USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 Single : A 21 GLN : amide:sc= -0.0417 X(o=-0.042,f=-0.4) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.739 K(o=-0.74,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc=-0.00763 (180deg=-0.111) USER MOD Single : A 39 SER OG : rot 180:sc= -0.018 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -56:sc= 0.0255 USER MOD Single : A 47 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.9) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.56! C(o=-5.6!,f=-5.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.361 K(o=-0.36,f=-0.98) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -0.519 (180deg=-4.02!) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00672) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 159:sc= -2.4 (180deg=-4.5!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.554 8.128 1.984 1.00 0.00 N ATOM 243 CA GLN A 21 6.602 7.043 2.192 1.00 0.00 C ATOM 244 C GLN A 21 6.349 6.284 0.894 1.00 0.00 C ATOM 245 O GLN A 21 6.618 5.087 0.802 1.00 0.00 O ATOM 246 CB GLN A 21 5.284 7.591 2.741 1.00 0.00 C ATOM 247 CG GLN A 21 5.437 8.342 4.054 1.00 0.00 C ATOM 248 CD GLN A 21 4.395 9.430 4.229 1.00 0.00 C ATOM 249 OE1 GLN A 21 4.146 10.219 3.317 1.00 0.00 O ATOM 250 NE2 GLN A 21 3.780 9.477 5.405 1.00 0.00 N ATOM 0 HA GLN A 21 7.031 6.352 2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.841 8.257 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.588 6.764 2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.363 7.637 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.431 8.786 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.018 8.803 6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.069 10.187 5.581 1.00 0.00 H new ATOM 259 N GLU A 22 5.831 6.989 -0.107 1.00 0.00 N ATOM 260 CA GLU A 22 5.541 6.379 -1.400 1.00 0.00 C ATOM 261 C GLU A 22 6.793 5.739 -1.992 1.00 0.00 C ATOM 262 O GLU A 22 6.709 4.820 -2.807 1.00 0.00 O ATOM 263 CB GLU A 22 4.982 7.425 -2.367 1.00 0.00 C ATOM 264 CG GLU A 22 4.162 6.829 -3.499 1.00 0.00 C ATOM 265 CD GLU A 22 2.704 6.638 -3.125 1.00 0.00 C ATOM 266 OE1 GLU A 22 2.238 7.323 -2.190 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.031 5.805 -3.766 1.00 0.00 O ATOM 0 H GLU A 22 5.604 7.982 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 22 4.794 5.600 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.361 8.127 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.809 7.996 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.227 7.479 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.589 5.868 -3.785 1.00 0.00 H new ATOM 274 N LYS A 23 7.955 6.232 -1.578 1.00 0.00 N ATOM 275 CA LYS A 23 9.226 5.710 -2.065 1.00 0.00 C ATOM 276 C LYS A 23 9.626 4.451 -1.302 1.00 0.00 C ATOM 277 O LYS A 23 9.923 3.417 -1.902 1.00 0.00 O ATOM 278 CB LYS A 23 10.322 6.770 -1.932 1.00 0.00 C ATOM 279 CG LYS A 23 10.334 7.779 -3.067 1.00 0.00 C ATOM 280 CD LYS A 23 11.231 8.964 -2.751 1.00 0.00 C ATOM 281 CE LYS A 23 10.935 10.146 -3.661 1.00 0.00 C ATOM 282 NZ LYS A 23 12.071 11.107 -3.709 1.00 0.00 N ATOM 0 H LYS A 23 8.043 6.994 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 23 9.104 5.453 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.191 7.299 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.292 6.274 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.678 7.295 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.319 8.130 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.091 9.260 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.275 8.671 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.722 9.785 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.040 10.659 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.830 11.898 -4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.258 11.471 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.919 10.624 -4.068 1.00 0.00 H new ATOM 296 N LEU A 24 9.630 4.545 0.023 1.00 0.00 N ATOM 297 CA LEU A 24 9.992 3.413 0.869 1.00 0.00 C ATOM 298 C LEU A 24 9.167 2.181 0.512 1.00 0.00 C ATOM 299 O LEU A 24 9.664 1.055 0.550 1.00 0.00 O ATOM 300 CB LEU A 24 9.789 3.767 2.343 1.00 0.00 C ATOM 301 CG LEU A 24 9.880 2.604 3.332 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.268 1.983 3.300 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.534 3.071 4.738 1.00 0.00 C ATOM 0 H LEU A 24 9.387 5.393 0.535 1.00 0.00 H new ATOM 0 HA LEU A 24 11.044 3.185 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.532 4.514 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.810 4.235 2.452 1.00 0.00 H new ATOM 0 HG LEU A 24 9.158 1.843 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.314 1.157 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.477 1.611 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.009 2.735 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.604 2.230 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.231 3.851 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.519 3.467 4.750 1.00 0.00 H new ATOM 315 N VAL A 25 7.903 2.402 0.163 1.00 0.00 N ATOM 316 CA VAL A 25 7.009 1.310 -0.204 1.00 0.00 C ATOM 317 C VAL A 25 7.338 0.774 -1.593 1.00 0.00 C ATOM 318 O VAL A 25 7.547 -0.426 -1.774 1.00 0.00 O ATOM 319 CB VAL A 25 5.536 1.757 -0.174 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.625 0.627 -0.630 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.152 2.232 1.219 1.00 0.00 C ATOM 0 H VAL A 25 7.475 3.327 0.127 1.00 0.00 H new ATOM 0 HA VAL A 25 7.156 0.519 0.532 1.00 0.00 H new ATOM 0 HB VAL A 25 5.414 2.591 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.588 0.962 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.886 0.338 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.748 -0.229 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.108 2.544 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.290 1.419 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.783 3.074 1.503 1.00 0.00 H new ATOM 331 N TYR A 26 7.383 1.671 -2.572 1.00 0.00 N ATOM 332 CA TYR A 26 7.684 1.289 -3.946 1.00 0.00 C ATOM 333 C TYR A 26 8.986 0.496 -4.018 1.00 0.00 C ATOM 334 O TYR A 26 9.119 -0.426 -4.822 1.00 0.00 O ATOM 335 CB TYR A 26 7.781 2.531 -4.834 1.00 0.00 C ATOM 336 CG TYR A 26 8.351 2.251 -6.206 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.563 1.697 -7.207 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.677 2.542 -6.501 1.00 0.00 C ATOM 339 CE1 TYR A 26 8.080 1.439 -8.462 1.00 0.00 C ATOM 340 CE2 TYR A 26 10.202 2.289 -7.754 1.00 0.00 C ATOM 341 CZ TYR A 26 9.400 1.737 -8.731 1.00 0.00 C ATOM 342 OH TYR A 26 9.918 1.483 -9.980 1.00 0.00 O ATOM 0 H TYR A 26 7.215 2.668 -2.439 1.00 0.00 H new ATOM 0 HA TYR A 26 6.873 0.656 -4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.788 2.967 -4.944 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.403 3.275 -4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.529 1.464 -7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.308 2.973 -5.738 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.454 1.006 -9.228 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.235 2.522 -7.967 1.00 0.00 H new ATOM 0 HH TYR A 26 10.860 1.751 -10.004 1.00 0.00 H new ATOM 352 N GLN A 27 9.941 0.861 -3.169 1.00 0.00 N ATOM 353 CA GLN A 27 11.232 0.185 -3.136 1.00 0.00 C ATOM 354 C GLN A 27 11.088 -1.238 -2.605 1.00 0.00 C ATOM 355 O GLN A 27 11.929 -2.097 -2.868 1.00 0.00 O ATOM 356 CB GLN A 27 12.220 0.968 -2.269 1.00 0.00 C ATOM 357 CG GLN A 27 12.698 2.261 -2.908 1.00 0.00 C ATOM 358 CD GLN A 27 13.898 2.057 -3.811 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.029 2.376 -3.443 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.658 1.522 -5.003 1.00 0.00 N ATOM 0 H GLN A 27 9.845 1.621 -2.495 1.00 0.00 H new ATOM 0 HA GLN A 27 11.614 0.136 -4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.749 1.197 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.083 0.337 -2.056 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.884 2.699 -3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.954 2.975 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.705 1.272 -5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.427 1.361 -5.654 1.00 0.00 H new ATOM 369 N ILE A 28 10.017 -1.478 -1.856 1.00 0.00 N ATOM 370 CA ILE A 28 9.763 -2.797 -1.289 1.00 0.00 C ATOM 371 C ILE A 28 9.012 -3.684 -2.276 1.00 0.00 C ATOM 372 O ILE A 28 9.240 -4.893 -2.338 1.00 0.00 O ATOM 373 CB ILE A 28 8.952 -2.701 0.017 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.722 -1.891 1.062 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.634 -4.092 0.546 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.837 -1.287 2.130 1.00 0.00 C ATOM 0 H ILE A 28 9.312 -0.777 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 28 10.735 -3.240 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 28 8.013 -2.189 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.462 -2.535 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.269 -1.093 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.061 -4.008 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.051 -4.638 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.563 -4.627 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.450 -0.727 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.113 -0.617 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.309 -2.082 2.658 1.00 0.00 H new ATOM 388 N ILE A 29 8.118 -3.077 -3.048 1.00 0.00 N ATOM 389 CA ILE A 29 7.336 -3.811 -4.035 1.00 0.00 C ATOM 390 C ILE A 29 8.232 -4.396 -5.122 1.00 0.00 C ATOM 391 O ILE A 29 8.123 -5.573 -5.462 1.00 0.00 O ATOM 392 CB ILE A 29 6.270 -2.913 -4.691 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.353 -2.310 -3.625 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.462 -3.706 -5.706 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.552 -1.126 -4.117 1.00 0.00 C ATOM 0 H ILE A 29 7.917 -2.078 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 29 6.838 -4.622 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 29 6.773 -2.099 -5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.668 -3.079 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.956 -2.001 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.713 -3.058 -6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.127 -4.091 -6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.966 -4.538 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.925 -0.750 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.231 -0.339 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.922 -1.434 -4.952 1.00 0.00 H new ATOM 407 N GLU A 30 9.117 -3.564 -5.661 1.00 0.00 N ATOM 408 CA GLU A 30 10.033 -3.999 -6.709 1.00 0.00 C ATOM 409 C GLU A 30 10.997 -5.059 -6.184 1.00 0.00 C ATOM 410 O GLU A 30 11.496 -5.890 -6.943 1.00 0.00 O ATOM 411 CB GLU A 30 10.819 -2.807 -7.258 1.00 0.00 C ATOM 412 CG GLU A 30 12.036 -2.443 -6.424 1.00 0.00 C ATOM 413 CD GLU A 30 13.218 -3.356 -6.688 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.509 -3.623 -7.872 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.852 -3.803 -5.709 1.00 0.00 O ATOM 0 H GLU A 30 9.219 -2.586 -5.390 1.00 0.00 H new ATOM 0 HA GLU A 30 9.442 -4.437 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.140 -3.032 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.158 -1.943 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.323 -1.413 -6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.775 -2.490 -5.367 1.00 0.00 H new ATOM 422 N ASP A 31 11.253 -5.023 -4.881 1.00 0.00 N ATOM 423 CA ASP A 31 12.157 -5.980 -4.253 1.00 0.00 C ATOM 424 C ASP A 31 11.564 -7.385 -4.279 1.00 0.00 C ATOM 425 O ASP A 31 12.281 -8.369 -4.456 1.00 0.00 O ATOM 426 CB ASP A 31 12.452 -5.564 -2.811 1.00 0.00 C ATOM 427 CG ASP A 31 13.813 -6.037 -2.339 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.829 -5.513 -2.840 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.862 -6.932 -1.469 1.00 0.00 O ATOM 0 H ASP A 31 10.848 -4.342 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 31 13.089 -5.988 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.400 -4.478 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.682 -5.969 -2.154 1.00 0.00 H new ATOM 434 N ALA A 32 10.249 -7.471 -4.101 1.00 0.00 N ATOM 435 CA ALA A 32 9.560 -8.755 -4.105 1.00 0.00 C ATOM 436 C ALA A 32 9.871 -9.541 -5.374 1.00 0.00 C ATOM 437 O ALA A 32 10.015 -10.762 -5.340 1.00 0.00 O ATOM 438 CB ALA A 32 8.059 -8.548 -3.965 1.00 0.00 C ATOM 0 H ALA A 32 9.640 -6.666 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 32 9.917 -9.334 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.556 -9.515 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.849 -8.034 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.695 -7.946 -4.798 1.00 0.00 H new ATOM 444 N GLY A 33 9.974 -8.832 -6.494 1.00 0.00 N ATOM 445 CA GLY A 33 10.267 -9.481 -7.759 1.00 0.00 C ATOM 446 C GLY A 33 9.014 -9.809 -8.546 1.00 0.00 C ATOM 447 O GLY A 33 7.957 -9.223 -8.316 1.00 0.00 O ATOM 0 H GLY A 33 9.860 -7.820 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.908 -8.833 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.826 -10.398 -7.573 1.00 0.00 H new ATOM 451 N ASN A 34 9.132 -10.748 -9.479 1.00 0.00 N ATOM 452 CA ASN A 34 8.000 -11.152 -10.306 1.00 0.00 C ATOM 453 C ASN A 34 6.884 -11.742 -9.448 1.00 0.00 C ATOM 454 O ASN A 34 5.704 -11.473 -9.675 1.00 0.00 O ATOM 455 CB ASN A 34 8.446 -12.172 -11.355 1.00 0.00 C ATOM 456 CG ASN A 34 8.358 -13.599 -10.848 1.00 0.00 C ATOM 457 OD1 ASN A 34 9.147 -14.018 -10.001 1.00 0.00 O ATOM 458 ND2 ASN A 34 7.395 -14.352 -11.367 1.00 0.00 N ATOM 0 H ASN A 34 10.000 -11.244 -9.682 1.00 0.00 H new ATOM 0 HA ASN A 34 7.616 -10.266 -10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.827 -12.067 -12.246 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.472 -11.958 -11.653 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.287 -15.320 -11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.764 -13.962 -12.067 1.00 0.00 H new ATOM 465 N LYS A 35 7.266 -12.547 -8.462 1.00 0.00 N ATOM 466 CA LYS A 35 6.300 -13.174 -7.569 1.00 0.00 C ATOM 467 C LYS A 35 5.281 -12.156 -7.068 1.00 0.00 C ATOM 468 O LYS A 35 4.074 -12.389 -7.128 1.00 0.00 O ATOM 469 CB LYS A 35 7.017 -13.820 -6.381 1.00 0.00 C ATOM 470 CG LYS A 35 7.714 -15.125 -6.728 1.00 0.00 C ATOM 471 CD LYS A 35 6.714 -16.233 -7.010 1.00 0.00 C ATOM 472 CE LYS A 35 7.295 -17.602 -6.693 1.00 0.00 C ATOM 473 NZ LYS A 35 7.395 -17.836 -5.226 1.00 0.00 N ATOM 0 H LYS A 35 8.239 -12.780 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 35 5.772 -13.945 -8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.752 -13.119 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.293 -14.004 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.351 -14.978 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.364 -15.421 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.814 -16.072 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.415 -16.197 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.671 -18.374 -7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.284 -17.690 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.515 -18.853 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.213 -17.317 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.527 -17.501 -4.761 1.00 0.00 H new ATOM 487 N GLY A 36 5.775 -11.024 -6.574 1.00 0.00 N ATOM 488 CA GLY A 36 4.893 -9.986 -6.072 1.00 0.00 C ATOM 489 C GLY A 36 4.968 -9.842 -4.565 1.00 0.00 C ATOM 490 O GLY A 36 5.824 -10.447 -3.918 1.00 0.00 O ATOM 0 H GLY A 36 6.770 -10.808 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.153 -9.036 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.867 -10.213 -6.362 1.00 0.00 H new ATOM 494 N ILE A 37 4.070 -9.039 -4.004 1.00 0.00 N ATOM 495 CA ILE A 37 4.039 -8.817 -2.563 1.00 0.00 C ATOM 496 C ILE A 37 2.622 -8.523 -2.083 1.00 0.00 C ATOM 497 O ILE A 37 1.825 -7.919 -2.802 1.00 0.00 O ATOM 498 CB ILE A 37 4.960 -7.653 -2.153 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.055 -7.563 -0.628 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.451 -6.344 -2.736 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.034 -6.515 -0.145 1.00 0.00 C ATOM 0 H ILE A 37 3.355 -8.532 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 37 4.396 -9.734 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 37 5.958 -7.841 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.068 -7.341 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.351 -8.535 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.113 -5.531 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.430 -6.414 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.445 -6.148 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.050 -6.507 0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.031 -6.747 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.728 -5.535 -0.511 1.00 0.00 H new ATOM 513 N TRP A 38 2.315 -8.951 -0.864 1.00 0.00 N ATOM 514 CA TRP A 38 0.994 -8.732 -0.287 1.00 0.00 C ATOM 515 C TRP A 38 0.924 -7.379 0.414 1.00 0.00 C ATOM 516 O TRP A 38 1.827 -7.013 1.167 1.00 0.00 O ATOM 517 CB TRP A 38 0.654 -9.850 0.700 1.00 0.00 C ATOM 518 CG TRP A 38 -0.818 -10.016 0.925 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.827 -9.457 0.194 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.446 -10.792 1.951 1.00 0.00 C ATOM 521 NE1 TRP A 38 -3.045 -9.838 0.704 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.838 -10.658 1.782 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.968 -11.588 2.996 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.754 -11.290 2.619 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.878 -12.214 3.826 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.258 -12.063 3.633 1.00 0.00 C ATOM 0 H TRP A 38 2.963 -9.452 -0.256 1.00 0.00 H new ATOM 0 HA TRP A 38 0.265 -8.739 -1.097 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.066 -10.789 0.330 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.139 -9.643 1.654 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.688 -8.810 -0.660 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.955 -9.556 0.339 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.094 -11.711 3.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.818 -11.174 2.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.520 -12.830 4.637 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.944 -12.567 4.298 1.00 0.00 H new ATOM 537 N SER A 39 -0.153 -6.642 0.163 1.00 0.00 N ATOM 538 CA SER A 39 -0.338 -5.328 0.768 1.00 0.00 C ATOM 539 C SER A 39 0.146 -5.323 2.214 1.00 0.00 C ATOM 540 O SER A 39 0.734 -4.347 2.680 1.00 0.00 O ATOM 541 CB SER A 39 -1.811 -4.920 0.710 1.00 0.00 C ATOM 542 OG SER A 39 -2.583 -5.661 1.638 1.00 0.00 O ATOM 0 H SER A 39 -0.911 -6.932 -0.455 1.00 0.00 H new ATOM 0 HA SER A 39 0.254 -4.608 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.905 -3.855 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.196 -5.079 -0.297 1.00 0.00 H new ATOM 0 HG SER A 39 -3.520 -5.380 1.582 1.00 0.00 H new ATOM 548 N ARG A 40 -0.105 -6.421 2.920 1.00 0.00 N ATOM 549 CA ARG A 40 0.303 -6.544 4.314 1.00 0.00 C ATOM 550 C ARG A 40 1.824 -6.547 4.436 1.00 0.00 C ATOM 551 O ARG A 40 2.400 -5.736 5.161 1.00 0.00 O ATOM 552 CB ARG A 40 -0.271 -7.823 4.925 1.00 0.00 C ATOM 553 CG ARG A 40 -1.787 -7.817 5.039 1.00 0.00 C ATOM 554 CD ARG A 40 -2.355 -9.227 4.998 1.00 0.00 C ATOM 555 NE ARG A 40 -3.815 -9.230 5.031 1.00 0.00 N ATOM 556 CZ ARG A 40 -4.525 -8.972 6.124 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.913 -8.692 7.266 1.00 0.00 N ATOM 558 NH2 ARG A 40 -5.851 -8.994 6.075 1.00 0.00 N ATOM 0 H ARG A 40 -0.589 -7.238 2.549 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.087 -5.684 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.036 -8.675 4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.159 -7.967 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.081 -7.332 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.212 -7.229 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.012 -9.730 4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.972 -9.797 5.845 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.317 -9.442 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.894 -8.674 7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.461 -8.494 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.325 -9.209 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.396 -8.796 6.914 1.00 0.00 H new ATOM 572 N ASP A 41 2.468 -7.466 3.724 1.00 0.00 N ATOM 573 CA ASP A 41 3.922 -7.575 3.752 1.00 0.00 C ATOM 574 C ASP A 41 4.570 -6.194 3.790 1.00 0.00 C ATOM 575 O ASP A 41 5.622 -6.007 4.402 1.00 0.00 O ATOM 576 CB ASP A 41 4.420 -8.352 2.533 1.00 0.00 C ATOM 577 CG ASP A 41 4.272 -9.851 2.703 1.00 0.00 C ATOM 578 OD1 ASP A 41 3.365 -10.277 3.447 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.064 -10.599 2.092 1.00 0.00 O ATOM 0 H ASP A 41 2.006 -8.146 3.120 1.00 0.00 H new ATOM 0 HA ASP A 41 4.204 -8.114 4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.865 -8.033 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.468 -8.111 2.355 1.00 0.00 H new ATOM 584 N VAL A 42 3.935 -5.230 3.131 1.00 0.00 N ATOM 585 CA VAL A 42 4.449 -3.866 3.089 1.00 0.00 C ATOM 586 C VAL A 42 4.373 -3.207 4.462 1.00 0.00 C ATOM 587 O VAL A 42 5.378 -2.733 4.991 1.00 0.00 O ATOM 588 CB VAL A 42 3.673 -3.004 2.075 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.287 -1.617 1.973 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.641 -3.684 0.714 1.00 0.00 C ATOM 0 H VAL A 42 3.064 -5.368 2.619 1.00 0.00 H new ATOM 0 HA VAL A 42 5.491 -3.931 2.777 1.00 0.00 H new ATOM 0 HB VAL A 42 2.647 -2.895 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.726 -1.023 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.253 -1.132 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.323 -1.701 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.089 -3.062 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.660 -3.824 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.151 -4.654 0.803 1.00 0.00 H new ATOM 600 N ARG A 43 3.174 -3.183 5.035 1.00 0.00 N ATOM 601 CA ARG A 43 2.966 -2.582 6.347 1.00 0.00 C ATOM 602 C ARG A 43 4.187 -2.788 7.239 1.00 0.00 C ATOM 603 O ARG A 43 4.667 -1.851 7.877 1.00 0.00 O ATOM 604 CB ARG A 43 1.726 -3.180 7.015 1.00 0.00 C ATOM 605 CG ARG A 43 0.443 -2.426 6.704 1.00 0.00 C ATOM 606 CD ARG A 43 -0.597 -2.624 7.794 1.00 0.00 C ATOM 607 NE ARG A 43 -0.091 -2.243 9.110 1.00 0.00 N ATOM 608 CZ ARG A 43 -0.624 -2.662 10.252 1.00 0.00 C ATOM 609 NH1 ARG A 43 -1.674 -3.471 10.240 1.00 0.00 N ATOM 610 NH2 ARG A 43 -0.106 -2.272 11.410 1.00 0.00 N ATOM 0 H ARG A 43 2.332 -3.573 4.611 1.00 0.00 H new ATOM 0 HA ARG A 43 2.815 -1.511 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.615 -4.216 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.876 -3.194 8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.661 -1.363 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.041 -2.767 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.483 -2.033 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.907 -3.669 7.814 1.00 0.00 H new ATOM 0 HE ARG A 43 0.716 -1.621 9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.075 -3.773 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.081 -3.791 11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.702 -1.650 11.423 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.516 -2.594 12.287 1.00 0.00 H new ATOM 624 N TYR A 44 4.682 -4.020 7.279 1.00 0.00 N ATOM 625 CA TYR A 44 5.845 -4.350 8.095 1.00 0.00 C ATOM 626 C TYR A 44 7.110 -3.720 7.520 1.00 0.00 C ATOM 627 O TYR A 44 7.766 -2.907 8.173 1.00 0.00 O ATOM 628 CB TYR A 44 6.014 -5.867 8.188 1.00 0.00 C ATOM 629 CG TYR A 44 4.705 -6.620 8.247 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.063 -7.030 7.085 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.109 -6.923 9.465 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.866 -7.717 7.133 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.913 -7.612 9.524 1.00 0.00 C ATOM 634 CZ TYR A 44 2.295 -8.006 8.355 1.00 0.00 C ATOM 635 OH TYR A 44 1.104 -8.692 8.408 1.00 0.00 O ATOM 0 H TYR A 44 4.296 -4.806 6.756 1.00 0.00 H new ATOM 0 HA TYR A 44 5.683 -3.947 9.095 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.584 -6.214 7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.601 -6.105 9.075 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.508 -6.807 6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.589 -6.614 10.382 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.380 -8.026 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.464 -7.841 10.479 1.00 0.00 H new ATOM 0 HH TYR A 44 0.839 -8.815 9.343 1.00 0.00 H new ATOM 645 N LYS A 45 7.447 -4.100 6.293 1.00 0.00 N ATOM 646 CA LYS A 45 8.632 -3.573 5.627 1.00 0.00 C ATOM 647 C LYS A 45 8.614 -2.048 5.611 1.00 0.00 C ATOM 648 O LYS A 45 9.481 -1.401 6.198 1.00 0.00 O ATOM 649 CB LYS A 45 8.718 -4.107 4.195 1.00 0.00 C ATOM 650 CG LYS A 45 8.750 -5.624 4.113 1.00 0.00 C ATOM 651 CD LYS A 45 9.887 -6.203 4.937 1.00 0.00 C ATOM 652 CE LYS A 45 11.242 -5.755 4.411 1.00 0.00 C ATOM 653 NZ LYS A 45 12.357 -6.535 5.014 1.00 0.00 N ATOM 0 H LYS A 45 6.916 -4.772 5.739 1.00 0.00 H new ATOM 0 HA LYS A 45 9.508 -3.903 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.864 -3.739 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.614 -3.707 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.801 -6.028 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.860 -5.931 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.779 -5.893 5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.831 -7.291 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.266 -5.867 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.383 -4.696 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.263 -6.199 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.351 -6.409 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.237 -7.543 4.788 1.00 0.00 H new ATOM 667 N SER A 46 7.620 -1.479 4.935 1.00 0.00 N ATOM 668 CA SER A 46 7.491 -0.030 4.841 1.00 0.00 C ATOM 669 C SER A 46 7.397 0.599 6.229 1.00 0.00 C ATOM 670 O SER A 46 7.780 1.750 6.428 1.00 0.00 O ATOM 671 CB SER A 46 6.257 0.341 4.016 1.00 0.00 C ATOM 672 OG SER A 46 5.064 0.038 4.718 1.00 0.00 O ATOM 0 H SER A 46 6.893 -2.000 4.445 1.00 0.00 H new ATOM 0 HA SER A 46 8.381 0.358 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.282 1.404 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.273 -0.199 3.069 1.00 0.00 H new ATOM 0 HG SER A 46 5.061 -0.911 4.963 1.00 0.00 H new ATOM 678 N ASN A 47 6.883 -0.168 7.185 1.00 0.00 N ATOM 679 CA ASN A 47 6.737 0.312 8.554 1.00 0.00 C ATOM 680 C ASN A 47 5.679 1.409 8.636 1.00 0.00 C ATOM 681 O ASN A 47 5.746 2.289 9.495 1.00 0.00 O ATOM 682 CB ASN A 47 8.074 0.838 9.077 1.00 0.00 C ATOM 683 CG ASN A 47 8.111 0.920 10.591 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.131 0.602 11.265 1.00 0.00 O ATOM 685 ND2 ASN A 47 9.245 1.349 11.133 1.00 0.00 N ATOM 0 H ASN A 47 6.561 -1.124 7.037 1.00 0.00 H new ATOM 0 HA ASN A 47 6.416 -0.525 9.174 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.877 0.187 8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.262 1.826 8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.329 1.426 12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.032 1.602 10.536 1.00 0.00 H new ATOM 692 N LEU A 48 4.702 1.349 7.737 1.00 0.00 N ATOM 693 CA LEU A 48 3.629 2.336 7.707 1.00 0.00 C ATOM 694 C LEU A 48 2.285 1.689 8.025 1.00 0.00 C ATOM 695 O LEU A 48 2.095 0.483 7.865 1.00 0.00 O ATOM 696 CB LEU A 48 3.570 3.014 6.337 1.00 0.00 C ATOM 697 CG LEU A 48 4.606 4.110 6.085 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.662 4.463 4.607 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.290 5.344 6.918 1.00 0.00 C ATOM 0 H LEU A 48 4.631 0.627 7.020 1.00 0.00 H new ATOM 0 HA LEU A 48 3.839 3.087 8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.687 2.249 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.577 3.445 6.209 1.00 0.00 H new ATOM 0 HG LEU A 48 5.584 3.734 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.405 5.245 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.936 3.579 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.685 4.819 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.037 6.114 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.303 5.721 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.303 5.082 7.976 1.00 0.00 H new ATOM 711 N PRO A 49 1.327 2.508 8.485 1.00 0.00 N ATOM 712 CA PRO A 49 -0.017 2.038 8.832 1.00 0.00 C ATOM 713 C PRO A 49 -0.822 1.626 7.604 1.00 0.00 C ATOM 714 O PRO A 49 -0.562 2.091 6.493 1.00 0.00 O ATOM 715 CB PRO A 49 -0.655 3.255 9.506 1.00 0.00 C ATOM 716 CG PRO A 49 0.076 4.426 8.945 1.00 0.00 C ATOM 717 CD PRO A 49 1.483 3.956 8.700 1.00 0.00 C ATOM 0 HA PRO A 49 0.012 1.150 9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.722 3.313 9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.552 3.206 10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.388 4.769 8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.060 5.266 9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.925 4.446 7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.131 4.168 9.550 1.00 0.00 H new ATOM 725 N LEU A 50 -1.801 0.752 7.810 1.00 0.00 N ATOM 726 CA LEU A 50 -2.646 0.278 6.720 1.00 0.00 C ATOM 727 C LEU A 50 -3.160 1.444 5.882 1.00 0.00 C ATOM 728 O LEU A 50 -3.125 1.403 4.652 1.00 0.00 O ATOM 729 CB LEU A 50 -3.824 -0.526 7.273 1.00 0.00 C ATOM 730 CG LEU A 50 -4.594 -1.372 6.259 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.250 -0.485 5.212 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.671 -2.386 5.599 1.00 0.00 C ATOM 0 H LEU A 50 -2.029 0.357 8.722 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.043 -0.367 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.452 -1.185 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.522 0.167 7.743 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.377 -1.915 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.793 -1.105 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.943 0.201 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.484 0.086 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.237 -2.979 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.865 -1.863 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.249 -3.043 6.360 1.00 0.00 H new ATOM 744 N THR A 51 -3.637 2.486 6.557 1.00 0.00 N ATOM 745 CA THR A 51 -4.158 3.664 5.876 1.00 0.00 C ATOM 746 C THR A 51 -3.115 4.264 4.940 1.00 0.00 C ATOM 747 O THR A 51 -3.454 4.946 3.974 1.00 0.00 O ATOM 748 CB THR A 51 -4.608 4.741 6.881 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.348 5.764 6.205 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.409 5.358 7.587 1.00 0.00 C ATOM 0 H THR A 51 -3.673 2.537 7.575 1.00 0.00 H new ATOM 0 HA THR A 51 -5.020 3.337 5.294 1.00 0.00 H new ATOM 0 HB THR A 51 -5.244 4.266 7.628 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.632 6.444 6.851 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.752 6.116 8.292 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.865 4.582 8.125 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.751 5.819 6.851 1.00 0.00 H new ATOM 758 N GLU A 52 -1.844 4.004 5.232 1.00 0.00 N ATOM 759 CA GLU A 52 -0.752 4.519 4.415 1.00 0.00 C ATOM 760 C GLU A 52 -0.431 3.563 3.270 1.00 0.00 C ATOM 761 O GLU A 52 -0.262 3.984 2.125 1.00 0.00 O ATOM 762 CB GLU A 52 0.495 4.741 5.273 1.00 0.00 C ATOM 763 CG GLU A 52 0.519 6.089 5.975 1.00 0.00 C ATOM 764 CD GLU A 52 0.705 7.245 5.011 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.713 7.246 4.274 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.157 8.148 4.994 1.00 0.00 O ATOM 0 H GLU A 52 -1.546 3.440 6.028 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.068 5.472 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.557 3.950 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.380 4.653 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.413 6.225 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.326 6.099 6.708 1.00 0.00 H new ATOM 773 N ILE A 53 -0.349 2.275 3.588 1.00 0.00 N ATOM 774 CA ILE A 53 -0.049 1.260 2.586 1.00 0.00 C ATOM 775 C ILE A 53 -1.149 1.186 1.532 1.00 0.00 C ATOM 776 O ILE A 53 -0.880 0.942 0.356 1.00 0.00 O ATOM 777 CB ILE A 53 0.125 -0.130 3.228 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.505 -0.246 3.877 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.071 -1.222 2.187 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.722 0.728 5.014 1.00 0.00 C ATOM 0 H ILE A 53 -0.486 1.910 4.531 1.00 0.00 H new ATOM 0 HA ILE A 53 0.887 1.552 2.111 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.632 -0.254 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.638 -1.262 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.270 -0.082 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.055 -2.198 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.074 -1.148 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.665 -1.103 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.721 0.589 5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.621 1.748 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.980 0.550 5.792 1.00 0.00 H new ATOM 792 N ASN A 54 -2.388 1.400 1.961 1.00 0.00 N ATOM 793 CA ASN A 54 -3.529 1.359 1.054 1.00 0.00 C ATOM 794 C ASN A 54 -3.475 2.515 0.060 1.00 0.00 C ATOM 795 O ASN A 54 -3.558 2.311 -1.152 1.00 0.00 O ATOM 796 CB ASN A 54 -4.838 1.412 1.845 1.00 0.00 C ATOM 797 CG ASN A 54 -5.341 0.032 2.224 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.666 -0.971 1.995 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.532 -0.023 2.808 1.00 0.00 N ATOM 0 H ASN A 54 -2.628 1.604 2.931 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.486 0.423 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.689 2.002 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.597 1.922 1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.922 -0.923 3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.057 0.835 2.978 1.00 0.00 H new ATOM 806 N LYS A 55 -3.336 3.729 0.580 1.00 0.00 N ATOM 807 CA LYS A 55 -3.268 4.919 -0.260 1.00 0.00 C ATOM 808 C LYS A 55 -1.995 4.921 -1.099 1.00 0.00 C ATOM 809 O LYS A 55 -1.993 5.386 -2.240 1.00 0.00 O ATOM 810 CB LYS A 55 -3.325 6.182 0.603 1.00 0.00 C ATOM 811 CG LYS A 55 -2.097 6.379 1.474 1.00 0.00 C ATOM 812 CD LYS A 55 -1.955 7.825 1.920 1.00 0.00 C ATOM 813 CE LYS A 55 -0.502 8.187 2.185 1.00 0.00 C ATOM 814 NZ LYS A 55 0.221 8.532 0.931 1.00 0.00 N ATOM 0 H LYS A 55 -3.268 3.915 1.581 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.125 4.907 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.443 7.050 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.208 6.137 1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.163 5.732 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.206 6.079 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.361 8.485 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.542 7.987 2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.458 9.031 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.003 7.350 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.208 8.773 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.201 7.718 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.240 9.347 0.477 1.00 0.00 H new ATOM 828 N ILE A 56 -0.915 4.398 -0.529 1.00 0.00 N ATOM 829 CA ILE A 56 0.364 4.338 -1.226 1.00 0.00 C ATOM 830 C ILE A 56 0.336 3.292 -2.335 1.00 0.00 C ATOM 831 O ILE A 56 0.635 3.589 -3.493 1.00 0.00 O ATOM 832 CB ILE A 56 1.518 4.015 -0.259 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.762 5.190 0.689 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.783 3.682 -1.037 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.453 4.796 1.976 1.00 0.00 C ATOM 0 H ILE A 56 -0.900 4.010 0.414 1.00 0.00 H new ATOM 0 HA ILE A 56 0.533 5.323 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 56 1.241 3.145 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.365 5.940 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.807 5.658 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.590 3.456 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.601 2.817 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.065 4.535 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.593 5.679 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.841 4.069 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.423 4.355 1.748 1.00 0.00 H new ATOM 847 N LEU A 57 -0.026 2.065 -1.975 1.00 0.00 N ATOM 848 CA LEU A 57 -0.095 0.973 -2.940 1.00 0.00 C ATOM 849 C LEU A 57 -0.889 1.387 -4.174 1.00 0.00 C ATOM 850 O LEU A 57 -0.478 1.129 -5.306 1.00 0.00 O ATOM 851 CB LEU A 57 -0.732 -0.260 -2.298 1.00 0.00 C ATOM 852 CG LEU A 57 0.185 -1.108 -1.416 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.541 -2.355 -0.935 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.452 -1.484 -2.170 1.00 0.00 C ATOM 0 H LEU A 57 -0.276 1.802 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 57 0.921 0.729 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.581 0.066 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.128 -0.894 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 57 0.467 -0.517 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.127 -2.946 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.418 -2.065 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.853 -2.949 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.093 -2.087 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.190 -2.056 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.983 -0.578 -2.464 1.00 0.00 H new ATOM 866 N LYS A 58 -2.029 2.032 -3.949 1.00 0.00 N ATOM 867 CA LYS A 58 -2.880 2.486 -5.042 1.00 0.00 C ATOM 868 C LYS A 58 -2.206 3.605 -5.830 1.00 0.00 C ATOM 869 O LYS A 58 -1.978 3.480 -7.032 1.00 0.00 O ATOM 870 CB LYS A 58 -4.227 2.970 -4.500 1.00 0.00 C ATOM 871 CG LYS A 58 -5.379 2.775 -5.470 1.00 0.00 C ATOM 872 CD LYS A 58 -6.045 1.422 -5.279 1.00 0.00 C ATOM 873 CE LYS A 58 -7.351 1.330 -6.053 1.00 0.00 C ATOM 874 NZ LYS A 58 -8.500 1.862 -5.269 1.00 0.00 N ATOM 0 H LYS A 58 -2.385 2.252 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.046 1.643 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.449 2.439 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.149 4.028 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.114 3.567 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.013 2.860 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.369 0.633 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.236 1.256 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.260 1.886 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.543 0.290 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.371 1.781 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.603 1.315 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.329 2.861 -5.037 1.00 0.00 H new ATOM 888 N ASN A 59 -1.887 4.697 -5.142 1.00 0.00 N ATOM 889 CA ASN A 59 -1.237 5.837 -5.778 1.00 0.00 C ATOM 890 C ASN A 59 -0.267 5.376 -6.862 1.00 0.00 C ATOM 891 O ASN A 59 -0.360 5.801 -8.015 1.00 0.00 O ATOM 892 CB ASN A 59 -0.492 6.673 -4.735 1.00 0.00 C ATOM 893 CG ASN A 59 -1.361 7.766 -4.143 1.00 0.00 C ATOM 894 OD1 ASN A 59 -2.154 8.393 -4.846 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.214 8.001 -2.844 1.00 0.00 N ATOM 0 H ASN A 59 -2.068 4.816 -4.145 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.009 6.450 -6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.138 6.021 -3.936 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.389 7.122 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.771 8.726 -2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.545 7.457 -2.300 1.00 0.00 H new ATOM 902 N LEU A 60 0.662 4.505 -6.486 1.00 0.00 N ATOM 903 CA LEU A 60 1.649 3.984 -7.426 1.00 0.00 C ATOM 904 C LEU A 60 0.969 3.373 -8.647 1.00 0.00 C ATOM 905 O LEU A 60 1.330 3.672 -9.784 1.00 0.00 O ATOM 906 CB LEU A 60 2.531 2.938 -6.742 1.00 0.00 C ATOM 907 CG LEU A 60 3.372 3.435 -5.566 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.848 2.265 -4.719 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.556 4.252 -6.064 1.00 0.00 C ATOM 0 H LEU A 60 0.753 4.144 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 60 2.272 4.814 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.893 2.128 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.202 2.513 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 60 2.749 4.078 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.445 2.638 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.986 1.721 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.455 1.597 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.143 4.597 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.180 3.633 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.194 5.112 -6.628 1.00 0.00 H new ATOM 921 N GLU A 61 -0.019 2.518 -8.401 1.00 0.00 N ATOM 922 CA GLU A 61 -0.750 1.866 -9.482 1.00 0.00 C ATOM 923 C GLU A 61 -1.272 2.893 -10.482 1.00 0.00 C ATOM 924 O GLU A 61 -1.559 2.564 -11.633 1.00 0.00 O ATOM 925 CB GLU A 61 -1.915 1.049 -8.919 1.00 0.00 C ATOM 926 CG GLU A 61 -1.502 -0.314 -8.388 1.00 0.00 C ATOM 927 CD GLU A 61 -2.690 -1.202 -8.075 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.638 -0.716 -7.423 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.673 -2.383 -8.482 1.00 0.00 O ATOM 0 H GLU A 61 -0.331 2.261 -7.465 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.063 1.197 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.389 1.614 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.664 0.914 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.867 -0.809 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.904 -0.183 -7.486 1.00 0.00 H new ATOM 936 N SER A 62 -1.393 4.139 -10.034 1.00 0.00 N ATOM 937 CA SER A 62 -1.884 5.214 -10.888 1.00 0.00 C ATOM 938 C SER A 62 -0.728 5.932 -11.577 1.00 0.00 C ATOM 939 O SER A 62 -0.890 6.502 -12.657 1.00 0.00 O ATOM 940 CB SER A 62 -2.702 6.212 -10.067 1.00 0.00 C ATOM 941 OG SER A 62 -3.668 6.865 -10.873 1.00 0.00 O ATOM 0 H SER A 62 -1.158 4.429 -9.085 1.00 0.00 H new ATOM 0 HA SER A 62 -2.523 4.774 -11.653 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.199 5.693 -9.247 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.037 6.951 -9.620 1.00 0.00 H new ATOM 0 HG SER A 62 -4.179 7.497 -10.325 1.00 0.00 H new ATOM 947 N LYS A 63 0.441 5.900 -10.945 1.00 0.00 N ATOM 948 CA LYS A 63 1.627 6.546 -11.496 1.00 0.00 C ATOM 949 C LYS A 63 2.350 5.619 -12.467 1.00 0.00 C ATOM 950 O LYS A 63 3.496 5.865 -12.841 1.00 0.00 O ATOM 951 CB LYS A 63 2.575 6.962 -10.369 1.00 0.00 C ATOM 952 CG LYS A 63 1.918 7.827 -9.308 1.00 0.00 C ATOM 953 CD LYS A 63 2.659 7.745 -7.984 1.00 0.00 C ATOM 954 CE LYS A 63 2.479 9.014 -7.165 1.00 0.00 C ATOM 955 NZ LYS A 63 2.541 8.744 -5.702 1.00 0.00 N ATOM 0 H LYS A 63 0.592 5.433 -10.051 1.00 0.00 H new ATOM 0 HA LYS A 63 1.307 7.434 -12.040 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.979 6.067 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.418 7.504 -10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.891 8.863 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.885 7.510 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.296 6.889 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.720 7.578 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.253 9.733 -7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.520 9.471 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.713 9.167 -5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.544 7.717 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.410 9.159 -5.309 1.00 0.00 H new ATOM 969 N LYS A 64 1.671 4.551 -12.875 1.00 0.00 N ATOM 970 CA LYS A 64 2.247 3.588 -13.805 1.00 0.00 C ATOM 971 C LYS A 64 3.549 3.012 -13.257 1.00 0.00 C ATOM 972 O LYS A 64 4.506 2.794 -14.001 1.00 0.00 O ATOM 973 CB LYS A 64 2.501 4.248 -15.163 1.00 0.00 C ATOM 974 CG LYS A 64 1.259 4.868 -15.779 1.00 0.00 C ATOM 975 CD LYS A 64 0.468 3.850 -16.583 1.00 0.00 C ATOM 976 CE LYS A 64 -0.608 4.520 -17.425 1.00 0.00 C ATOM 977 NZ LYS A 64 -0.039 5.165 -18.640 1.00 0.00 N ATOM 0 H LYS A 64 0.721 4.331 -12.576 1.00 0.00 H new ATOM 0 HA LYS A 64 1.535 2.773 -13.931 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.262 5.019 -15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.904 3.504 -15.850 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.628 5.280 -14.991 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.547 5.698 -16.424 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.144 3.292 -17.231 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.007 3.130 -15.907 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.351 3.780 -17.721 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.125 5.269 -16.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.810 5.551 -19.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.601 5.935 -18.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.491 4.460 -19.192 1.00 0.00 H new ATOM 991 N LEU A 65 3.577 2.766 -11.951 1.00 0.00 N ATOM 992 CA LEU A 65 4.762 2.213 -11.303 1.00 0.00 C ATOM 993 C LEU A 65 4.530 0.763 -10.891 1.00 0.00 C ATOM 994 O LEU A 65 5.444 -0.061 -10.945 1.00 0.00 O ATOM 995 CB LEU A 65 5.133 3.050 -10.078 1.00 0.00 C ATOM 996 CG LEU A 65 5.302 4.551 -10.316 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.416 5.292 -8.993 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.522 4.819 -11.186 1.00 0.00 C ATOM 0 H LEU A 65 2.794 2.940 -11.321 1.00 0.00 H new ATOM 0 HA LEU A 65 5.584 2.241 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.364 2.907 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.064 2.661 -9.666 1.00 0.00 H new ATOM 0 HG LEU A 65 4.419 4.918 -10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.536 6.359 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.513 5.127 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.281 4.922 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.627 5.892 -11.345 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.414 4.437 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.400 4.320 -12.147 1.00 0.00 H new ATOM 1010 N ILE A 66 3.303 0.458 -10.483 1.00 0.00 N ATOM 1011 CA ILE A 66 2.951 -0.894 -10.066 1.00 0.00 C ATOM 1012 C ILE A 66 1.555 -1.272 -10.548 1.00 0.00 C ATOM 1013 O ILE A 66 0.847 -0.456 -11.138 1.00 0.00 O ATOM 1014 CB ILE A 66 3.012 -1.044 -8.534 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.887 -0.242 -7.876 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.367 -0.592 -8.011 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.600 -0.661 -6.451 1.00 0.00 C ATOM 0 H ILE A 66 2.536 1.128 -10.432 1.00 0.00 H new ATOM 0 HA ILE A 66 3.682 -1.564 -10.518 1.00 0.00 H new ATOM 0 HB ILE A 66 2.879 -2.096 -8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.150 0.816 -7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.979 -0.352 -8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.394 -0.704 -6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.152 -1.202 -8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.527 0.454 -8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.792 -0.050 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.306 -1.710 -6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.495 -0.524 -5.844 1.00 0.00 H new ATOM 1029 N LYS A 67 1.162 -2.515 -10.290 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.151 -3.002 -10.694 1.00 0.00 C ATOM 1031 C LYS A 67 -0.593 -4.167 -9.813 1.00 0.00 C ATOM 1032 O LYS A 67 0.235 -4.868 -9.234 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.127 -3.438 -12.160 1.00 0.00 C ATOM 1034 CG LYS A 67 0.899 -4.517 -12.458 1.00 0.00 C ATOM 1035 CD LYS A 67 0.678 -5.135 -13.828 1.00 0.00 C ATOM 1036 CE LYS A 67 1.500 -6.402 -14.008 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.426 -6.918 -15.403 1.00 0.00 N ATOM 0 H LYS A 67 1.735 -3.204 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.866 -2.188 -10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.116 -3.802 -12.438 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.080 -2.569 -12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.901 -4.091 -12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.844 -5.293 -11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.380 -5.365 -13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.945 -4.414 -14.601 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.540 -6.200 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.144 -7.167 -13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.999 -7.782 -15.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.437 -7.135 -15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.790 -6.198 -16.059 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.904 -4.368 -9.720 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.455 -5.449 -8.913 1.00 0.00 C ATOM 1053 C ALA A 68 -2.508 -6.752 -9.705 1.00 0.00 C ATOM 1054 O ALA A 68 -2.963 -6.777 -10.848 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.842 -5.079 -8.410 1.00 0.00 C ATOM 0 H ALA A 68 -2.603 -3.796 -10.194 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.799 -5.600 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.241 -5.896 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.780 -4.177 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.501 -4.898 -9.259 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.039 -7.833 -9.089 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.033 -9.139 -9.736 1.00 0.00 C ATOM 1063 C VAL A 69 -2.727 -10.184 -8.869 1.00 0.00 C ATOM 1064 O VAL A 69 -2.675 -10.123 -7.641 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.598 -9.609 -10.037 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.596 -11.060 -10.495 1.00 0.00 C ATOM 1067 CG2 VAL A 69 0.048 -8.712 -11.082 1.00 0.00 C ATOM 0 H VAL A 69 -1.658 -7.829 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.576 -9.030 -10.675 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.013 -9.541 -9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.427 -11.374 -10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.017 -11.690 -9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.196 -11.157 -11.400 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.062 -9.059 -11.283 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.536 -8.746 -12.002 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.082 -7.687 -10.711 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.247 -8.704 -4.475 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.804 -8.722 -4.679 1.00 0.00 C ATOM 1225 C VAL A 79 -0.360 -7.570 -5.573 1.00 0.00 C ATOM 1226 O VAL A 79 -1.014 -7.255 -6.568 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.342 -10.051 -5.305 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.177 -10.118 -5.357 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.909 -11.230 -4.530 1.00 0.00 C ATOM 0 HA VAL A 79 -0.345 -8.613 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.719 -10.101 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.484 -11.064 -5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.557 -9.293 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.579 -10.045 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.572 -12.161 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.564 -11.186 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.998 -11.189 -4.550 1.00 0.00 H new ATOM 1239 N TYR A 80 0.755 -6.944 -5.213 1.00 0.00 N ATOM 1240 CA TYR A 80 1.286 -5.825 -5.982 1.00 0.00 C ATOM 1241 C TYR A 80 2.673 -6.148 -6.529 1.00 0.00 C ATOM 1242 O TYR A 80 3.420 -6.924 -5.935 1.00 0.00 O ATOM 1243 CB TYR A 80 1.348 -4.567 -5.114 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.011 -4.047 -4.703 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.775 -3.278 -5.573 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.531 -4.325 -3.445 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.017 -2.801 -5.201 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -1.772 -3.852 -3.065 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.511 -3.090 -3.946 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.748 -2.617 -3.572 1.00 0.00 O ATOM 0 H TYR A 80 1.309 -7.193 -4.393 1.00 0.00 H new ATOM 0 HA TYR A 80 0.617 -5.646 -6.824 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.931 -4.782 -4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.877 -3.785 -5.659 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.391 -3.050 -6.556 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.045 -4.921 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.598 -2.205 -5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.162 -4.078 -2.083 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.948 -2.911 -2.659 1.00 0.00 H new ATOM 1260 N MET A 81 3.009 -5.547 -7.665 1.00 0.00 N ATOM 1261 CA MET A 81 4.307 -5.769 -8.292 1.00 0.00 C ATOM 1262 C MET A 81 4.628 -4.657 -9.285 1.00 0.00 C ATOM 1263 O MET A 81 3.806 -3.772 -9.529 1.00 0.00 O ATOM 1264 CB MET A 81 4.329 -7.124 -9.001 1.00 0.00 C ATOM 1265 CG MET A 81 3.796 -7.074 -10.424 1.00 0.00 C ATOM 1266 SD MET A 81 4.026 -8.630 -11.307 1.00 0.00 S ATOM 1267 CE MET A 81 3.203 -9.772 -10.199 1.00 0.00 C ATOM 0 H MET A 81 2.401 -4.903 -8.170 1.00 0.00 H new ATOM 0 HA MET A 81 5.066 -5.764 -7.510 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.352 -7.499 -9.018 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.738 -7.836 -8.425 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.735 -6.827 -10.402 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.298 -6.274 -10.968 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.928 -10.674 -10.745 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.875 -10.033 -9.381 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.305 -9.304 -9.796 1.00 0.00 H new ATOM 1277 N LEU A 82 5.827 -4.707 -9.855 1.00 0.00 N ATOM 1278 CA LEU A 82 6.257 -3.703 -10.823 1.00 0.00 C ATOM 1279 C LEU A 82 5.321 -3.671 -12.027 1.00 0.00 C ATOM 1280 O LEU A 82 4.886 -4.713 -12.516 1.00 0.00 O ATOM 1281 CB LEU A 82 7.687 -3.989 -11.282 1.00 0.00 C ATOM 1282 CG LEU A 82 8.801 -3.387 -10.424 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.155 -3.934 -10.848 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.784 -1.868 -10.517 1.00 0.00 C ATOM 0 H LEU A 82 6.519 -5.432 -9.664 1.00 0.00 H new ATOM 0 HA LEU A 82 6.226 -2.728 -10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.827 -5.069 -11.317 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.801 -3.619 -12.301 1.00 0.00 H new ATOM 0 HG LEU A 82 8.627 -3.669 -9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.936 -3.495 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.163 -5.017 -10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.338 -3.682 -11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.583 -1.457 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.933 -1.565 -11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.824 -1.493 -10.164 1.00 0.00 H new ATOM 1296 N TYR A 83 5.016 -2.468 -12.500 1.00 0.00 N ATOM 1297 CA TYR A 83 4.131 -2.299 -13.647 1.00 0.00 C ATOM 1298 C TYR A 83 4.838 -2.689 -14.942 1.00 0.00 C ATOM 1299 O TYR A 83 4.215 -3.198 -15.873 1.00 0.00 O ATOM 1300 CB TYR A 83 3.645 -0.852 -13.734 1.00 0.00 C ATOM 1301 CG TYR A 83 2.627 -0.620 -14.828 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.524 -1.454 -14.966 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.767 0.434 -15.722 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.592 -1.246 -15.965 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.839 0.651 -16.723 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.754 -0.192 -16.840 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.173 0.019 -17.835 1.00 0.00 O ATOM 0 H TYR A 83 5.368 -1.595 -12.107 1.00 0.00 H new ATOM 0 HA TYR A 83 3.272 -2.956 -13.511 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.209 -0.566 -12.777 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.502 -0.199 -13.902 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.393 -2.279 -14.281 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.616 1.096 -15.633 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.258 -1.905 -16.060 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.963 1.476 -17.409 1.00 0.00 H new ATOM 0 HH TYR A 83 0.087 0.802 -18.364 1.00 0.00 H new ATOM 1317 N ASN A 84 6.144 -2.445 -14.992 1.00 0.00 N ATOM 1318 CA ASN A 84 6.937 -2.769 -16.172 1.00 0.00 C ATOM 1319 C ASN A 84 6.998 -4.279 -16.388 1.00 0.00 C ATOM 1320 O ASN A 84 6.921 -4.759 -17.520 1.00 0.00 O ATOM 1321 CB ASN A 84 8.352 -2.205 -16.033 1.00 0.00 C ATOM 1322 CG ASN A 84 9.362 -2.963 -16.872 1.00 0.00 C ATOM 1323 OD1 ASN A 84 9.790 -4.059 -16.508 1.00 0.00 O ATOM 1324 ND2 ASN A 84 9.749 -2.381 -18.001 1.00 0.00 N ATOM 0 H ASN A 84 6.675 -2.024 -14.229 1.00 0.00 H new ATOM 0 HA ASN A 84 6.456 -2.314 -17.038 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.353 -1.156 -16.329 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.653 -2.241 -14.986 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.428 -2.843 -18.606 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.368 -1.472 -18.263 1.00 0.00 H new