USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -178:sc= -1.16 (180deg=-1.24) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 82:sc= 0.027 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 91:sc= 1.19 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 6.721 -3.171 -8.856 1.00 0.00 N ATOM 245 CA CYS A 16 5.578 -3.573 -8.054 1.00 0.00 C ATOM 246 C CYS A 16 6.086 -4.404 -6.874 1.00 0.00 C ATOM 247 O CYS A 16 6.156 -3.913 -5.749 1.00 0.00 O ATOM 248 CB CYS A 16 4.544 -4.335 -8.885 1.00 0.00 C ATOM 249 SG CYS A 16 2.933 -3.468 -8.829 1.00 0.00 S ATOM 0 HA CYS A 16 5.065 -2.687 -7.679 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.885 -4.419 -9.917 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.434 -5.350 -8.502 1.00 0.00 H new ATOM 0 HG CYS A 16 2.063 -4.122 -9.540 1.00 0.00 H new ATOM 255 N VAL A 17 6.429 -5.649 -7.173 1.00 0.00 N ATOM 256 CA VAL A 17 6.929 -6.553 -6.151 1.00 0.00 C ATOM 257 C VAL A 17 8.184 -7.258 -6.670 1.00 0.00 C ATOM 258 O VAL A 17 9.198 -7.319 -5.977 1.00 0.00 O ATOM 259 CB VAL A 17 5.827 -7.526 -5.729 1.00 0.00 C ATOM 260 CG1 VAL A 17 4.592 -6.774 -5.229 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.465 -8.475 -6.873 1.00 0.00 C ATOM 0 H VAL A 17 6.370 -6.052 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 17 7.214 -5.999 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 17 6.210 -8.127 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.824 -7.490 -4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.863 -6.160 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.208 -6.136 -6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.679 -9.156 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.112 -7.897 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.345 -9.049 -7.162 1.00 0.00 H new ATOM 271 N SER A 18 8.073 -7.774 -7.886 1.00 0.00 N ATOM 272 CA SER A 18 9.186 -8.473 -8.506 1.00 0.00 C ATOM 273 C SER A 18 9.627 -9.642 -7.622 1.00 0.00 C ATOM 274 O SER A 18 9.083 -9.845 -6.538 1.00 0.00 O ATOM 275 CB SER A 18 10.360 -7.525 -8.757 1.00 0.00 C ATOM 276 OG SER A 18 11.307 -8.078 -9.668 1.00 0.00 O ATOM 0 H SER A 18 7.230 -7.722 -8.458 1.00 0.00 H new ATOM 0 HA SER A 18 8.854 -8.859 -9.470 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.985 -6.581 -9.152 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.854 -7.301 -7.812 1.00 0.00 H new ATOM 0 HG SER A 18 12.040 -7.442 -9.804 1.00 0.00 H new ATOM 282 N GLU A 19 10.609 -10.380 -8.119 1.00 0.00 N ATOM 283 CA GLU A 19 11.129 -11.523 -7.389 1.00 0.00 C ATOM 284 C GLU A 19 11.755 -11.069 -6.069 1.00 0.00 C ATOM 285 O GLU A 19 11.898 -11.863 -5.140 1.00 0.00 O ATOM 286 CB GLU A 19 12.139 -12.301 -8.235 1.00 0.00 C ATOM 287 CG GLU A 19 11.783 -13.789 -8.283 1.00 0.00 C ATOM 288 CD GLU A 19 12.611 -14.517 -9.344 1.00 0.00 C ATOM 289 OE1 GLU A 19 13.820 -14.269 -9.464 1.00 0.00 O ATOM 290 OE2 GLU A 19 11.956 -15.368 -10.059 1.00 0.00 O ATOM 0 H GLU A 19 11.058 -10.208 -9.019 1.00 0.00 H new ATOM 0 HA GLU A 19 10.300 -12.194 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.160 -11.896 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.139 -12.176 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.959 -14.240 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.722 -13.906 -8.502 1.00 0.00 H new ATOM 297 N LYS A 20 12.112 -9.794 -6.027 1.00 0.00 N ATOM 298 CA LYS A 20 12.719 -9.225 -4.836 1.00 0.00 C ATOM 299 C LYS A 20 11.676 -9.158 -3.719 1.00 0.00 C ATOM 300 O LYS A 20 11.760 -9.898 -2.740 1.00 0.00 O ATOM 301 CB LYS A 20 13.365 -7.875 -5.156 1.00 0.00 C ATOM 302 CG LYS A 20 14.099 -7.315 -3.936 1.00 0.00 C ATOM 303 CD LYS A 20 15.592 -7.150 -4.223 1.00 0.00 C ATOM 304 CE LYS A 20 16.430 -7.515 -2.996 1.00 0.00 C ATOM 305 NZ LYS A 20 17.806 -6.987 -3.132 1.00 0.00 N ATOM 0 H LYS A 20 11.992 -9.138 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 20 13.528 -9.863 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.064 -7.990 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.600 -7.169 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.670 -6.352 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.960 -7.982 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.876 -7.783 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.798 -6.120 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.966 -7.109 -2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.460 -8.598 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.361 -7.244 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.252 -7.394 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.773 -5.951 -3.222 1.00 0.00 H new ATOM 319 N LEU A 21 10.715 -8.264 -3.903 1.00 0.00 N ATOM 320 CA LEU A 21 9.656 -8.090 -2.923 1.00 0.00 C ATOM 321 C LEU A 21 8.947 -9.428 -2.703 1.00 0.00 C ATOM 322 O LEU A 21 8.599 -9.772 -1.574 1.00 0.00 O ATOM 323 CB LEU A 21 8.717 -6.958 -3.344 1.00 0.00 C ATOM 324 CG LEU A 21 7.878 -6.333 -2.228 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.538 -4.876 -2.549 1.00 0.00 C ATOM 326 CD2 LEU A 21 6.626 -7.166 -1.950 1.00 0.00 C ATOM 0 H LEU A 21 10.648 -7.652 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 21 10.072 -7.787 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.313 -6.172 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.041 -7.339 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 21 8.472 -6.332 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.941 -4.455 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.459 -4.303 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.972 -4.831 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.048 -6.699 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.019 -7.222 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.918 -8.171 -1.646 1.00 0.00 H new ATOM 338 N LEU A 22 8.754 -10.147 -3.799 1.00 0.00 N ATOM 339 CA LEU A 22 8.093 -11.439 -3.740 1.00 0.00 C ATOM 340 C LEU A 22 8.833 -12.341 -2.749 1.00 0.00 C ATOM 341 O LEU A 22 8.272 -12.739 -1.729 1.00 0.00 O ATOM 342 CB LEU A 22 7.965 -12.040 -5.141 1.00 0.00 C ATOM 343 CG LEU A 22 7.468 -13.486 -5.208 1.00 0.00 C ATOM 344 CD1 LEU A 22 6.397 -13.648 -6.288 1.00 0.00 C ATOM 345 CD2 LEU A 22 8.633 -14.458 -5.405 1.00 0.00 C ATOM 0 H LEU A 22 9.044 -9.859 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 22 7.073 -11.329 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.286 -11.416 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.939 -11.989 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 22 7.002 -13.732 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.061 -14.685 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.551 -12.998 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.814 -13.377 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.252 -15.478 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.150 -14.223 -6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.328 -14.366 -4.571 1.00 0.00 H new ATOM 357 N ARG A 23 10.080 -12.636 -3.084 1.00 0.00 N ATOM 358 CA ARG A 23 10.902 -13.483 -2.237 1.00 0.00 C ATOM 359 C ARG A 23 10.967 -12.912 -0.819 1.00 0.00 C ATOM 360 O ARG A 23 11.068 -13.662 0.151 1.00 0.00 O ATOM 361 CB ARG A 23 12.322 -13.608 -2.794 1.00 0.00 C ATOM 362 CG ARG A 23 13.176 -14.527 -1.919 1.00 0.00 C ATOM 363 CD ARG A 23 14.437 -14.974 -2.661 1.00 0.00 C ATOM 364 NE ARG A 23 14.315 -16.396 -3.055 1.00 0.00 N ATOM 365 CZ ARG A 23 14.473 -17.433 -2.204 1.00 0.00 C ATOM 366 NH1 ARG A 23 14.759 -17.215 -0.903 1.00 0.00 N ATOM 367 NH2 ARG A 23 14.342 -18.663 -2.665 1.00 0.00 N ATOM 0 H ARG A 23 10.541 -12.303 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 23 10.445 -14.472 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.284 -14.000 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.783 -12.622 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.454 -14.007 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.593 -15.400 -1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.587 -14.355 -3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.311 -14.838 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 23 14.098 -16.606 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.857 -16.261 -0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.877 -18.004 -0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.125 -18.818 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.458 -19.458 -2.037 1.00 0.00 H new ATOM 381 N LYS A 24 10.906 -11.591 -0.744 1.00 0.00 N ATOM 382 CA LYS A 24 10.956 -10.911 0.539 1.00 0.00 C ATOM 383 C LYS A 24 9.833 -11.439 1.435 1.00 0.00 C ATOM 384 O LYS A 24 10.091 -11.950 2.524 1.00 0.00 O ATOM 385 CB LYS A 24 10.925 -9.394 0.344 1.00 0.00 C ATOM 386 CG LYS A 24 12.080 -8.722 1.089 1.00 0.00 C ATOM 387 CD LYS A 24 12.241 -7.265 0.650 1.00 0.00 C ATOM 388 CE LYS A 24 12.944 -6.442 1.731 1.00 0.00 C ATOM 389 NZ LYS A 24 12.659 -5.000 1.552 1.00 0.00 N ATOM 0 H LYS A 24 10.822 -10.973 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 24 11.897 -11.124 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.987 -9.159 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.976 -8.997 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.898 -8.764 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.005 -9.267 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.815 -7.222 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.262 -6.835 0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.610 -6.765 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.019 -6.615 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.144 -4.456 2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.999 -4.692 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.634 -4.838 1.618 1.00 0.00 H new ATOM 403 N THR A 25 8.611 -11.296 0.944 1.00 0.00 N ATOM 404 CA THR A 25 7.448 -11.751 1.686 1.00 0.00 C ATOM 405 C THR A 25 6.767 -12.909 0.953 1.00 0.00 C ATOM 406 O THR A 25 6.216 -12.723 -0.131 1.00 0.00 O ATOM 407 CB THR A 25 6.529 -10.549 1.910 1.00 0.00 C ATOM 408 OG1 THR A 25 7.148 -9.832 2.975 1.00 0.00 O ATOM 409 CG2 THR A 25 5.165 -10.951 2.475 1.00 0.00 C ATOM 0 H THR A 25 8.401 -10.871 0.041 1.00 0.00 H new ATOM 0 HA THR A 25 7.732 -12.147 2.661 1.00 0.00 H new ATOM 0 HB THR A 25 6.389 -10.019 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.618 -9.035 3.184 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.552 -10.060 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.668 -11.628 1.780 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.301 -11.452 3.434 1.00 0.00 H new ATOM 417 N ARG A 26 6.827 -14.078 1.574 1.00 0.00 N ATOM 418 CA ARG A 26 6.223 -15.265 0.994 1.00 0.00 C ATOM 419 C ARG A 26 6.503 -16.486 1.872 1.00 0.00 C ATOM 420 O ARG A 26 7.600 -17.041 1.838 1.00 0.00 O ATOM 421 CB ARG A 26 6.761 -15.524 -0.415 1.00 0.00 C ATOM 422 CG ARG A 26 5.637 -15.957 -1.360 1.00 0.00 C ATOM 423 CD ARG A 26 6.204 -16.599 -2.627 1.00 0.00 C ATOM 424 NE ARG A 26 5.150 -17.378 -3.315 1.00 0.00 N ATOM 425 CZ ARG A 26 4.802 -18.640 -2.982 1.00 0.00 C ATOM 426 NH1 ARG A 26 5.424 -19.276 -1.967 1.00 0.00 N ATOM 427 NH2 ARG A 26 3.846 -19.241 -3.664 1.00 0.00 N ATOM 0 H ARG A 26 7.285 -14.228 2.473 1.00 0.00 H new ATOM 0 HA ARG A 26 5.148 -15.095 0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.236 -14.621 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.529 -16.297 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.982 -16.664 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.028 -15.093 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.591 -15.828 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.041 -17.250 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 26 4.656 -16.934 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.162 -18.804 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.156 -20.229 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.382 -18.753 -4.430 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.571 -20.194 -3.425 1.00 0.00 H new ATOM 441 N GLU A 27 5.492 -16.869 2.638 1.00 0.00 N ATOM 442 CA GLU A 27 5.616 -18.014 3.523 1.00 0.00 C ATOM 443 C GLU A 27 4.351 -18.169 4.370 1.00 0.00 C ATOM 444 O GLU A 27 3.624 -19.151 4.233 1.00 0.00 O ATOM 445 CB GLU A 27 6.857 -17.891 4.409 1.00 0.00 C ATOM 446 CG GLU A 27 7.719 -19.152 4.324 1.00 0.00 C ATOM 447 CD GLU A 27 8.848 -18.977 3.306 1.00 0.00 C ATOM 448 OE1 GLU A 27 9.754 -18.122 3.638 1.00 0.00 O ATOM 449 OE2 GLU A 27 8.841 -19.634 2.254 1.00 0.00 O ATOM 0 H GLU A 27 4.583 -16.406 2.664 1.00 0.00 H new ATOM 0 HA GLU A 27 5.734 -18.909 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.443 -17.025 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.555 -17.722 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.140 -19.376 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.099 -20.003 4.042 1.00 0.00 H new ATOM 456 N SER A 28 4.128 -17.184 5.228 1.00 0.00 N ATOM 457 CA SER A 28 2.964 -17.199 6.098 1.00 0.00 C ATOM 458 C SER A 28 1.704 -16.874 5.292 1.00 0.00 C ATOM 459 O SER A 28 1.792 -16.468 4.134 1.00 0.00 O ATOM 460 CB SER A 28 3.125 -16.208 7.252 1.00 0.00 C ATOM 461 OG SER A 28 3.212 -16.866 8.513 1.00 0.00 O ATOM 0 H SER A 28 4.733 -16.371 5.339 1.00 0.00 H new ATOM 0 HA SER A 28 2.869 -18.198 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.022 -15.609 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.280 -15.520 7.260 1.00 0.00 H new ATOM 0 HG SER A 28 3.316 -16.199 9.224 1.00 0.00 H new ATOM 467 N PRO A 29 0.532 -17.071 5.953 1.00 0.00 N ATOM 468 CA PRO A 29 -0.743 -16.803 5.310 1.00 0.00 C ATOM 469 C PRO A 29 -1.007 -15.299 5.220 1.00 0.00 C ATOM 470 O PRO A 29 -0.336 -14.506 5.880 1.00 0.00 O ATOM 471 CB PRO A 29 -1.771 -17.536 6.157 1.00 0.00 C ATOM 472 CG PRO A 29 -1.099 -17.798 7.495 1.00 0.00 C ATOM 473 CD PRO A 29 0.391 -17.551 7.324 1.00 0.00 C ATOM 0 HA PRO A 29 -0.775 -17.151 4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.672 -16.936 6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.074 -18.470 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.509 -17.142 8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.281 -18.822 7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.755 -16.815 8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.965 -18.464 7.485 1.00 0.00 H new ATOM 481 N LEU A 30 -1.984 -14.950 4.396 1.00 0.00 N ATOM 482 CA LEU A 30 -2.344 -13.555 4.210 1.00 0.00 C ATOM 483 C LEU A 30 -3.524 -13.211 5.122 1.00 0.00 C ATOM 484 O LEU A 30 -3.773 -12.041 5.406 1.00 0.00 O ATOM 485 CB LEU A 30 -2.604 -13.261 2.731 1.00 0.00 C ATOM 486 CG LEU A 30 -3.998 -13.617 2.211 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.294 -15.105 2.408 1.00 0.00 C ATOM 488 CD2 LEU A 30 -5.066 -12.730 2.856 1.00 0.00 C ATOM 0 H LEU A 30 -2.538 -15.610 3.849 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.517 -12.907 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.433 -12.199 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.867 -13.803 2.138 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.022 -13.424 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.291 -15.331 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.557 -15.697 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.245 -15.348 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.048 -13.003 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.050 -12.869 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.862 -11.685 2.621 1.00 0.00 H new ATOM 500 N VAL A 31 -4.219 -14.253 5.555 1.00 0.00 N ATOM 501 CA VAL A 31 -5.366 -14.076 6.428 1.00 0.00 C ATOM 502 C VAL A 31 -5.000 -13.108 7.555 1.00 0.00 C ATOM 503 O VAL A 31 -5.716 -12.139 7.804 1.00 0.00 O ATOM 504 CB VAL A 31 -5.848 -15.435 6.941 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.175 -15.373 8.435 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.051 -15.929 6.136 1.00 0.00 C ATOM 0 H VAL A 31 -4.009 -15.222 5.317 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.199 -13.636 5.879 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.038 -16.151 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.515 -16.352 8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.283 -15.086 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.961 -14.637 8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.374 -16.896 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.867 -15.212 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.770 -16.031 5.088 1.00 0.00 H new ATOM 516 N PRO A 32 -3.855 -13.410 8.223 1.00 0.00 N ATOM 517 CA PRO A 32 -3.384 -12.578 9.317 1.00 0.00 C ATOM 518 C PRO A 32 -2.775 -11.276 8.793 1.00 0.00 C ATOM 519 O PRO A 32 -3.323 -10.197 9.013 1.00 0.00 O ATOM 520 CB PRO A 32 -2.384 -13.442 10.067 1.00 0.00 C ATOM 521 CG PRO A 32 -1.985 -14.549 9.105 1.00 0.00 C ATOM 522 CD PRO A 32 -2.981 -14.549 7.956 1.00 0.00 C ATOM 0 HA PRO A 32 -4.189 -12.259 9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.516 -12.858 10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.827 -13.854 10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.973 -14.386 8.733 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.987 -15.514 9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.477 -14.445 6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.545 -15.481 7.921 1.00 0.00 H new ATOM 530 N ILE A 33 -1.649 -11.420 8.109 1.00 0.00 N ATOM 531 CA ILE A 33 -0.960 -10.269 7.552 1.00 0.00 C ATOM 532 C ILE A 33 -1.988 -9.292 6.978 1.00 0.00 C ATOM 533 O ILE A 33 -1.859 -8.081 7.146 1.00 0.00 O ATOM 534 CB ILE A 33 0.096 -10.716 6.538 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.211 -11.511 7.222 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.642 -9.522 5.753 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.003 -12.331 6.203 1.00 0.00 C ATOM 0 H ILE A 33 -1.197 -12.316 7.928 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.416 -9.737 8.332 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.381 -11.383 5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.881 -10.829 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.782 -12.174 7.973 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.390 -9.867 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.173 -9.035 5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.098 -8.811 6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.789 -12.886 6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.334 -13.029 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.451 -11.663 5.467 1.00 0.00 H new ATOM 549 N GLY A 34 -2.986 -9.856 6.313 1.00 0.00 N ATOM 550 CA GLY A 34 -4.036 -9.050 5.714 1.00 0.00 C ATOM 551 C GLY A 34 -4.878 -8.360 6.789 1.00 0.00 C ATOM 552 O GLY A 34 -5.015 -7.138 6.786 1.00 0.00 O ATOM 0 H GLY A 34 -3.089 -10.861 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.594 -8.301 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.675 -9.680 5.095 1.00 0.00 H new ATOM 556 N LEU A 35 -5.422 -9.174 7.682 1.00 0.00 N ATOM 557 CA LEU A 35 -6.247 -8.658 8.760 1.00 0.00 C ATOM 558 C LEU A 35 -5.545 -7.461 9.406 1.00 0.00 C ATOM 559 O LEU A 35 -6.071 -6.349 9.397 1.00 0.00 O ATOM 560 CB LEU A 35 -6.598 -9.772 9.748 1.00 0.00 C ATOM 561 CG LEU A 35 -7.904 -9.594 10.525 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.111 -9.952 9.656 1.00 0.00 C ATOM 563 CD2 LEU A 35 -7.879 -10.393 11.829 1.00 0.00 C ATOM 0 H LEU A 35 -5.307 -10.188 7.681 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.199 -8.298 8.371 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.650 -10.713 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.782 -9.865 10.465 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.001 -8.542 10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.027 -9.817 10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.134 -9.303 8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.034 -10.991 9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.819 -10.249 12.362 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.747 -11.452 11.605 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.053 -10.049 12.451 1.00 0.00 H new ATOM 575 N GLY A 36 -4.368 -7.731 9.952 1.00 0.00 N ATOM 576 CA GLY A 36 -3.589 -6.691 10.601 1.00 0.00 C ATOM 577 C GLY A 36 -3.471 -5.455 9.707 1.00 0.00 C ATOM 578 O GLY A 36 -3.946 -4.378 10.064 1.00 0.00 O ATOM 0 H GLY A 36 -3.936 -8.655 9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.058 -6.417 11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.595 -7.070 10.836 1.00 0.00 H new ATOM 582 N GLY A 37 -2.834 -5.652 8.561 1.00 0.00 N ATOM 583 CA GLY A 37 -2.648 -4.567 7.613 1.00 0.00 C ATOM 584 C GLY A 37 -3.976 -3.874 7.304 1.00 0.00 C ATOM 585 O GLY A 37 -3.993 -2.737 6.836 1.00 0.00 O ATOM 0 H GLY A 37 -2.441 -6.546 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.942 -3.843 8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.213 -4.955 6.692 1.00 0.00 H new ATOM 589 N CYS A 38 -5.058 -4.589 7.578 1.00 0.00 N ATOM 590 CA CYS A 38 -6.388 -4.057 7.335 1.00 0.00 C ATOM 591 C CYS A 38 -6.712 -3.051 8.441 1.00 0.00 C ATOM 592 O CYS A 38 -6.783 -1.849 8.189 1.00 0.00 O ATOM 593 CB CYS A 38 -7.435 -5.170 7.251 1.00 0.00 C ATOM 594 SG CYS A 38 -8.576 -4.851 5.856 1.00 0.00 S ATOM 0 H CYS A 38 -5.040 -5.532 7.966 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.411 -3.553 6.369 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.944 -6.134 7.117 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.995 -5.225 8.185 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.460 -5.802 5.792 1.00 0.00 H new ATOM 600 N LEU A 39 -6.901 -3.579 9.641 1.00 0.00 N ATOM 601 CA LEU A 39 -7.216 -2.741 10.786 1.00 0.00 C ATOM 602 C LEU A 39 -6.374 -1.465 10.726 1.00 0.00 C ATOM 603 O LEU A 39 -6.868 -0.377 11.019 1.00 0.00 O ATOM 604 CB LEU A 39 -7.048 -3.528 12.088 1.00 0.00 C ATOM 605 CG LEU A 39 -7.926 -3.083 13.259 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.486 -4.289 14.014 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.166 -2.129 14.183 1.00 0.00 C ATOM 0 H LEU A 39 -6.842 -4.577 9.846 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.262 -2.435 10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.255 -4.578 11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.005 -3.463 12.397 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.777 -2.532 12.858 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.106 -3.944 14.841 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.088 -4.895 13.337 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.663 -4.889 14.403 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.813 -1.828 15.007 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.284 -2.632 14.579 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.859 -1.246 13.622 1.00 0.00 H new ATOM 619 N VAL A 40 -5.118 -1.640 10.344 1.00 0.00 N ATOM 620 CA VAL A 40 -4.203 -0.516 10.242 1.00 0.00 C ATOM 621 C VAL A 40 -4.646 0.394 9.095 1.00 0.00 C ATOM 622 O VAL A 40 -4.817 1.598 9.283 1.00 0.00 O ATOM 623 CB VAL A 40 -2.768 -1.022 10.083 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.815 0.128 9.750 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.308 -1.770 11.336 1.00 0.00 C ATOM 0 H VAL A 40 -4.712 -2.544 10.101 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.225 0.078 11.156 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.751 -1.724 9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.802 -0.259 9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.125 0.599 8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.839 0.864 10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.285 -2.119 11.196 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.349 -1.100 12.195 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.962 -2.624 11.510 1.00 0.00 H new ATOM 635 N VAL A 41 -4.821 -0.215 7.932 1.00 0.00 N ATOM 636 CA VAL A 41 -5.241 0.525 6.754 1.00 0.00 C ATOM 637 C VAL A 41 -6.521 1.300 7.075 1.00 0.00 C ATOM 638 O VAL A 41 -6.507 2.528 7.142 1.00 0.00 O ATOM 639 CB VAL A 41 -5.400 -0.426 5.567 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.251 0.209 4.465 1.00 0.00 C ATOM 641 CG2 VAL A 41 -4.036 -0.859 5.025 1.00 0.00 C ATOM 0 H VAL A 41 -4.679 -1.214 7.780 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.482 1.253 6.469 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.919 -1.317 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.348 -0.488 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.240 0.444 4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.772 1.124 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.177 -1.535 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.479 0.019 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.478 -1.370 5.810 1.00 0.00 H new ATOM 651 N ALA A 42 -7.597 0.550 7.264 1.00 0.00 N ATOM 652 CA ALA A 42 -8.883 1.151 7.575 1.00 0.00 C ATOM 653 C ALA A 42 -8.679 2.288 8.579 1.00 0.00 C ATOM 654 O ALA A 42 -9.151 3.403 8.363 1.00 0.00 O ATOM 655 CB ALA A 42 -9.836 0.075 8.098 1.00 0.00 C ATOM 0 H ALA A 42 -7.605 -0.468 7.208 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.334 1.578 6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.801 0.526 8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.969 -0.694 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.418 -0.374 8.999 1.00 0.00 H new ATOM 661 N ALA A 43 -7.977 1.966 9.655 1.00 0.00 N ATOM 662 CA ALA A 43 -7.706 2.946 10.693 1.00 0.00 C ATOM 663 C ALA A 43 -7.313 4.275 10.043 1.00 0.00 C ATOM 664 O ALA A 43 -8.021 5.271 10.182 1.00 0.00 O ATOM 665 CB ALA A 43 -6.621 2.412 11.629 1.00 0.00 C ATOM 0 H ALA A 43 -7.587 1.040 9.831 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.597 3.124 11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.418 3.147 12.408 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.961 1.483 12.087 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.710 2.224 11.061 1.00 0.00 H new ATOM 671 N TYR A 44 -6.186 4.246 9.347 1.00 0.00 N ATOM 672 CA TYR A 44 -5.691 5.435 8.676 1.00 0.00 C ATOM 673 C TYR A 44 -6.789 6.087 7.833 1.00 0.00 C ATOM 674 O TYR A 44 -7.149 7.241 8.061 1.00 0.00 O ATOM 675 CB TYR A 44 -4.568 4.961 7.751 1.00 0.00 C ATOM 676 CG TYR A 44 -3.188 4.934 8.410 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.708 6.057 9.053 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.423 3.786 8.362 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.409 6.031 9.673 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.124 3.761 8.983 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.681 4.884 9.608 1.00 0.00 C ATOM 682 OH TYR A 44 0.546 4.860 10.194 1.00 0.00 O ATOM 0 H TYR A 44 -5.602 3.418 9.233 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.351 6.172 9.403 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.807 3.960 7.390 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.530 5.614 6.879 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.307 6.955 9.091 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.798 2.907 7.859 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.021 6.903 10.179 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.515 2.870 8.953 1.00 0.00 H new ATOM 0 HH TYR A 44 0.951 3.976 10.069 1.00 0.00 H new ATOM 692 N ARG A 45 -7.291 5.319 6.877 1.00 0.00 N ATOM 693 CA ARG A 45 -8.341 5.807 6.000 1.00 0.00 C ATOM 694 C ARG A 45 -9.368 6.613 6.797 1.00 0.00 C ATOM 695 O ARG A 45 -9.508 7.819 6.595 1.00 0.00 O ATOM 696 CB ARG A 45 -9.050 4.650 5.293 1.00 0.00 C ATOM 697 CG ARG A 45 -9.241 4.951 3.805 1.00 0.00 C ATOM 698 CD ARG A 45 -10.716 4.855 3.411 1.00 0.00 C ATOM 699 NE ARG A 45 -10.949 3.631 2.613 1.00 0.00 N ATOM 700 CZ ARG A 45 -12.114 3.340 1.996 1.00 0.00 C ATOM 701 NH1 ARG A 45 -13.164 4.184 2.081 1.00 0.00 N ATOM 702 NH2 ARG A 45 -12.211 2.217 1.309 1.00 0.00 N ATOM 0 H ARG A 45 -6.990 4.362 6.691 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.875 6.446 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.468 3.736 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.019 4.473 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.865 5.949 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.656 4.250 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.339 4.840 4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.005 5.734 2.836 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.181 2.965 2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.081 5.049 2.614 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.041 3.956 1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.413 1.584 1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.084 1.982 0.837 1.00 0.00 H new ATOM 716 N ILE A 46 -10.059 5.916 7.687 1.00 0.00 N ATOM 717 CA ILE A 46 -11.069 6.552 8.516 1.00 0.00 C ATOM 718 C ILE A 46 -10.535 7.894 9.021 1.00 0.00 C ATOM 719 O ILE A 46 -11.129 8.940 8.762 1.00 0.00 O ATOM 720 CB ILE A 46 -11.517 5.608 9.633 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.232 4.382 9.061 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.378 6.346 10.661 1.00 0.00 C ATOM 723 CD1 ILE A 46 -11.918 3.131 9.883 1.00 0.00 C ATOM 0 H ILE A 46 -9.939 4.917 7.852 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.965 6.764 7.932 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.629 5.249 10.154 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.308 4.555 9.053 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.926 4.228 8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.684 5.653 11.445 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.802 7.160 11.101 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.263 6.752 10.170 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.439 2.274 9.455 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.844 2.947 9.869 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.248 3.279 10.911 1.00 0.00 H new ATOM 735 N TYR A 47 -9.421 7.821 9.734 1.00 0.00 N ATOM 736 CA TYR A 47 -8.801 9.017 10.279 1.00 0.00 C ATOM 737 C TYR A 47 -8.830 10.161 9.263 1.00 0.00 C ATOM 738 O TYR A 47 -9.219 11.280 9.593 1.00 0.00 O ATOM 739 CB TYR A 47 -7.346 8.644 10.567 1.00 0.00 C ATOM 740 CG TYR A 47 -6.685 9.503 11.647 1.00 0.00 C ATOM 741 CD1 TYR A 47 -6.231 10.770 11.339 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.542 9.012 12.929 1.00 0.00 C ATOM 743 CE1 TYR A 47 -5.609 11.579 12.355 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.920 9.821 13.945 1.00 0.00 C ATOM 745 CZ TYR A 47 -5.485 11.064 13.608 1.00 0.00 C ATOM 746 OH TYR A 47 -4.898 11.828 14.568 1.00 0.00 O ATOM 0 H TYR A 47 -8.931 6.952 9.947 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.331 9.352 11.171 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.303 7.599 10.872 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.770 8.731 9.646 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.342 11.154 10.336 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.897 8.021 13.170 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.249 12.572 12.128 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.802 9.449 14.952 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.878 11.333 15.413 1.00 0.00 H new ATOM 756 N ARG A 48 -8.413 9.840 8.047 1.00 0.00 N ATOM 757 CA ARG A 48 -8.386 10.826 6.980 1.00 0.00 C ATOM 758 C ARG A 48 -9.790 11.384 6.738 1.00 0.00 C ATOM 759 O ARG A 48 -9.971 12.597 6.637 1.00 0.00 O ATOM 760 CB ARG A 48 -7.855 10.218 5.681 1.00 0.00 C ATOM 761 CG ARG A 48 -7.341 11.307 4.736 1.00 0.00 C ATOM 762 CD ARG A 48 -6.466 10.708 3.634 1.00 0.00 C ATOM 763 NE ARG A 48 -7.229 10.627 2.368 1.00 0.00 N ATOM 764 CZ ARG A 48 -6.693 10.266 1.183 1.00 0.00 C ATOM 765 NH1 ARG A 48 -5.385 9.948 1.091 1.00 0.00 N ATOM 766 NH2 ARG A 48 -7.469 10.229 0.115 1.00 0.00 N ATOM 0 H ARG A 48 -8.091 8.911 7.777 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.719 11.631 7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.051 9.517 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.646 9.650 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.184 11.834 4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.768 12.043 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.575 11.320 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.127 9.715 3.928 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.222 10.859 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.793 9.979 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.988 9.676 0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.457 10.471 0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.081 9.958 -0.788 1.00 0.00 H new ATOM 780 N LEU A 49 -10.747 10.473 6.651 1.00 0.00 N ATOM 781 CA LEU A 49 -12.129 10.858 6.423 1.00 0.00 C ATOM 782 C LEU A 49 -12.556 11.868 7.490 1.00 0.00 C ATOM 783 O LEU A 49 -12.927 12.996 7.170 1.00 0.00 O ATOM 784 CB LEU A 49 -13.027 9.621 6.353 1.00 0.00 C ATOM 785 CG LEU A 49 -14.441 9.847 5.814 1.00 0.00 C ATOM 786 CD1 LEU A 49 -15.163 10.936 6.610 1.00 0.00 C ATOM 787 CD2 LEU A 49 -14.414 10.155 4.316 1.00 0.00 C ATOM 0 H LEU A 49 -10.593 9.468 6.734 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.231 11.352 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.536 8.875 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.105 9.196 7.354 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.007 8.925 5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.166 11.077 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -15.231 10.637 7.656 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.607 11.871 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.432 10.311 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.825 11.055 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.966 9.318 3.780 1.00 0.00 H new ATOM 799 N ARG A 50 -12.489 11.426 8.737 1.00 0.00 N ATOM 800 CA ARG A 50 -12.864 12.277 9.854 1.00 0.00 C ATOM 801 C ARG A 50 -12.115 13.609 9.781 1.00 0.00 C ATOM 802 O ARG A 50 -10.958 13.652 9.366 1.00 0.00 O ATOM 803 CB ARG A 50 -12.556 11.599 11.191 1.00 0.00 C ATOM 804 CG ARG A 50 -13.770 10.822 11.705 1.00 0.00 C ATOM 805 CD ARG A 50 -13.352 9.467 12.277 1.00 0.00 C ATOM 806 NE ARG A 50 -14.303 9.047 13.330 1.00 0.00 N ATOM 807 CZ ARG A 50 -14.450 9.680 14.514 1.00 0.00 C ATOM 808 NH1 ARG A 50 -13.707 10.768 14.805 1.00 0.00 N ATOM 809 NH2 ARG A 50 -15.330 9.218 15.382 1.00 0.00 N ATOM 0 H ARG A 50 -12.181 10.490 8.999 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.937 12.456 9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.710 10.922 11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.263 12.350 11.925 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.280 11.403 12.473 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.482 10.674 10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.323 8.721 11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.345 9.532 12.690 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.884 8.228 13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.028 11.118 14.129 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.824 11.241 15.701 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.887 8.394 15.154 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.453 9.684 16.281 1.00 0.00 H new ATOM 1045 N ARG A 65 5.620 14.066 6.466 1.00 0.00 N ATOM 1046 CA ARG A 65 6.242 12.939 5.793 1.00 0.00 C ATOM 1047 C ARG A 65 5.467 11.653 6.084 1.00 0.00 C ATOM 1048 O ARG A 65 5.206 10.863 5.179 1.00 0.00 O ATOM 1049 CB ARG A 65 7.695 12.764 6.240 1.00 0.00 C ATOM 1050 CG ARG A 65 7.802 12.760 7.767 1.00 0.00 C ATOM 1051 CD ARG A 65 9.077 13.468 8.229 1.00 0.00 C ATOM 1052 NE ARG A 65 9.109 13.538 9.707 1.00 0.00 N ATOM 1053 CZ ARG A 65 9.823 14.446 10.406 1.00 0.00 C ATOM 1054 NH1 ARG A 65 10.572 15.369 9.766 1.00 0.00 N ATOM 1055 NH2 ARG A 65 9.779 14.417 11.725 1.00 0.00 N ATOM 0 HA ARG A 65 6.225 13.142 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.092 11.830 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.305 13.570 5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.931 13.254 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.799 11.733 8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.953 12.933 7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.118 14.473 7.808 1.00 0.00 H new ATOM 0 HE ARG A 65 8.557 12.858 10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.602 15.384 8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.108 16.051 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.212 13.716 12.201 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.312 15.096 12.268 1.00 0.00 H new ATOM 1069 N VAL A 66 5.121 11.483 7.352 1.00 0.00 N ATOM 1070 CA VAL A 66 4.381 10.306 7.774 1.00 0.00 C ATOM 1071 C VAL A 66 3.231 10.054 6.796 1.00 0.00 C ATOM 1072 O VAL A 66 3.183 9.011 6.146 1.00 0.00 O ATOM 1073 CB VAL A 66 3.910 10.475 9.220 1.00 0.00 C ATOM 1074 CG1 VAL A 66 2.990 9.324 9.634 1.00 0.00 C ATOM 1075 CG2 VAL A 66 5.100 10.596 10.174 1.00 0.00 C ATOM 0 H VAL A 66 5.339 12.141 8.100 1.00 0.00 H new ATOM 0 HA VAL A 66 5.022 9.425 7.756 1.00 0.00 H new ATOM 0 HB VAL A 66 3.338 11.401 9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.669 9.468 10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.117 9.304 8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.528 8.380 9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.737 10.715 11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.711 9.696 10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.700 11.463 9.899 1.00 0.00 H new ATOM 1085 N ALA A 67 2.335 11.026 6.723 1.00 0.00 N ATOM 1086 CA ALA A 67 1.189 10.922 5.836 1.00 0.00 C ATOM 1087 C ALA A 67 1.664 10.505 4.442 1.00 0.00 C ATOM 1088 O ALA A 67 1.081 9.617 3.824 1.00 0.00 O ATOM 1089 CB ALA A 67 0.433 12.253 5.820 1.00 0.00 C ATOM 0 H ALA A 67 2.379 11.890 7.264 1.00 0.00 H new ATOM 0 HA ALA A 67 0.497 10.158 6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.427 12.175 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.092 12.490 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.095 13.043 5.466 1.00 0.00 H new ATOM 1095 N ALA A 68 2.719 11.167 3.990 1.00 0.00 N ATOM 1096 CA ALA A 68 3.280 10.876 2.681 1.00 0.00 C ATOM 1097 C ALA A 68 3.579 9.379 2.580 1.00 0.00 C ATOM 1098 O ALA A 68 3.225 8.736 1.594 1.00 0.00 O ATOM 1099 CB ALA A 68 4.525 11.737 2.456 1.00 0.00 C ATOM 0 H ALA A 68 3.200 11.904 4.506 1.00 0.00 H new ATOM 0 HA ALA A 68 2.567 11.123 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.946 11.519 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.253 12.791 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.265 11.515 3.225 1.00 0.00 H new ATOM 1105 N GLN A 69 4.229 8.868 3.616 1.00 0.00 N ATOM 1106 CA GLN A 69 4.581 7.458 3.656 1.00 0.00 C ATOM 1107 C GLN A 69 3.319 6.595 3.606 1.00 0.00 C ATOM 1108 O GLN A 69 3.154 5.782 2.698 1.00 0.00 O ATOM 1109 CB GLN A 69 5.416 7.137 4.897 1.00 0.00 C ATOM 1110 CG GLN A 69 6.890 6.946 4.532 1.00 0.00 C ATOM 1111 CD GLN A 69 7.799 7.677 5.522 1.00 0.00 C ATOM 1112 OE1 GLN A 69 8.082 8.856 5.389 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.239 6.913 6.518 1.00 0.00 N ATOM 0 H GLN A 69 4.521 9.404 4.433 1.00 0.00 H new ATOM 0 HA GLN A 69 5.189 7.230 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.319 7.944 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.035 6.233 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.132 5.883 4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.070 7.319 3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.963 5.932 6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.853 7.308 7.231 1.00 0.00 H new ATOM 1122 N ALA A 70 2.460 6.801 4.594 1.00 0.00 N ATOM 1123 CA ALA A 70 1.217 6.052 4.674 1.00 0.00 C ATOM 1124 C ALA A 70 0.496 6.123 3.326 1.00 0.00 C ATOM 1125 O ALA A 70 -0.256 5.216 2.972 1.00 0.00 O ATOM 1126 CB ALA A 70 0.365 6.598 5.821 1.00 0.00 C ATOM 0 H ALA A 70 2.600 7.476 5.346 1.00 0.00 H new ATOM 0 HA ALA A 70 1.415 5.001 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.567 6.036 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.910 6.497 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.144 7.650 5.641 1.00 0.00 H new ATOM 1132 N CYS A 71 0.751 7.209 2.611 1.00 0.00 N ATOM 1133 CA CYS A 71 0.136 7.410 1.310 1.00 0.00 C ATOM 1134 C CYS A 71 0.796 6.455 0.314 1.00 0.00 C ATOM 1135 O CYS A 71 0.111 5.721 -0.396 1.00 0.00 O ATOM 1136 CB CYS A 71 0.236 8.868 0.856 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.222 9.309 -0.158 1.00 0.00 S ATOM 0 H CYS A 71 1.375 7.959 2.908 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.930 7.190 1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.298 9.524 1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.149 9.016 0.279 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.128 10.549 -0.536 1.00 0.00 H new ATOM 1143 N ALA A 72 2.121 6.497 0.292 1.00 0.00 N ATOM 1144 CA ALA A 72 2.881 5.644 -0.606 1.00 0.00 C ATOM 1145 C ALA A 72 2.606 4.178 -0.266 1.00 0.00 C ATOM 1146 O ALA A 72 1.981 3.463 -1.048 1.00 0.00 O ATOM 1147 CB ALA A 72 4.367 5.996 -0.508 1.00 0.00 C ATOM 0 H ALA A 72 2.687 7.108 0.881 1.00 0.00 H new ATOM 0 HA ALA A 72 2.574 5.805 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.938 5.356 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.513 7.039 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.710 5.843 0.515 1.00 0.00 H new ATOM 1153 N VAL A 73 3.085 3.774 0.901 1.00 0.00 N ATOM 1154 CA VAL A 73 2.898 2.406 1.354 1.00 0.00 C ATOM 1155 C VAL A 73 1.420 2.030 1.230 1.00 0.00 C ATOM 1156 O VAL A 73 1.090 0.932 0.784 1.00 0.00 O ATOM 1157 CB VAL A 73 3.439 2.248 2.776 1.00 0.00 C ATOM 1158 CG1 VAL A 73 4.873 2.770 2.879 1.00 0.00 C ATOM 1159 CG2 VAL A 73 2.528 2.943 3.790 1.00 0.00 C ATOM 0 H VAL A 73 3.603 4.370 1.547 1.00 0.00 H new ATOM 0 HA VAL A 73 3.462 1.715 0.728 1.00 0.00 H new ATOM 0 HB VAL A 73 3.453 1.184 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.233 2.646 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.514 2.210 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.896 3.827 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.936 2.815 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.467 4.006 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.531 2.504 3.745 1.00 0.00 H new ATOM 1169 N GLY A 74 0.569 2.963 1.633 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.866 2.743 1.574 1.00 0.00 C ATOM 1171 C GLY A 74 -1.323 2.496 0.134 1.00 0.00 C ATOM 1172 O GLY A 74 -2.254 1.728 -0.102 1.00 0.00 O ATOM 0 H GLY A 74 0.846 3.873 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.133 1.888 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.388 3.609 1.982 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.647 3.162 -0.790 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.972 3.025 -2.199 1.00 0.00 C ATOM 1178 C ALA A 75 -0.569 1.628 -2.677 1.00 0.00 C ATOM 1179 O ALA A 75 -1.424 0.823 -3.043 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.280 4.135 -2.994 1.00 0.00 C ATOM 0 H ALA A 75 0.125 3.798 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.045 3.132 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.524 4.032 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.622 5.106 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.799 4.059 -2.862 1.00 0.00 H new ATOM 1186 N ILE A 76 0.733 1.384 -2.659 1.00 0.00 N ATOM 1187 CA ILE A 76 1.259 0.099 -3.086 1.00 0.00 C ATOM 1188 C ILE A 76 0.456 -1.022 -2.423 1.00 0.00 C ATOM 1189 O ILE A 76 0.086 -1.996 -3.077 1.00 0.00 O ATOM 1190 CB ILE A 76 2.763 0.020 -2.818 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.432 -1.002 -3.740 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.042 -0.271 -1.342 1.00 0.00 C ATOM 1193 CD1 ILE A 76 3.496 -2.380 -3.077 1.00 0.00 C ATOM 0 H ILE A 76 1.439 2.054 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 76 1.144 -0.021 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 76 3.201 0.992 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.878 -1.070 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.439 -0.668 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.118 -0.322 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.619 0.524 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.588 -1.223 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.976 -3.087 -3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.072 -2.313 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.486 -2.722 -2.851 1.00 0.00 H new ATOM 1205 N MET A 77 0.211 -0.847 -1.133 1.00 0.00 N ATOM 1206 CA MET A 77 -0.541 -1.832 -0.374 1.00 0.00 C ATOM 1207 C MET A 77 -1.957 -1.990 -0.933 1.00 0.00 C ATOM 1208 O MET A 77 -2.346 -3.081 -1.347 1.00 0.00 O ATOM 1209 CB MET A 77 -0.616 -1.399 1.092 1.00 0.00 C ATOM 1210 CG MET A 77 0.615 -1.873 1.867 1.00 0.00 C ATOM 1211 SD MET A 77 1.033 -0.686 3.133 1.00 0.00 S ATOM 1212 CE MET A 77 2.713 -1.181 3.479 1.00 0.00 C ATOM 0 H MET A 77 0.520 -0.038 -0.594 1.00 0.00 H new ATOM 0 HA MET A 77 -0.030 -2.792 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.691 -0.313 1.151 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.517 -1.806 1.550 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.418 -2.845 2.319 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.456 -2.002 1.186 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.117 -0.561 4.279 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.728 -2.226 3.787 1.00 0.00 H new ATOM 0 HE3 MET A 77 3.321 -1.058 2.582 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.688 -0.886 -0.926 1.00 0.00 N ATOM 1223 CA LEU A 78 -4.052 -0.888 -1.426 1.00 0.00 C ATOM 1224 C LEU A 78 -4.122 -1.736 -2.698 1.00 0.00 C ATOM 1225 O LEU A 78 -5.028 -2.553 -2.854 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.557 0.544 -1.613 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.483 1.077 -0.519 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -5.077 2.490 -0.097 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.947 1.009 -0.958 1.00 0.00 C ATOM 0 H LEU A 78 -2.361 0.017 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.724 -1.345 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.694 1.206 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.083 0.601 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.379 0.437 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.752 2.845 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.056 2.476 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.133 3.157 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.584 1.394 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.086 1.610 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.216 -0.026 -1.169 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.154 -1.512 -3.575 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.095 -2.245 -4.828 1.00 0.00 C ATOM 1243 C GLY A 79 -2.819 -3.729 -4.582 1.00 0.00 C ATOM 1244 O GLY A 79 -3.409 -4.590 -5.233 1.00 0.00 O ATOM 0 H GLY A 79 -2.404 -0.833 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.037 -2.131 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.314 -1.826 -5.462 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.921 -3.984 -3.641 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.560 -5.349 -3.301 1.00 0.00 C ATOM 1250 C ALA A 80 -2.790 -6.078 -2.757 1.00 0.00 C ATOM 1251 O ALA A 80 -3.266 -7.037 -3.363 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.401 -5.337 -2.303 1.00 0.00 C ATOM 0 H ALA A 80 -1.433 -3.267 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.223 -5.888 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.130 -6.361 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.458 -4.835 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.704 -4.806 -1.400 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.271 -5.594 -1.621 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.437 -6.187 -0.989 1.00 0.00 C ATOM 1260 C VAL A 81 -5.552 -6.338 -2.026 1.00 0.00 C ATOM 1261 O VAL A 81 -6.278 -7.331 -2.021 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.856 -5.353 0.223 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -3.782 -5.390 1.312 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -5.173 -3.913 -0.186 1.00 0.00 C ATOM 0 H VAL A 81 -2.874 -4.798 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.204 -7.184 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.765 -5.792 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.105 -4.789 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.625 -6.420 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.849 -4.988 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.468 -3.341 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.289 -3.459 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.988 -3.911 -0.910 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.653 -5.338 -2.889 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.668 -5.348 -3.929 1.00 0.00 C ATOM 1276 C TYR A 82 -6.523 -6.579 -4.826 1.00 0.00 C ATOM 1277 O TYR A 82 -7.456 -7.370 -4.956 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.425 -4.090 -4.766 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.330 -2.913 -4.399 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -7.572 -2.616 -3.073 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -7.906 -2.149 -5.394 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -8.425 -1.508 -2.728 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -8.759 -1.041 -5.048 1.00 0.00 C ATOM 1284 CZ TYR A 82 -8.976 -0.776 -3.732 1.00 0.00 C ATOM 1285 OH TYR A 82 -9.781 0.271 -3.406 1.00 0.00 O ATOM 0 H TYR A 82 -5.049 -4.516 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.666 -5.373 -3.491 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.385 -3.785 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.571 -4.333 -5.819 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.122 -3.214 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.717 -2.382 -6.432 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.622 -1.264 -1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.216 -0.435 -5.816 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.103 0.703 -4.224 1.00 0.00 H new ATOM 1295 N THR A 83 -5.345 -6.703 -5.421 1.00 0.00 N ATOM 1296 CA THR A 83 -5.066 -7.824 -6.301 1.00 0.00 C ATOM 1297 C THR A 83 -5.321 -9.147 -5.577 1.00 0.00 C ATOM 1298 O THR A 83 -5.840 -10.093 -6.168 1.00 0.00 O ATOM 1299 CB THR A 83 -3.631 -7.678 -6.812 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.696 -6.583 -7.721 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.197 -8.859 -7.683 1.00 0.00 C ATOM 0 H THR A 83 -4.573 -6.045 -5.310 1.00 0.00 H new ATOM 0 HA THR A 83 -5.735 -7.827 -7.162 1.00 0.00 H new ATOM 0 HB THR A 83 -2.952 -7.582 -5.965 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.647 -5.741 -7.223 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.172 -8.706 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.254 -9.780 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.855 -8.934 -8.548 1.00 0.00 H new ATOM 1309 N MET A 84 -4.946 -9.172 -4.306 1.00 0.00 N ATOM 1310 CA MET A 84 -5.128 -10.363 -3.495 1.00 0.00 C ATOM 1311 C MET A 84 -6.613 -10.679 -3.309 1.00 0.00 C ATOM 1312 O MET A 84 -7.115 -11.662 -3.852 1.00 0.00 O ATOM 1313 CB MET A 84 -4.474 -10.154 -2.127 1.00 0.00 C ATOM 1314 CG MET A 84 -3.660 -11.382 -1.715 1.00 0.00 C ATOM 1315 SD MET A 84 -1.947 -11.158 -2.166 1.00 0.00 S ATOM 1316 CE MET A 84 -1.187 -12.379 -1.109 1.00 0.00 C ATOM 0 H MET A 84 -4.517 -8.386 -3.818 1.00 0.00 H new ATOM 0 HA MET A 84 -4.659 -11.203 -4.007 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.826 -9.278 -2.160 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.242 -9.955 -1.379 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.744 -11.540 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 84 -4.059 -12.273 -2.200 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.108 -12.373 -1.264 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.405 -12.145 -0.067 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.583 -13.366 -1.350 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.274 -9.826 -2.540 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.692 -10.001 -2.276 1.00 0.00 C ATOM 1328 C TYR A 85 -9.481 -10.136 -3.580 1.00 0.00 C ATOM 1329 O TYR A 85 -10.602 -10.642 -3.583 1.00 0.00 O ATOM 1330 CB TYR A 85 -9.145 -8.734 -1.548 1.00 0.00 C ATOM 1331 CG TYR A 85 -10.487 -8.877 -0.827 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -10.591 -9.690 0.283 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -11.594 -8.192 -1.287 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.854 -9.824 0.962 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.857 -8.326 -0.608 1.00 0.00 C ATOM 1336 CZ TYR A 85 -12.924 -9.135 0.483 1.00 0.00 C ATOM 1337 OH TYR A 85 -14.117 -9.262 1.124 1.00 0.00 O ATOM 0 H TYR A 85 -6.854 -9.012 -2.091 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.864 -10.904 -1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.382 -8.452 -0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.216 -7.919 -2.268 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.725 -10.226 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.513 -7.556 -2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.949 -10.457 1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -13.731 -7.796 -0.957 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.791 -8.712 0.672 1.00 0.00 H new ATOM 1347 N SER A 86 -8.864 -9.673 -4.657 1.00 0.00 N ATOM 1348 CA SER A 86 -9.494 -9.735 -5.965 1.00 0.00 C ATOM 1349 C SER A 86 -9.342 -11.139 -6.553 1.00 0.00 C ATOM 1350 O SER A 86 -10.319 -11.880 -6.661 1.00 0.00 O ATOM 1351 CB SER A 86 -8.896 -8.695 -6.915 1.00 0.00 C ATOM 1352 OG SER A 86 -9.402 -7.387 -6.661 1.00 0.00 O ATOM 0 H SER A 86 -7.934 -9.253 -4.651 1.00 0.00 H new ATOM 0 HA SER A 86 -10.554 -9.511 -5.844 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.811 -8.691 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.117 -8.975 -7.945 1.00 0.00 H new ATOM 0 HG SER A 86 -8.818 -6.929 -6.021 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.111 -11.464 -6.918 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.819 -12.766 -7.492 1.00 0.00 C ATOM 1360 C ASP A 87 -8.315 -13.859 -6.544 1.00 0.00 C ATOM 1361 O ASP A 87 -8.508 -15.003 -6.955 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.314 -12.957 -7.688 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.918 -13.738 -8.942 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.275 -13.196 -10.057 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.301 -14.810 -8.860 1.00 0.00 O ATOM 0 H ASP A 87 -7.304 -10.847 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.319 -12.828 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.841 -11.976 -7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.912 -13.472 -6.816 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.507 -13.470 -5.292 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.977 -14.403 -4.282 1.00 0.00 C ATOM 1372 C TYR A 88 -10.275 -15.082 -4.724 1.00 0.00 C ATOM 1373 O TYR A 88 -10.635 -16.138 -4.206 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.254 -13.566 -3.032 1.00 0.00 C ATOM 1375 CG TYR A 88 -10.262 -14.199 -2.070 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -11.599 -14.249 -2.406 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -9.833 -14.720 -0.866 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -12.548 -14.845 -1.501 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -10.781 -15.316 0.039 1.00 0.00 C ATOM 1380 CZ TYR A 88 -12.092 -15.349 -0.323 1.00 0.00 C ATOM 1381 OH TYR A 88 -12.987 -15.912 0.532 1.00 0.00 O ATOM 0 H TYR A 88 -8.346 -12.521 -4.954 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.237 -15.184 -4.107 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.316 -13.401 -2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.624 -12.587 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.934 -13.841 -3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.786 -14.681 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.597 -14.891 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.459 -15.728 0.984 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.519 -16.230 1.332 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.942 -14.449 -5.678 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.192 -14.979 -6.196 1.00 0.00 C ATOM 1393 C VAL A 89 -12.081 -16.499 -6.326 1.00 0.00 C ATOM 1394 O VAL A 89 -12.559 -17.236 -5.466 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.545 -14.289 -7.515 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -11.289 -14.015 -8.344 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.558 -15.116 -8.311 1.00 0.00 C ATOM 0 H VAL A 89 -10.640 -13.574 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.011 -14.771 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.006 -13.330 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.568 -13.524 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.615 -13.369 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.787 -14.957 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.793 -14.604 -9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.135 -16.096 -8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.469 -15.238 -7.725 1.00 0.00 H new