.251 -20.243 1.00 0.00 C ATOM 650 O GLU A 40 -6.921 22.080 -20.609 1.00 0.00 O ATOM 651 CB GLU A 40 -9.949 21.267 -21.449 1.00 0.00 C ATOM 652 CG GLU A 40 -10.201 21.673 -22.890 1.00 0.00 C ATOM 653 CD GLU A 40 -10.066 20.510 -23.858 1.00 0.00 C ATOM 654 OE1 GLU A 40 -11.063 19.803 -24.095 1.00 0.00 O ATOM 655 OE2 GLU A 40 -8.954 20.303 -24.391 1.00 0.00 O ATOM 0 H GLU A 40 -9.835 19.025 -20.449 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.083 20.503 -22.196 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.768 20.633 -21.109 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.954 22.158 -20.821 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.202 22.096 -22.974 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.498 22.458 -23.171 1.00 0.00 H new ATOM 662 N ASN A 41 -7.921 20.920 -18.977 1.00 0.00 N ATOM 663 CA ASN A 41 -7.215 21.615 -17.915 1.00 0.00 C ATOM 664 C ASN A 41 -6.320 20.665 -17.128 1.00 0.00 C ATOM 665 O ASN A 41 -5.989 20.933 -15.975 1.00 0.00 O ATOM 666 CB ASN A 41 -8.218 22.284 -16.974 1.00 0.00 C ATOM 667 CG ASN A 41 -8.978 23.422 -17.626 1.00 0.00 C ATOM 668 OD1 ASN A 41 -8.553 24.576 -17.580 1.00 0.00 O ATOM 669 ND2 ASN A 41 -10.108 23.107 -18.240 1.00 0.00 N ATOM 0 H ASN A 41 -8.540 20.175 -18.658 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.581 22.374 -18.373 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.928 21.537 -16.619 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.690 22.662 -16.099 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.660 23.833 -18.697 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.427 22.138 -18.256 1.00 0.00 H new ATOM 676 N GLU A 42 -5.890 19.578 -17.760 1.00 0.00 N ATOM 677 CA GLU A 42 -5.115 18.550 -17.065 1.00 0.00 C ATOM 678 C GLU A 42 -3.717 19.045 -16.709 1.00 0.00 C ATOM 679 O GLU A 42 -3.040 18.458 -15.867 1.00 0.00 O ATOM 680 CB GLU A 42 -5.020 17.274 -17.904 1.00 0.00 C ATOM 681 CG GLU A 42 -4.228 17.425 -19.197 1.00 0.00 C ATOM 682 CD GLU A 42 -4.011 16.099 -19.896 1.00 0.00 C ATOM 683 OE1 GLU A 42 -3.693 15.107 -19.210 1.00 0.00 O ATOM 684 OE2 GLU A 42 -4.159 16.041 -21.135 1.00 0.00 O ATOM 0 H GLU A 42 -6.062 19.384 -18.746 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.642 18.323 -16.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.560 16.491 -17.301 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.028 16.939 -18.147 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.756 18.104 -19.867 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.262 17.880 -18.978 1.00 0.00 H new ATOM 691 N GLU A 43 -3.291 20.124 -17.351 1.00 0.00 N ATOM 692 CA GLU A 43 -1.999 20.721 -17.056 1.00 0.00 C ATOM 693 C GLU A 43 -2.073 21.401 -15.696 1.00 0.00 C ATOM 694 O GLU A 43 -1.159 21.303 -14.882 1.00 0.00 O ATOM 695 CB GLU A 43 -1.627 21.742 -18.145 1.00 0.00 C ATOM 696 CG GLU A 43 -0.133 22.030 -18.277 1.00 0.00 C ATOM 697 CD GLU A 43 0.477 22.676 -17.045 1.00 0.00 C ATOM 698 OE1 GLU A 43 0.153 23.848 -16.754 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.293 22.015 -16.366 1.00 0.00 O ATOM 0 H GLU A 43 -3.822 20.602 -18.079 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.231 19.948 -17.037 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.998 21.379 -19.104 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.145 22.678 -17.936 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.391 21.097 -18.484 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.028 22.682 -19.135 1.00 0.00 H new ATOM 706 N VAL A 44 -3.200 22.048 -15.442 1.00 0.00 N ATOM 707 CA VAL A 44 -3.350 22.869 -14.251 1.00 0.00 C ATOM 708 C VAL A 44 -3.970 22.066 -13.118 1.00 0.00 C ATOM 709 O VAL A 44 -3.552 22.162 -11.964 1.00 0.00 O ATOM 710 CB VAL A 44 -4.225 24.107 -14.533 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.188 25.074 -13.357 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.779 24.792 -15.816 1.00 0.00 C ATOM 0 H VAL A 44 -4.023 22.020 -16.044 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.354 23.200 -13.958 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.256 23.778 -14.663 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.812 25.940 -13.578 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.563 24.575 -12.464 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.162 25.400 -13.187 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.407 25.664 -16.000 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.740 25.107 -15.718 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.870 24.096 -16.650 1.00 0.00 H new ATOM 722 N ILE A 45 -4.960 21.264 -13.459 1.00 0.00 N ATOM 723 CA ILE A 45 -5.690 20.485 -12.479 1.00 0.00 C ATOM 724 C ILE A 45 -5.086 19.097 -12.325 1.00 0.00 C ATOM 725 O ILE A 45 -4.665 18.478 -13.302 1.00 0.00 O ATOM 726 CB ILE A 45 -7.168 20.354 -12.885 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.774 21.740 -13.092 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.950 19.584 -11.834 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.182 21.704 -13.619 1.00 0.00 C ATOM 0 H ILE A 45 -5.280 21.135 -14.419 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.622 21.008 -11.525 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.224 19.799 -13.821 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.762 22.279 -12.144 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.149 22.302 -13.786 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.992 19.504 -12.142 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.526 18.586 -11.724 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.893 20.109 -10.881 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.550 22.722 -13.742 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.197 21.193 -14.582 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.820 21.170 -12.915 1.00 0.00 H new ATOM 741 N ASP A 46 -5.058 18.609 -11.096 1.00 0.00 N ATOM 742 CA ASP A 46 -4.507 17.295 -10.807 1.00 0.00 C ATOM 743 C ASP A 46 -5.484 16.519 -9.936 1.00 0.00 C ATOM 744 O ASP A 46 -6.547 17.036 -9.589 1.00 0.00 O ATOM 745 CB ASP A 46 -3.151 17.416 -10.104 1.00 0.00 C ATOM 746 CG ASP A 46 -3.275 17.593 -8.607 1.00 0.00 C ATOM 747 OD1 ASP A 46 -3.720 18.666 -8.157 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.920 16.647 -7.868 1.00 0.00 O ATOM 0 H ASP A 46 -5.412 19.106 -10.279 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.354 16.762 -11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.560 16.524 -10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.606 18.263 -10.521 1.00 0.00 H new ATOM 753 N GLN A 47 -5.120 15.296 -9.567 1.00 0.00 N ATOM 754 CA GLN A 47 -6.000 14.440 -8.777 1.00 0.00 C ATOM 755 C GLN A 47 -6.324 15.067 -7.422 1.00 0.00 C ATOM 756 O GLN A 47 -7.450 14.949 -6.936 1.00 0.00 O ATOM 757 CB GLN A 47 -5.370 13.066 -8.578 1.00 0.00 C ATOM 758 CG GLN A 47 -5.166 12.303 -9.876 1.00 0.00 C ATOM 759 CD GLN A 47 -4.785 10.855 -9.652 1.00 0.00 C ATOM 760 OE1 GLN A 47 -4.143 10.513 -8.657 1.00 0.00 O ATOM 761 NE2 GLN A 47 -5.186 9.993 -10.571 1.00 0.00 N ATOM 0 H GLN A 47 -4.222 14.874 -9.802 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.933 14.329 -9.330 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.408 13.184 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.003 12.477 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.082 12.346 -10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.387 12.792 -10.461 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.716 10.319 -11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.966 9.002 -10.471 1.00 0.00 H new ATOM 770 N LYS A 48 -5.348 15.745 -6.824 1.00 0.00 N ATOM 771 CA LYS A 48 -5.565 16.406 -5.541 1.00 0.00 C ATOM 772 C LYS A 48 -6.633 17.478 -5.686 1.00 0.00 C ATOM 773 O LYS A 48 -7.579 17.539 -4.899 1.00 0.00 O ATOM 774 CB LYS A 48 -4.274 17.038 -5.008 1.00 0.00 C ATOM 775 CG LYS A 48 -3.141 16.049 -4.785 1.00 0.00 C ATOM 776 CD LYS A 48 -1.938 16.713 -4.132 1.00 0.00 C ATOM 777 CE LYS A 48 -1.391 17.862 -4.968 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.892 17.412 -6.294 1.00 0.00 N ATOM 0 H LYS A 48 -4.407 15.851 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.893 15.650 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.941 17.803 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.492 17.542 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.491 15.230 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.844 15.614 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.221 17.085 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.154 15.971 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.173 18.608 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.581 18.350 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.469 18.218 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.175 16.671 -6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.683 17.032 -6.852 1.00 0.00 H new ATOM 792 N MET A 49 -6.484 18.313 -6.709 1.00 0.00 N ATOM 793 CA MET A 49 -7.450 19.358 -6.994 1.00 0.00 C ATOM 794 C MET A 49 -8.826 18.762 -7.269 1.00 0.00 C ATOM 795 O MET A 49 -9.841 19.342 -6.894 1.00 0.00 O ATOM 796 CB MET A 49 -6.996 20.192 -8.189 1.00 0.00 C ATOM 797 CG MET A 49 -7.768 21.488 -8.336 1.00 0.00 C ATOM 798 SD MET A 49 -7.222 22.480 -9.739 1.00 0.00 S ATOM 799 CE MET A 49 -5.512 22.771 -9.300 1.00 0.00 C ATOM 0 H MET A 49 -5.696 18.282 -7.356 1.00 0.00 H new ATOM 0 HA MET A 49 -7.519 20.003 -6.118 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.935 20.418 -8.085 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.109 19.603 -9.099 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.828 21.262 -8.449 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.663 22.073 -7.422 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.132 23.623 -9.864 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.441 22.981 -8.233 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.920 21.886 -9.536 1.00 0.00 H new ATOM 809 N ILE A 50 -8.849 17.601 -7.921 1.00 0.00 N ATOM 810 CA ILE A 50 -10.100 16.910 -8.215 1.00 0.00 C ATOM 811 C ILE A 50 -10.808 16.492 -6.934 1.00 0.00 C ATOM 812 O ILE A 50 -12.001 16.732 -6.774 1.00 0.00 O ATOM 813 CB ILE A 50 -9.872 15.664 -9.106 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.369 16.086 -10.486 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.151 14.844 -9.236 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.333 16.977 -11.244 1.00 0.00 C ATOM 0 H ILE A 50 -8.014 17.120 -8.255 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.728 17.615 -8.760 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.116 15.039 -8.631 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.419 16.609 -10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.172 15.193 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.963 13.975 -9.867 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.473 14.513 -8.249 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.932 15.457 -9.686 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.906 17.234 -12.213 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.276 16.450 -11.391 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.512 17.888 -10.673 1.00 0.00 H new ATOM 828 N GLU A 51 -10.069 15.882 -6.019 1.00 0.00 N ATOM 829 CA GLU A 51 -10.649 15.419 -4.764 1.00 0.00 C ATOM 830 C GLU A 51 -11.014 16.598 -3.870 1.00 0.00 C ATOM 831 O GLU A 51 -11.958 16.529 -3.088 1.00 0.00 O ATOM 832 CB GLU A 51 -9.689 14.484 -4.030 1.00 0.00 C ATOM 833 CG GLU A 51 -9.255 13.285 -4.854 1.00 0.00 C ATOM 834 CD GLU A 51 -8.593 12.212 -4.015 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.666 12.537 -3.244 1.00 0.00 O ATOM 836 OE2 GLU A 51 -9.002 11.037 -4.124 1.00 0.00 O ATOM 0 H GLU A 51 -9.071 15.696 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.557 14.866 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.805 15.047 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.167 14.132 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.123 12.862 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.563 13.613 -5.630 1.00 0.00 H new ATOM 843 N LYS A 52 -10.260 17.681 -3.994 1.00 0.00 N ATOM 844 CA LYS A 52 -10.515 18.883 -3.209 1.00 0.00 C ATOM 845 C LYS A 52 -11.722 19.641 -3.746 1.00 0.00 C ATOM 846 O LYS A 52 -12.543 20.146 -2.983 1.00 0.00 O ATOM 847 CB LYS A 52 -9.284 19.789 -3.206 1.00 0.00 C ATOM 848 CG LYS A 52 -8.443 19.712 -1.935 1.00 0.00 C ATOM 849 CD LYS A 52 -7.710 18.379 -1.770 1.00 0.00 C ATOM 850 CE LYS A 52 -8.625 17.266 -1.270 1.00 0.00 C ATOM 851 NZ LYS A 52 -7.875 16.018 -0.967 1.00 0.00 N ATOM 0 H LYS A 52 -9.466 17.753 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.731 18.577 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.656 19.530 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.607 20.820 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.713 20.521 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.088 19.873 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.276 18.086 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.884 18.507 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.147 17.602 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.386 17.058 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.536 15.289 -0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.398 15.682 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.166 16.209 -0.230 1.00 0.00 H new ATOM 865 N SER A 53 -11.821 19.715 -5.060 1.00 0.00 N ATOM 866 CA SER A 53 -12.939 20.385 -5.710 1.00 0.00 C ATOM 867 C SER A 53 -14.019 19.373 -6.094 1.00 0.00 C ATOM 868 O SER A 53 -14.855 19.637 -6.959 1.00 0.00 O ATOM 869 CB SER A 53 -12.450 21.130 -6.950 1.00 0.00 C ATOM 870 OG SER A 53 -11.347 21.967 -6.639 1.00 0.00 O ATOM 0 H SER A 53 -11.137 19.318 -5.704 1.00 0.00 H new ATOM 0 HA SER A 53 -13.371 21.102 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.162 20.413 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.262 21.730 -7.362 1.00 0.00 H new ATOM 0 HG SER A 53 -10.524 21.434 -6.630 1.00 0.00 H new ATOM 876 N LEU A 54 -13.996 18.226 -5.425 1.00 0.00 N ATOM 877 CA LEU A 54 -14.953 17.155 -5.670 1.00 0.00 C ATOM 878 C LEU A 54 -16.371 17.647 -5.433 1.00 0.00 C ATOM 879 O LEU A 54 -17.291 17.330 -6.188 1.00 0.00 O ATOM 880 CB LEU A 54 -14.662 15.985 -4.733 1.00 0.00 C ATOM 881 CG LEU A 54 -15.413 14.689 -5.043 1.00 0.00 C ATOM 882 CD1 LEU A 54 -15.051 14.173 -6.425 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.117 13.638 -3.986 1.00 0.00 C ATOM 0 H LEU A 54 -13.313 18.013 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.858 16.832 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.592 15.779 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.903 16.289 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.482 14.902 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.597 13.251 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.316 14.920 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.980 13.978 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.659 12.722 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.047 13.432 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.432 14.005 -3.009 1.00 0.00 H new ATOM 895 N ASN A 55 -16.527 18.435 -4.379 1.00 0.00 N ATOM 896 CA ASN A 55 -17.817 18.999 -4.015 1.00 0.00 C ATOM 897 C ASN A 55 -18.358 19.860 -5.149 1.00 0.00 C ATOM 898 O ASN A 55 -19.542 19.804 -5.474 1.00 0.00 O ATOM 899 CB ASN A 55 -17.684 19.840 -2.745 1.00 0.00 C ATOM 900 CG ASN A 55 -17.300 19.025 -1.526 1.00 0.00 C ATOM 901 OD1 ASN A 55 -17.661 17.854 -1.400 1.00 0.00 O ATOM 902 ND2 ASN A 55 -16.553 19.637 -0.620 1.00 0.00 N ATOM 0 H ASN A 55 -15.765 18.700 -3.755 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.513 18.181 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.934 20.615 -2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.630 20.347 -2.552 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.256 19.137 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.274 20.608 -0.760 1.00 0.00 H new ATOM 909 N LYS A 56 -17.471 20.639 -5.759 1.00 0.00 N ATOM 910 CA LYS A 56 -17.838 21.494 -6.879 1.00 0.00 C ATOM 911 C LYS A 56 -18.289 20.660 -8.069 1.00 0.00 C ATOM 912 O LYS A 56 -19.381 20.860 -8.594 1.00 0.00 O ATOM 913 CB LYS A 56 -16.660 22.381 -7.285 1.00 0.00 C ATOM 914 CG LYS A 56 -16.323 23.450 -6.263 1.00 0.00 C ATOM 915 CD LYS A 56 -17.469 24.432 -6.097 1.00 0.00 C ATOM 916 CE LYS A 56 -17.123 25.529 -5.108 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.247 26.482 -4.930 1.00 0.00 N ATOM 0 H LYS A 56 -16.488 20.695 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.666 22.128 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.783 21.754 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.888 22.860 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.100 22.982 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.425 23.984 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.713 24.875 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.358 23.901 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.867 25.084 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.241 26.067 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.974 27.217 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.475 26.925 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.081 25.973 -4.575 1.00 0.00 H new ATOM 931 N LEU A 57 -17.456 19.714 -8.478 1.00 0.00 N ATOM 932 CA LEU A 57 -17.764 18.878 -9.637 1.00 0.00 C ATOM 933 C LEU A 57 -19.042 18.078 -9.414 1.00 0.00 C ATOM 934 O LEU A 57 -19.856 17.929 -10.327 1.00 0.00 O ATOM 935 CB LEU A 57 -16.596 17.937 -9.956 1.00 0.00 C ATOM 936 CG LEU A 57 -15.492 18.530 -10.843 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.861 19.755 -10.196 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.427 17.484 -11.135 1.00 0.00 C ATOM 0 H LEU A 57 -16.565 19.504 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.920 19.539 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.148 17.611 -9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.992 17.047 -10.445 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.950 18.842 -11.782 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.083 20.151 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.624 20.517 -10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.423 19.475 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.652 17.920 -11.765 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.985 17.144 -10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.880 16.638 -11.651 1.00 0.00 H new ATOM 950 N TYR A 58 -19.224 17.588 -8.195 1.00 0.00 N ATOM 951 CA TYR A 58 -20.411 16.819 -7.849 1.00 0.00 C ATOM 952 C TYR A 58 -21.656 17.703 -7.876 1.00 0.00 C ATOM 953 O TYR A 58 -22.708 17.289 -8.353 1.00 0.00 O ATOM 954 CB TYR A 58 -20.241 16.185 -6.467 1.00 0.00 C ATOM 955 CG TYR A 58 -21.254 15.104 -6.161 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.240 13.908 -6.865 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.212 15.274 -5.169 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.151 12.911 -6.591 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.127 14.277 -4.887 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.092 13.097 -5.601 1.00 0.00 C ATOM 961 OH TYR A 58 -23.989 12.092 -5.322 1.00 0.00 O ATOM 0 H TYR A 58 -18.563 17.710 -7.428 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.538 16.028 -8.589 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.239 15.762 -6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.315 16.964 -5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.503 13.756 -7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.242 16.198 -4.611 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.128 11.987 -7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -23.865 14.421 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.585 12.377 -4.599 1.00 0.00 H new ATOM 971 N GLU A 59 -21.529 18.922 -7.370 1.00 0.00 N ATOM 972 CA GLU A 59 -22.630 19.879 -7.392 1.00 0.00 C ATOM 973 C GLU A 59 -22.978 20.239 -8.837 1.00 0.00 C ATOM 974 O GLU A 59 -24.145 20.397 -9.194 1.00 0.00 O ATOM 975 CB GLU A 59 -22.242 21.146 -6.623 1.00 0.00 C ATOM 976 CG GLU A 59 -23.399 22.102 -6.397 1.00 0.00 C ATOM 977 CD GLU A 59 -24.391 21.578 -5.381 1.00 0.00 C ATOM 978 OE1 GLU A 59 -25.264 20.763 -5.750 1.00 0.00 O ATOM 979 OE2 GLU A 59 -24.301 21.979 -4.201 1.00 0.00 O ATOM 0 H GLU A 59 -20.674 19.273 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.499 19.426 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.824 20.861 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.455 21.665 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.012 23.063 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.911 22.278 -7.343 1.00 0.00 H new ATOM 986 N TYR A 60 -21.944 20.346 -9.655 1.00 0.00 N ATOM 987 CA TYR A 60 -22.078 20.724 -11.057 1.00 0.00 C ATOM 988 C TYR A 60 -22.842 19.678 -11.865 1.00 0.00 C ATOM 989 O TYR A 60 -23.732 20.015 -12.643 1.00 0.00 O ATOM 990 CB TYR A 60 -20.684 20.937 -11.646 1.00 0.00 C ATOM 991 CG TYR A 60 -20.645 21.066 -13.150 1.00 0.00 C ATOM 992 CD1 TYR A 60 -21.126 22.202 -13.786 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.109 20.049 -13.934 1.00 0.00 C ATOM 994 CE1 TYR A 60 -21.074 22.320 -15.159 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.049 20.165 -15.307 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.535 21.303 -15.915 1.00 0.00 C ATOM 997 OH TYR A 60 -20.469 21.434 -17.283 1.00 0.00 O ATOM 0 H TYR A 60 -20.981 20.173 -9.366 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.655 21.647 -11.111 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.253 21.837 -11.207 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.049 20.102 -11.350 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.547 23.004 -13.198 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.734 19.154 -13.460 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.455 23.208 -15.640 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.624 19.370 -15.902 1.00 0.00 H new ATOM 0 HH TYR A 60 -21.048 22.171 -17.569 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.481 18.419 -11.699 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.110 17.347 -12.462 1.00 0.00 C ATOM 1009 C ILE A 61 -24.555 17.117 -12.019 1.00 0.00 C ATOM 1010 O ILE A 61 -25.399 16.718 -12.821 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.304 16.034 -12.363 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.231 15.538 -10.916 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -20.904 16.245 -12.923 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.411 14.281 -10.749 1.00 0.00 C ATOM 0 H ILE A 61 -21.760 18.110 -11.047 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.120 17.663 -13.505 1.00 0.00 H new ATOM 0 HB ILE A 61 -22.814 15.271 -12.951 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.806 16.324 -10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.242 15.353 -10.552 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.339 15.315 -12.851 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.972 16.548 -13.968 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.397 17.023 -12.352 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.403 13.988 -9.699 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -21.847 13.480 -11.346 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.390 14.466 -11.081 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.830 17.375 -10.746 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.168 17.185 -10.191 1.00 0.00 C ATOM 1028 C GLU A 62 -27.083 18.363 -10.504 1.00 0.00 C ATOM 1029 O GLU A 62 -28.309 18.224 -10.519 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.079 17.002 -8.681 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.357 15.735 -8.273 1.00 0.00 C ATOM 1032 CD GLU A 62 -26.180 14.488 -8.529 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -27.267 14.363 -7.922 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -25.743 13.620 -9.313 1.00 0.00 O ATOM 0 H GLU A 62 -24.142 17.718 -10.075 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.594 16.294 -10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.565 17.860 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.086 16.989 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.417 15.664 -8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.106 15.789 -7.214 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.490 19.523 -10.724 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.268 20.725 -11.004 1.00 0.00 C ATOM 1043 C GLN A 63 -27.662 20.782 -12.481 1.00 0.00 C ATOM 1044 O GLN A 63 -27.018 20.164 -13.331 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.498 21.990 -10.590 1.00 0.00 C ATOM 1046 CG GLN A 63 -25.400 22.416 -11.557 1.00 0.00 C ATOM 1047 CD GLN A 63 -24.574 23.579 -11.032 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -24.136 24.440 -11.788 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.315 23.593 -9.738 1.00 0.00 N ATOM 0 H GLN A 63 -25.480 19.662 -10.715 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.181 20.683 -10.411 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.207 22.811 -10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.054 21.823 -9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -24.743 21.568 -11.751 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.849 22.696 -12.510 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.693 22.863 -9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.736 24.334 -9.342 1.00 0.00 H new ATOM 1058 N SER A 64 -28.737 21.508 -12.765 1.00 0.00 N ATOM 1059 CA SER A 64 -29.266 21.618 -14.119 1.00 0.00 C ATOM 1060 C SER A 64 -28.259 22.271 -15.060 1.00 0.00 C ATOM 1061 O SER A 64 -27.973 23.467 -14.954 1.00 0.00 O ATOM 1062 CB SER A 64 -30.561 22.424 -14.097 1.00 0.00 C ATOM 1063 OG SER A 64 -31.449 21.915 -13.116 1.00 0.00 O ATOM 0 H SER A 64 -29.264 22.034 -12.068 1.00 0.00 H new ATOM 0 HA SER A 64 -29.465 20.613 -14.491 1.00 0.00 H new ATOM 0 HB2 SER A 64 -30.341 23.471 -13.888 1.00 0.00 H new ATOM 0 HB3 SER A 64 -31.035 22.388 -15.078 1.00 0.00 H new ATOM 0 HG SER A 64 -32.160 22.568 -12.948 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.713 21.471 -15.963 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.762 21.957 -16.951 1.00 0.00 C ATOM 1071 C LYS A 65 -27.481 22.567 -18.141 1.00 0.00 C ATOM 1072 O LYS A 65 -27.070 23.595 -18.678 1.00 0.00 O ATOM 1073 CB LYS A 65 -25.876 20.821 -17.443 1.00 0.00 C ATOM 1074 CG LYS A 65 -24.974 20.229 -16.380 1.00 0.00 C ATOM 1075 CD LYS A 65 -24.154 19.099 -16.961 1.00 0.00 C ATOM 1076 CE LYS A 65 -23.099 18.611 -15.996 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.188 17.644 -16.650 1.00 0.00 N ATOM 0 H LYS A 65 -27.915 20.474 -16.032 1.00 0.00 H new ATOM 0 HA LYS A 65 -26.149 22.720 -16.470 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.509 20.031 -17.847 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -25.259 21.186 -18.264 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -24.314 21.000 -15.982 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -25.574 19.862 -15.547 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -24.813 18.272 -17.226 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -23.676 19.434 -17.882 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -22.526 19.458 -15.619 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.577 18.142 -15.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -21.283 17.619 -16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.619 16.698 -16.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.021 17.935 -17.634 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.551 21.921 -18.560 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.305 22.369 -19.713 1.00 0.00 C ATOM 1093 C ASN A 66 -30.204 23.534 -19.331 1.00 0.00 C ATOM 1094 O ASN A 66 -30.337 23.866 -18.157 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.133 21.220 -20.309 1.00 0.00 C ATOM 1096 CG ASN A 66 -31.083 20.576 -19.307 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -30.803 20.518 -18.111 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -32.206 20.073 -19.794 1.00 0.00 N ATOM 0 H ASN A 66 -28.919 21.080 -18.116 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.601 22.705 -20.474 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -30.709 21.597 -21.154 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -29.457 20.459 -20.699 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -32.873 19.618 -19.171 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -32.404 20.140 -20.792 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.821 24.155 -20.324 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.673 25.298 -20.066 1.00 0.00 C ATOM 1107 C CYS A 67 -32.883 25.228 -20.971 1.00 0.00 C ATOM 1108 O CYS A 67 -32.805 24.669 -22.069 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.914 26.614 -20.272 1.00 0.00 C ATOM 1110 SG CYS A 67 -31.052 27.336 -21.945 1.00 0.00 S ATOM 0 H CYS A 67 -30.747 23.888 -21.306 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.997 25.272 -19.025 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.278 27.343 -19.548 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.860 26.446 -20.052 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.918 26.398 -22.835 1.00 0.00 H new ATOM 1115 N SER A 68 -33.965 25.831 -20.541 1.00 0.00 N ATOM 1116 CA SER A 68 -35.253 25.669 -21.217 1.00 0.00 C ATOM 1117 C SER A 68 -35.297 26.449 -22.528 1.00 0.00 C ATOM 1118 O SER A 68 -36.197 26.270 -23.342 1.00 0.00 O ATOM 1119 CB SER A 68 -36.399 26.086 -20.294 1.00 0.00 C ATOM 1120 OG SER A 68 -36.480 25.232 -19.163 1.00 0.00 O ATOM 0 H SER A 68 -33.991 26.442 -19.725 1.00 0.00 H new ATOM 0 HA SER A 68 -35.373 24.613 -21.461 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.251 27.115 -19.967 1.00 0.00 H new ATOM 0 HB3 SER A 68 -37.340 26.059 -20.843 1.00 0.00 H new ATOM 0 HG SER A 68 -37.308 25.416 -18.672 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.306 27.309 -22.727 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.159 28.028 -23.987 1.00 0.00 C ATOM 1128 C TYR A 69 -33.614 27.112 -25.079 1.00 0.00 C ATOM 1129 O TYR A 69 -33.391 27.538 -26.209 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.223 29.214 -23.808 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.754 30.489 -24.416 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -33.684 30.704 -25.785 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -34.339 31.469 -23.626 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -34.181 31.862 -26.352 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -34.836 32.632 -24.182 1.00 0.00 C ATOM 1136 CZ TYR A 69 -34.756 32.824 -25.545 1.00 0.00 C ATOM 1137 OH TYR A 69 -35.254 33.978 -26.106 1.00 0.00 O ATOM 0 H TYR A 69 -33.592 27.526 -22.032 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.145 28.383 -24.288 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.047 29.372 -22.744 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.259 28.979 -24.259 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -33.234 29.954 -26.418 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -34.407 31.320 -22.559 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -34.120 32.014 -27.420 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -35.285 33.386 -23.553 1.00 0.00 H new ATOM 0 HH TYR A 69 -35.625 34.550 -25.402 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.361 25.863 -24.728 1.00 0.00 N ATOM 1148 CA CYS A 70 -32.901 24.886 -25.712 1.00 0.00 C ATOM 1149 C CYS A 70 -33.481 23.496 -25.445 1.00 0.00 C ATOM 1150 O CYS A 70 -33.644 22.701 -26.370 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.371 24.830 -25.739 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.615 24.318 -24.164 1.00 0.00 S ATOM 0 H CYS A 70 -33.463 25.500 -23.780 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.260 25.211 -26.689 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.058 24.139 -26.521 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -30.987 25.813 -26.011 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.498 24.397 -23.213 1.00 0.00 H new ATOM 1157 N SER A 71 -33.781 23.204 -24.185 1.00 0.00 N ATOM 1158 CA SER A 71 -34.346 21.916 -23.808 1.00 0.00 C ATOM 1159 C SER A 71 -35.768 22.100 -23.288 1.00 0.00 C ATOM 1160 O SER A 71 -36.096 23.147 -22.732 1.00 0.00 O ATOM 1161 CB SER A 71 -33.474 21.265 -22.734 1.00 0.00 C ATOM 1162 OG SER A 71 -32.113 21.214 -23.141 1.00 0.00 O ATOM 0 H SER A 71 -33.641 23.846 -23.405 1.00 0.00 H new ATOM 0 HA SER A 71 -34.375 21.269 -24.684 1.00 0.00 H new ATOM 0 HB2 SER A 71 -33.558 21.827 -21.804 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.834 20.256 -22.531 1.00 0.00 H new ATOM 0 HG SER A 71 -31.768 22.125 -23.244 1.00 0.00 H new ATOM 1168 N GLU A 72 -36.604 21.084 -23.456 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.003 21.179 -23.057 1.00 0.00 C ATOM 1170 C GLU A 72 -38.241 20.497 -21.719 1.00 0.00 C ATOM 1171 O GLU A 72 -39.383 20.344 -21.289 1.00 0.00 O ATOM 1172 CB GLU A 72 -38.893 20.536 -24.113 1.00 0.00 C ATOM 1173 CG GLU A 72 -38.653 19.046 -24.278 1.00 0.00 C ATOM 1174 CD GLU A 72 -39.613 18.414 -25.255 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -40.698 17.978 -24.831 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -39.290 18.361 -26.460 1.00 0.00 O ATOM 0 H GLU A 72 -36.340 20.187 -23.864 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.250 22.236 -22.959 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -39.937 20.701 -23.847 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -38.726 21.032 -25.069 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -37.631 18.881 -24.619 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -38.749 18.556 -23.309 1.00 0.00 H new ATOM 1183 N ASP A 73 -37.159 20.079 -21.078 1.00 0.00 N ATOM 1184 CA ASP A 73 -37.236 19.402 -19.786 1.00 0.00 C ATOM 1185 C ASP A 73 -37.980 20.267 -18.778 1.00 0.00 C ATOM 1186 O ASP A 73 -37.449 21.257 -18.274 1.00 0.00 O ATOM 1187 CB ASP A 73 -35.839 19.080 -19.256 1.00 0.00 C ATOM 1188 CG ASP A 73 -35.056 18.169 -20.181 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -34.579 18.650 -21.232 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -34.904 16.971 -19.857 1.00 0.00 O ATOM 0 H ASP A 73 -36.210 20.197 -21.433 1.00 0.00 H new ATOM 0 HA ASP A 73 -37.780 18.468 -19.927 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -35.286 20.009 -19.114 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -35.926 18.608 -18.277 1.00 0.00 H new ATOM 1195 N GLU A 74 -39.219 19.898 -18.506 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.074 20.655 -17.606 1.00 0.00 C ATOM 1197 C GLU A 74 -39.778 20.266 -16.163 1.00 0.00 C ATOM 1198 O GLU A 74 -39.996 21.041 -15.233 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.541 20.375 -17.945 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.534 21.263 -17.217 1.00 0.00 C ATOM 1201 CD GLU A 74 -42.391 22.727 -17.574 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -42.509 23.071 -18.769 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -42.170 23.543 -16.658 1.00 0.00 O ATOM 0 H GLU A 74 -39.661 19.068 -18.901 1.00 0.00 H new ATOM 0 HA GLU A 74 -39.879 21.721 -17.725 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.683 20.497 -19.019 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.763 19.334 -17.710 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -43.547 20.935 -17.452 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -42.401 21.142 -16.142 1.00 0.00 H new ATOM 1210 N ASN A 75 -39.244 19.068 -15.994 1.00 0.00 N ATOM 1211 CA ASN A 75 -38.992 18.518 -14.668 1.00 0.00 C ATOM 1212 C ASN A 75 -37.576 18.827 -14.195 1.00 0.00 C ATOM 1213 O ASN A 75 -36.991 18.065 -13.428 1.00 0.00 O ATOM 1214 CB ASN A 75 -39.226 17.007 -14.674 1.00 0.00 C ATOM 1215 CG ASN A 75 -40.695 16.647 -14.787 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -41.237 16.538 -15.886 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -41.344 16.446 -13.651 1.00 0.00 N ATOM 0 H ASN A 75 -38.975 18.453 -16.762 1.00 0.00 H new ATOM 0 HA ASN A 75 -39.687 18.988 -13.972 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -38.681 16.562 -15.506 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -38.819 16.576 -13.759 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -42.331 16.190 -13.666 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -40.857 16.547 -12.761 1.00 0.00 H new ATOM 1224 N CYS A 76 -37.031 19.944 -14.648 1.00 0.00 N ATOM 1225 CA CYS A 76 -35.740 20.402 -14.167 1.00 0.00 C ATOM 1226 C CYS A 76 -35.809 21.888 -13.858 1.00 0.00 C ATOM 1227 O CYS A 76 -36.243 22.685 -14.694 1.00 0.00 O ATOM 1228 CB CYS A 76 -34.635 20.115 -15.192 1.00 0.00 C ATOM 1229 SG CYS A 76 -34.788 21.026 -16.748 1.00 0.00 S ATOM 0 H CYS A 76 -37.462 20.549 -15.347 1.00 0.00 H new ATOM 0 HA CYS A 76 -35.494 19.857 -13.255 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -33.671 20.352 -14.742 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -34.631 19.047 -15.411 1.00 0.00 H new ATOM 0 HG CYS A 76 -36.020 20.976 -17.161 1.00 0.00 H new ATOM 1235 N ASN A 77 -35.421 22.264 -12.650 1.00 0.00 N ATOM 1236 CA ASN A 77 -35.437 23.665 -12.269 1.00 0.00 C ATOM 1237 C ASN A 77 -34.167 24.347 -12.756 1.00 0.00 C ATOM 1238 O ASN A 77 -33.053 23.927 -12.439 1.00 0.00 O ATOM 1239 CB ASN A 77 -35.601 23.837 -10.746 1.00 0.00 C ATOM 1240 CG ASN A 77 -34.355 23.484 -9.943 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -33.518 24.344 -9.664 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -34.225 22.224 -9.556 1.00 0.00 N ATOM 0 H ASN A 77 -35.095 21.626 -11.924 1.00 0.00 H new ATOM 0 HA ASN A 77 -36.298 24.137 -12.742 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -35.875 24.871 -10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -36.428 23.212 -10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -33.412 21.940 -9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -34.938 21.538 -9.805 1.00 0.00 H new ATOM 1249 N ASN A 78 -34.332 25.365 -13.577 1.00 0.00 N ATOM 1250 CA ASN A 78 -33.202 26.164 -14.008 1.00 0.00 C ATOM 1251 C ASN A 78 -33.290 27.552 -13.401 1.00 0.00 C ATOM 1252 O ASN A 78 -34.182 28.337 -13.725 1.00 0.00 O ATOM 1253 CB ASN A 78 -33.083 26.226 -15.542 1.00 0.00 C ATOM 1254 CG ASN A 78 -34.399 26.467 -16.258 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -34.820 27.605 -16.460 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -35.046 25.389 -16.668 1.00 0.00 N ATOM 0 H ASN A 78 -35.232 25.657 -13.957 1.00 0.00 H new ATOM 0 HA ASN A 78 -32.293 25.681 -13.651 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -32.386 27.020 -15.809 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -32.653 25.291 -15.900 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -35.928 25.484 -17.172 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -34.663 24.462 -16.481 1.00 0.00 H new ATOM 1263 N LEU A 79 -32.383 27.815 -12.468 1.00 0.00 N ATOM 1264 CA LEU A 79 -32.310 29.102 -11.793 1.00 0.00 C ATOM 1265 C LEU A 79 -32.121 30.199 -12.831 1.00 0.00 C ATOM 1266 O LEU A 79 -32.960 31.089 -12.978 1.00 0.00 O ATOM 1267 CB LEU A 79 -31.147 29.084 -10.789 1.00 0.00 C ATOM 1268 CG LEU A 79 -31.220 30.094 -9.637 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -30.150 29.780 -8.604 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -31.060 31.521 -10.140 1.00 0.00 C ATOM 0 H LEU A 79 -31.680 27.143 -12.160 1.00 0.00 H new ATOM 0 HA LEU A 79 -33.233 29.297 -11.246 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -31.081 28.083 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -30.221 29.258 -11.337 1.00 0.00 H new ATOM 0 HG LEU A 79 -32.204 30.010 -9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -30.208 30.502 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -30.307 28.775 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -29.166 29.838 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -31.117 32.212 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -30.093 31.627 -10.632 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -31.855 31.748 -10.850 1.00 0.00 H new ATOM 1282 N LEU A 80 -31.017 30.121 -13.557 1.00 0.00 N ATOM 1283 CA LEU A 80 -30.784 31.015 -14.673 1.00 0.00 C ATOM 1284 C LEU A 80 -31.423 30.440 -15.929 1.00 0.00 C ATOM 1285 O LEU A 80 -31.727 29.250 -15.989 1.00 0.00 O ATOM 1286 CB LEU A 80 -29.283 31.242 -14.909 1.00 0.00 C ATOM 1287 CG LEU A 80 -28.536 31.999 -13.803 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -28.232 31.094 -12.618 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -27.254 32.603 -14.353 1.00 0.00 C ATOM 0 H LEU A 80 -30.270 29.447 -13.391 1.00 0.00 H new ATOM 0 HA LEU A 80 -31.235 31.979 -14.436 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.806 30.271 -15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -29.161 31.790 -15.843 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.183 32.802 -13.450 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.702 31.662 -11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.165 30.710 -12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.611 30.261 -12.946 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.733 33.137 -13.558 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -26.613 31.809 -14.737 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -27.495 33.296 -15.159 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.601 31.278 -16.930 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.128 30.850 -18.202 1.00 0.00 C ATOM 1303 C GLU A 81 -31.388 31.585 -19.303 1.00 0.00 C ATOM 1304 O GLU A 81 -30.989 32.737 -19.131 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.626 31.126 -18.282 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.214 30.909 -19.665 1.00 0.00 C ATOM 1307 CD GLU A 81 -34.145 29.466 -20.141 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -33.041 28.999 -20.519 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -35.193 28.799 -20.171 1.00 0.00 O ATOM 0 H GLU A 81 -31.383 32.273 -16.881 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.984 29.776 -18.318 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.144 30.481 -17.572 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.814 32.155 -17.974 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -35.255 31.231 -19.662 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -33.686 31.543 -20.378 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.188 30.907 -20.419 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.300 31.413 -21.436 1.00 0.00 C ATOM 1318 C GLY A 82 -28.856 31.173 -21.051 1.00 0.00 C ATOM 1319 O GLY A 82 -27.943 31.632 -21.714 1.00 0.00 O ATOM 0 H GLY A 82 -31.627 30.013 -20.638 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -30.514 30.926 -22.388 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -30.472 32.480 -21.578 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.654 30.441 -19.967 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.317 30.159 -19.473 1.00 0.00 C ATOM 1325 C TYR A 83 -27.172 28.689 -19.110 1.00 0.00 C ATOM 1326 O TYR A 83 -28.161 28.007 -18.836 1.00 0.00 O ATOM 1327 CB TYR A 83 -27.005 31.023 -18.249 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.768 32.483 -18.561 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -27.821 33.386 -18.607 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -25.487 32.957 -18.809 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -27.605 34.720 -18.890 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -25.262 34.290 -19.094 1.00 0.00 C ATOM 1333 CZ TYR A 83 -26.324 35.165 -19.135 1.00 0.00 C ATOM 1334 OH TYR A 83 -26.103 36.494 -19.415 1.00 0.00 O ATOM 0 H TYR A 83 -29.403 30.030 -19.411 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.610 30.396 -20.268 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.832 30.944 -17.543 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -26.122 30.622 -17.752 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.826 33.039 -18.418 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -24.652 32.272 -18.779 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -28.435 35.411 -18.919 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -24.259 34.643 -19.283 1.00 0.00 H new ATOM 0 HH TYR A 83 -25.146 36.643 -19.562 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.937 28.209 -19.149 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.598 26.856 -18.713 1.00 0.00 C ATOM 1346 C HIS A 84 -24.409 26.925 -17.762 1.00 0.00 C ATOM 1347 O HIS A 84 -23.542 27.784 -17.921 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.195 25.958 -19.886 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.267 25.633 -20.881 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.193 24.538 -21.714 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.383 26.314 -21.257 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.224 24.593 -22.558 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -27.969 25.653 -22.322 1.00 0.00 N ATOM 0 H HIS A 84 -25.137 28.746 -19.484 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.482 26.437 -18.233 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.373 26.438 -20.416 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.810 25.022 -19.482 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.476 23.813 -21.689 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.751 27.221 -20.800 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.422 23.866 -23.332 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.353 26.045 -16.765 1.00 0.00 N ATOM 1362 CA PRO A 85 -23.205 25.957 -15.870 1.00 0.00 C ATOM 1363 C PRO A 85 -22.038 25.218 -16.516 1.00 0.00 C ATOM 1364 O PRO A 85 -22.235 24.268 -17.274 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.747 25.172 -14.681 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.830 24.318 -15.247 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.404 25.073 -16.420 1.00 0.00 C ATOM 0 HA PRO A 85 -22.811 26.937 -15.601 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.967 24.567 -14.219 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -24.132 25.839 -13.910 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -24.437 23.352 -15.563 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.598 24.120 -14.500 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.622 24.407 -17.255 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.337 25.571 -16.157 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.829 25.671 -16.233 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.632 25.010 -16.721 1.00 0.00 C ATOM 1377 C LYS A 86 -18.535 25.093 -15.672 1.00 0.00 C ATOM 1378 O LYS A 86 -18.501 26.026 -14.867 1.00 0.00 O ATOM 1379 CB LYS A 86 -19.157 25.645 -18.036 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.701 27.091 -17.889 1.00 0.00 C ATOM 1381 CD LYS A 86 -18.112 27.645 -19.180 1.00 0.00 C ATOM 1382 CE LYS A 86 -16.898 26.848 -19.628 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.233 27.465 -20.807 1.00 0.00 N ATOM 0 H LYS A 86 -20.650 26.499 -15.664 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.866 23.963 -16.914 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.335 25.053 -18.439 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.967 25.601 -18.764 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.547 27.707 -17.584 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.957 27.156 -17.095 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.870 27.627 -19.964 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.830 28.688 -19.034 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.186 26.778 -18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.202 25.831 -19.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.410 26.891 -21.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.904 27.509 -21.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.919 28.427 -20.565 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.661 24.103 -15.669 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.529 24.096 -14.763 1.00 0.00 C ATOM 1399 C LEU A 87 -15.467 25.070 -15.249 1.00 0.00 C ATOM 1400 O LEU A 87 -15.188 25.148 -16.446 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.939 22.690 -14.654 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.880 21.635 -14.081 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.224 20.266 -14.114 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.280 22.004 -12.663 1.00 0.00 C ATOM 0 H LEU A 87 -17.714 23.292 -16.286 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.872 24.406 -13.776 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.620 22.369 -15.646 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.046 22.735 -14.030 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.780 21.597 -14.695 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -16.908 19.525 -13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.982 20.003 -15.144 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.310 20.286 -13.520 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.952 21.243 -12.265 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.389 22.065 -12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.787 22.969 -12.667 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.894 25.819 -14.325 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.828 26.751 -14.648 1.00 0.00 C ATOM 1418 C VAL A 88 -12.662 26.555 -13.694 1.00 0.00 C ATOM 1419 O VAL A 88 -12.855 26.171 -12.536 1.00 0.00 O ATOM 1420 CB VAL A 88 -14.302 28.225 -14.576 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -15.454 28.472 -15.535 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.700 28.601 -13.157 1.00 0.00 C ATOM 0 H VAL A 88 -15.151 25.800 -13.338 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.517 26.545 -15.672 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.466 28.858 -14.875 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.768 29.513 -15.466 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -15.132 28.257 -16.554 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.290 27.823 -15.275 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -15.029 29.640 -13.134 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.513 27.956 -12.824 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.844 28.477 -12.494 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.455 26.798 -14.172 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.290 26.733 -13.310 1.00 0.00 C ATOM 1434 C VAL A 89 -10.067 28.090 -12.650 1.00 0.00 C ATOM 1435 O VAL A 89 -9.832 29.099 -13.315 1.00 0.00 O ATOM 1436 CB VAL A 89 -9.016 26.265 -14.063 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.693 27.170 -15.244 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.839 26.186 -13.108 1.00 0.00 C ATOM 0 H VAL A 89 -11.257 27.040 -15.143 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.484 25.983 -12.543 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.213 25.270 -14.462 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.795 26.808 -15.744 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.527 27.164 -15.946 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.526 28.187 -14.888 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.952 25.856 -13.650 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.655 27.169 -12.675 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.063 25.475 -12.312 1.00 0.00 H new ATOM 1448 N ASN A 90 -10.182 28.113 -11.337 1.00 0.00 N ATOM 1449 CA ASN A 90 -10.080 29.351 -10.580 1.00 0.00 C ATOM 1450 C ASN A 90 -8.873 29.301 -9.657 1.00 0.00 C ATOM 1451 O ASN A 90 -8.948 28.751 -8.555 1.00 0.00 O ATOM 1452 CB ASN A 90 -11.355 29.570 -9.762 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.961 30.942 -9.976 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.631 31.897 -9.274 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.865 31.044 -10.939 1.00 0.00 N ATOM 0 H ASN A 90 -10.347 27.284 -10.766 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.958 30.181 -11.276 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.088 28.808 -10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.129 29.438 -8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.317 31.940 -11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.109 30.226 -11.498 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.763 29.860 -10.115 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.532 29.810 -9.350 1.00 0.00 C ATOM 1464 C GLY A 91 -6.008 28.395 -9.217 1.00 0.00 C ATOM 1465 O GLY A 91 -5.527 27.807 -10.184 1.00 0.00 O ATOM 0 H GLY A 91 -7.692 30.350 -11.007 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.779 30.432 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.703 30.229 -8.358 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.111 27.844 -8.019 1.00 0.00 N ATOM 1470 CA ARG A 92 -5.699 26.468 -7.771 1.00 0.00 C ATOM 1471 C ARG A 92 -6.899 25.636 -7.329 1.00 0.00 C ATOM 1472 O ARG A 92 -6.753 24.571 -6.732 1.00 0.00 O ATOM 1473 CB ARG A 92 -4.592 26.423 -6.715 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.317 27.133 -7.148 1.00 0.00 C ATOM 1475 CD ARG A 92 -2.712 26.496 -8.390 1.00 0.00 C ATOM 1476 NE ARG A 92 -1.600 27.283 -8.925 1.00 0.00 N ATOM 1477 CZ ARG A 92 -0.970 27.011 -10.072 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.277 25.922 -10.763 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -0.013 27.815 -10.515 1.00 0.00 N ATOM 0 H ARG A 92 -6.477 28.328 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.304 26.046 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.958 26.878 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.360 25.383 -6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.534 28.182 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.591 27.106 -6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.362 25.492 -8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.482 26.390 -9.154 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.286 28.091 -8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.997 25.287 -10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.793 25.720 -11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.245 28.644 -9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.465 27.604 -11.391 1.00 0.00 H new ATOM 1493 N SER A 93 -8.084 26.144 -7.626 1.00 0.00 N ATOM 1494 CA SER A 93 -9.325 25.469 -7.282 1.00 0.00 C ATOM 1495 C SER A 93 -10.258 25.445 -8.489 1.00 0.00 C ATOM 1496 O SER A 93 -10.091 26.226 -9.422 1.00 0.00 O ATOM 1497 CB SER A 93 -9.991 26.177 -6.100 1.00 0.00 C ATOM 1498 OG SER A 93 -10.018 27.583 -6.299 1.00 0.00 O ATOM 0 H SER A 93 -8.213 27.032 -8.110 1.00 0.00 H new ATOM 0 HA SER A 93 -9.107 24.441 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.008 25.804 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.451 25.946 -5.182 1.00 0.00 H new ATOM 0 HG SER A 93 -9.738 27.789 -7.215 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.230 24.550 -8.476 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.171 24.440 -9.581 1.00 0.00 C ATOM 1506 C ILE A 94 -13.517 25.048 -9.183 1.00 0.00 C ATOM 1507 O ILE A 94 -14.009 24.802 -8.083 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.349 22.964 -9.992 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -10.973 22.334 -10.250 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.231 22.851 -11.231 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -10.986 20.822 -10.346 1.00 0.00 C ATOM 0 H ILE A 94 -11.390 23.890 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.775 24.989 -10.435 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.841 22.427 -9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.568 22.741 -11.176 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.295 22.629 -9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.343 21.802 -11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.211 23.278 -11.020 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.770 23.393 -12.057 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.974 20.460 -10.529 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.358 20.401 -9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.635 20.515 -11.166 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.100 25.851 -10.070 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.341 26.560 -9.767 1.00 0.00 C ATOM 1525 C ASP A 95 -16.396 26.255 -10.828 1.00 0.00 C ATOM 1526 O ASP A 95 -16.126 25.538 -11.794 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.097 28.073 -9.700 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.026 28.783 -8.726 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.261 28.711 -8.900 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.525 29.434 -7.786 1.00 0.00 O ATOM 0 H ASP A 95 -13.733 26.027 -11.005 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.700 26.219 -8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.063 28.256 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.226 28.501 -10.694 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.585 26.811 -10.645 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.698 26.586 -11.551 1.00 0.00 C ATOM 1537 C ILE A 96 -19.326 27.918 -11.941 1.00 0.00 C ATOM 1538 O ILE A 96 -19.905 28.608 -11.100 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.784 25.708 -10.901 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.161 24.465 -10.264 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.829 25.315 -11.939 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.100 23.736 -9.332 1.00 0.00 C ATOM 0 H ILE A 96 -17.803 27.430 -9.864 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.307 26.074 -12.431 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.273 26.282 -10.114 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.841 23.783 -11.052 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.267 24.757 -9.713 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.592 24.694 -11.470 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.292 26.213 -12.347 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.351 24.756 -12.743 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.595 22.865 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.401 24.403 -8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.983 23.414 -9.884 1.00 0.00 H new ATOM 1554 N GLU A 97 -19.213 28.277 -13.209 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.752 29.539 -13.689 1.00 0.00 C ATOM 1556 C GLU A 97 -20.662 29.303 -14.886 1.00 0.00 C ATOM 1557 O GLU A 97 -20.586 28.264 -15.534 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.617 30.506 -14.039 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.683 30.763 -12.867 1.00 0.00 C ATOM 1560 CD GLU A 97 -16.720 31.904 -13.105 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -17.104 33.063 -12.855 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -15.569 31.649 -13.508 1.00 0.00 O ATOM 0 H GLU A 97 -18.753 27.713 -13.924 1.00 0.00 H new ATOM 0 HA GLU A 97 -20.347 29.993 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.044 30.101 -14.873 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -19.042 31.452 -14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.277 30.978 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.116 29.856 -12.659 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.533 30.258 -15.161 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.524 30.105 -16.219 1.00 0.00 C ATOM 1571 C TYR A 98 -22.100 30.805 -17.505 1.00 0.00 C ATOM 1572 O TYR A 98 -21.610 31.934 -17.480 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.875 30.652 -15.753 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.765 29.618 -15.102 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.489 29.130 -13.828 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.890 29.134 -15.762 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -25.308 28.186 -13.233 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.711 28.196 -15.173 1.00 0.00 C ATOM 1579 CZ TYR A 98 -26.417 27.725 -13.911 1.00 0.00 C ATOM 1580 OH TYR A 98 -27.239 26.787 -13.329 1.00 0.00 O ATOM 0 H TYR A 98 -21.576 31.150 -14.667 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.611 29.040 -16.435 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.703 31.464 -15.047 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.397 31.079 -16.609 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.623 29.493 -13.296 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -26.124 29.499 -16.751 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -25.080 27.813 -12.245 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -27.581 27.831 -15.698 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.974 26.572 -13.940 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.290 30.120 -18.626 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.063 30.707 -19.939 1.00 0.00 C ATOM 1592 C TYR A 99 -23.391 30.779 -20.685 1.00 0.00 C ATOM 1593 O TYR A 99 -24.326 30.051 -20.354 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.028 29.898 -20.740 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.487 28.515 -21.169 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -21.369 27.426 -20.317 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -22.025 28.302 -22.433 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -21.777 26.163 -20.707 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.435 27.044 -22.833 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.309 25.978 -21.969 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.723 24.723 -22.364 1.00 0.00 O ATOM 0 H TYR A 99 -22.603 29.150 -18.650 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.659 31.712 -19.816 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.755 30.466 -21.629 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.125 29.794 -20.138 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.951 27.567 -19.331 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.124 29.134 -23.114 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -21.680 25.327 -20.030 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -22.852 26.897 -23.818 1.00 0.00 H new ATOM 0 HH TYR A 99 -23.073 24.767 -23.278 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.475 31.648 -21.677 1.00 0.00 N ATOM 1612 CA GLU A 100 -24.727 31.866 -22.390 1.00 0.00 C ATOM 1613 C GLU A 100 -25.018 30.700 -23.336 1.00 0.00 C ATOM 1614 O GLU A 100 -24.108 30.156 -23.964 1.00 0.00 O ATOM 1615 CB GLU A 100 -24.659 33.191 -23.157 1.00 0.00 C ATOM 1616 CG GLU A 100 -25.942 34.009 -23.100 1.00 0.00 C ATOM 1617 CD GLU A 100 -26.882 33.745 -24.261 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -27.607 32.732 -24.233 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -26.916 34.580 -25.194 1.00 0.00 O ATOM 0 H GLU A 100 -22.694 32.214 -22.009 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.543 31.920 -21.670 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -23.841 33.789 -22.755 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -24.419 32.983 -24.200 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -26.461 33.791 -22.166 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -25.687 35.069 -23.083 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.283 30.299 -23.389 1.00 0.00 N ATOM 1627 CA CYS A 101 -26.725 29.232 -24.280 1.00 0.00 C ATOM 1628 C CYS A 101 -26.331 29.555 -25.725 1.00 0.00 C ATOM 1629 O CYS A 101 -26.756 30.564 -26.280 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.254 29.074 -24.179 1.00 0.00 C ATOM 1631 SG CYS A 101 -28.940 27.601 -25.023 1.00 0.00 S ATOM 0 H CYS A 101 -27.027 30.701 -22.819 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.245 28.299 -23.984 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.530 29.032 -23.126 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -28.724 29.964 -24.596 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.782 26.555 -24.267 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.551 28.671 -26.368 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.064 28.900 -27.737 1.00 0.00 C ATOM 1638 C PRO A 102 -26.183 28.849 -28.773 1.00 0.00 C ATOM 1639 O PRO A 102 -25.994 29.196 -29.935 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.073 27.755 -27.956 1.00 0.00 C ATOM 1641 CG PRO A 102 -24.495 26.690 -27.004 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.052 27.403 -25.807 1.00 0.00 C ATOM 0 HA PRO A 102 -24.624 29.890 -27.852 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -24.104 27.398 -28.986 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.050 28.076 -27.760 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -25.244 26.039 -27.454 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -23.651 26.059 -26.725 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -25.850 26.831 -25.334 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.288 27.572 -25.048 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.355 28.427 -28.330 1.00 0.00 N ATOM 1651 CA VAL A 103 -28.523 28.336 -29.195 1.00 0.00 C ATOM 1652 C VAL A 103 -29.191 29.705 -29.325 1.00 0.00 C ATOM 1653 O VAL A 103 -30.031 29.932 -30.200 1.00 0.00 O ATOM 1654 CB VAL A 103 -29.535 27.313 -28.632 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -30.693 27.095 -29.590 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -28.835 26.001 -28.323 1.00 0.00 C ATOM 0 H VAL A 103 -27.525 28.139 -27.366 1.00 0.00 H new ATOM 0 HA VAL A 103 -28.196 28.002 -30.180 1.00 0.00 H new ATOM 0 HB VAL A 103 -29.948 27.716 -27.707 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -31.386 26.370 -29.164 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -31.212 28.039 -29.755 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -30.313 26.719 -30.540 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -29.558 25.288 -27.927 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -28.393 25.601 -29.235 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -28.052 26.172 -27.585 1.00 0.00 H new ATOM 1666 N LYS A 104 -28.798 30.623 -28.455 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.378 31.956 -28.445 1.00 0.00 C ATOM 1668 C LYS A 104 -28.803 32.806 -29.571 1.00 0.00 C ATOM 1669 O LYS A 104 -29.459 33.725 -30.068 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.127 32.640 -27.101 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.880 33.951 -26.944 1.00 0.00 C ATOM 1672 CD LYS A 104 -31.375 33.712 -26.818 1.00 0.00 C ATOM 1673 CE LYS A 104 -32.178 34.640 -27.715 1.00 0.00 C ATOM 1674 NZ LYS A 104 -31.930 34.360 -29.152 1.00 0.00 N ATOM 0 H LYS A 104 -28.080 30.469 -27.747 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.453 31.855 -28.597 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -29.417 31.964 -26.297 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -28.059 32.827 -26.990 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.517 34.479 -26.062 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -29.682 34.592 -27.803 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -31.599 32.677 -27.074 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -31.679 33.857 -25.781 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -33.240 34.526 -27.499 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -31.917 35.675 -27.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -32.467 35.033 -29.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -30.915 34.460 -29.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -32.234 33.391 -29.374 1.00 0.00 H new