USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 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 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.00796 K(o=-0.008,f=-1.3) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 38 HIS : no HE2:sc= 0.00184 K(o=0.0018,f=-0.52) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 66:sc= 1.23 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 15:sc= 0.788 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.773 K(o=-0.77,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.643 -15.849 1.026 1.00 0.00 N ATOM 232 CA ARG A 18 35.902 -15.401 1.607 1.00 0.00 C ATOM 233 C ARG A 18 36.593 -16.540 2.351 1.00 0.00 C ATOM 234 O ARG A 18 36.443 -16.684 3.565 1.00 0.00 O ATOM 235 CB ARG A 18 35.661 -14.228 2.559 1.00 0.00 C ATOM 236 CG ARG A 18 34.897 -13.077 1.926 1.00 0.00 C ATOM 237 CD ARG A 18 35.785 -12.261 1.000 1.00 0.00 C ATOM 238 NE ARG A 18 36.779 -11.486 1.737 1.00 0.00 N ATOM 239 CZ ARG A 18 36.498 -10.366 2.394 1.00 0.00 C ATOM 240 NH1 ARG A 18 35.260 -9.893 2.405 1.00 0.00 N ATOM 241 NH2 ARG A 18 37.457 -9.717 3.042 1.00 0.00 N ATOM 0 HA ARG A 18 36.551 -15.073 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 18 35.109 -14.584 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 18 36.622 -13.860 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 18 34.047 -13.467 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 18 34.495 -12.432 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 18 36.291 -12.928 0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 18 35.167 -11.587 0.406 1.00 0.00 H new ATOM 0 HE ARG A 18 37.742 -11.823 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 18 34.520 -10.389 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 18 35.047 -9.033 2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 18 38.411 -10.078 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 18 37.240 -8.857 3.546 1.00 0.00 H new ATOM 255 N LEU A 19 37.350 -17.347 1.616 1.00 0.00 N ATOM 256 CA LEU A 19 38.065 -18.474 2.206 1.00 0.00 C ATOM 257 C LEU A 19 39.568 -18.344 1.980 1.00 0.00 C ATOM 258 O LEU A 19 40.010 -17.740 1.002 1.00 0.00 O ATOM 259 CB LEU A 19 37.560 -19.790 1.612 1.00 0.00 C ATOM 260 CG LEU A 19 36.044 -19.990 1.616 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.617 -20.862 0.445 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.590 -20.602 2.933 1.00 0.00 C ATOM 0 H LEU A 19 37.485 -17.242 0.610 1.00 0.00 H new ATOM 0 HA LEU A 19 37.877 -18.471 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.913 -19.860 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.016 -20.613 2.162 1.00 0.00 H new ATOM 0 HG LEU A 19 35.568 -19.015 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.535 -20.993 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.908 -20.383 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.102 -21.835 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.509 -20.737 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.075 -21.569 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.861 -19.939 3.755 1.00 0.00 H new ATOM 274 N LEU A 20 40.349 -18.917 2.889 1.00 0.00 N ATOM 275 CA LEU A 20 41.803 -18.868 2.788 1.00 0.00 C ATOM 276 C LEU A 20 42.355 -20.179 2.236 1.00 0.00 C ATOM 277 O LEU A 20 41.643 -21.179 2.155 1.00 0.00 O ATOM 278 CB LEU A 20 42.419 -18.579 4.158 1.00 0.00 C ATOM 279 CG LEU A 20 42.426 -17.114 4.595 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.984 -16.979 6.003 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.231 -16.270 3.618 1.00 0.00 C ATOM 0 H LEU A 20 40.000 -19.421 3.704 1.00 0.00 H new ATOM 0 HA LEU A 20 42.068 -18.065 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.878 -19.158 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.447 -18.942 4.156 1.00 0.00 H new ATOM 0 HG LEU A 20 41.398 -16.751 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.981 -15.929 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.367 -17.551 6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 20 44.005 -17.360 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 20 43.225 -15.230 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.258 -16.634 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.787 -16.341 2.625 1.00 0.00 H new ATOM 293 N GLY A 21 43.630 -20.166 1.859 1.00 0.00 N ATOM 294 CA GLY A 21 44.257 -21.360 1.322 1.00 0.00 C ATOM 295 C GLY A 21 45.770 -21.270 1.320 1.00 0.00 C ATOM 296 O GLY A 21 46.337 -20.228 1.650 1.00 0.00 O ATOM 0 H GLY A 21 44.240 -19.350 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 21 43.948 -22.224 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.905 -21.525 0.304 1.00 0.00 H new ATOM 300 N TYR A 22 46.425 -22.364 0.950 1.00 0.00 N ATOM 301 CA TYR A 22 47.882 -22.406 0.911 1.00 0.00 C ATOM 302 C TYR A 22 48.376 -23.002 -0.404 1.00 0.00 C ATOM 303 O TYR A 22 47.883 -24.036 -0.854 1.00 0.00 O ATOM 304 CB TYR A 22 48.422 -23.221 2.088 1.00 0.00 C ATOM 305 CG TYR A 22 47.775 -22.876 3.410 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.282 -21.858 4.209 1.00 0.00 C ATOM 307 CD2 TYR A 22 46.658 -23.568 3.861 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.695 -21.540 5.418 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.063 -23.256 5.069 1.00 0.00 C ATOM 310 CZ TYR A 22 46.586 -22.242 5.844 1.00 0.00 C ATOM 311 OH TYR A 22 45.997 -21.927 7.047 1.00 0.00 O ATOM 0 H TYR A 22 45.970 -23.234 0.673 1.00 0.00 H new ATOM 0 HA TYR A 22 48.251 -21.383 0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.271 -24.281 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.497 -23.062 2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.150 -21.306 3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.247 -24.364 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.102 -20.746 6.027 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.194 -23.803 5.404 1.00 0.00 H new ATOM 0 HH TYR A 22 45.227 -22.514 7.198 1.00 0.00 H new ATOM 321 N VAL A 23 49.353 -22.341 -1.015 1.00 0.00 N ATOM 322 CA VAL A 23 49.916 -22.805 -2.278 1.00 0.00 C ATOM 323 C VAL A 23 50.474 -24.217 -2.145 1.00 0.00 C ATOM 324 O VAL A 23 51.409 -24.456 -1.382 1.00 0.00 O ATOM 325 CB VAL A 23 51.034 -21.867 -2.772 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.504 -22.281 -4.159 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.557 -20.423 -2.771 1.00 0.00 C ATOM 0 H VAL A 23 49.771 -21.483 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 23 49.104 -22.806 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 23 51.880 -21.947 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.294 -21.607 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.888 -23.301 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.668 -22.232 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.359 -19.775 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.695 -20.324 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.274 -20.134 -1.759 1.00 0.00 H new ATOM 337 N ALA A 24 49.895 -25.149 -2.894 1.00 0.00 N ATOM 338 CA ALA A 24 50.336 -26.538 -2.862 1.00 0.00 C ATOM 339 C ALA A 24 51.328 -26.825 -3.983 1.00 0.00 C ATOM 340 O ALA A 24 52.291 -27.570 -3.799 1.00 0.00 O ATOM 341 CB ALA A 24 49.140 -27.474 -2.960 1.00 0.00 C ATOM 0 H ALA A 24 49.119 -24.967 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 24 50.842 -26.711 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.484 -28.508 -2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.468 -27.295 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.610 -27.291 -3.895 1.00 0.00 H new ATOM 347 N THR A 25 51.088 -26.229 -5.147 1.00 0.00 N ATOM 348 CA THR A 25 51.959 -26.422 -6.299 1.00 0.00 C ATOM 349 C THR A 25 51.890 -25.230 -7.247 1.00 0.00 C ATOM 350 O THR A 25 50.839 -24.606 -7.400 1.00 0.00 O ATOM 351 CB THR A 25 51.591 -27.702 -7.074 1.00 0.00 C ATOM 352 OG1 THR A 25 51.623 -28.832 -6.196 1.00 0.00 O ATOM 353 CG2 THR A 25 52.550 -27.927 -8.233 1.00 0.00 C ATOM 0 H THR A 25 50.297 -25.608 -5.316 1.00 0.00 H new ATOM 0 HA THR A 25 52.974 -26.518 -5.914 1.00 0.00 H new ATOM 0 HB THR A 25 50.584 -27.582 -7.474 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.386 -29.641 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.270 -28.836 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.502 -27.078 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.566 -28.028 -7.850 1.00 0.00 H new ATOM 361 N LEU A 26 53.015 -24.919 -7.881 1.00 0.00 N ATOM 362 CA LEU A 26 53.082 -23.801 -8.816 1.00 0.00 C ATOM 363 C LEU A 26 53.653 -24.246 -10.158 1.00 0.00 C ATOM 364 O LEU A 26 54.709 -24.877 -10.217 1.00 0.00 O ATOM 365 CB LEU A 26 53.936 -22.674 -8.233 1.00 0.00 C ATOM 366 CG LEU A 26 53.188 -21.611 -7.429 1.00 0.00 C ATOM 367 CD1 LEU A 26 54.147 -20.848 -6.529 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.454 -20.656 -8.360 1.00 0.00 C ATOM 0 H LEU A 26 53.893 -25.425 -7.765 1.00 0.00 H new ATOM 0 HA LEU A 26 52.069 -23.434 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.697 -23.117 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.458 -22.180 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 26 52.452 -22.111 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.596 -20.096 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.626 -21.541 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.907 -20.359 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.927 -19.906 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.172 -20.163 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.737 -21.214 -8.962 1.00 0.00 H new ATOM 380 N LYS A 27 52.950 -23.913 -11.235 1.00 0.00 N ATOM 381 CA LYS A 27 53.388 -24.275 -12.578 1.00 0.00 C ATOM 382 C LYS A 27 53.623 -23.030 -13.427 1.00 0.00 C ATOM 383 O LYS A 27 53.519 -21.905 -12.939 1.00 0.00 O ATOM 384 CB LYS A 27 52.349 -25.175 -13.250 1.00 0.00 C ATOM 385 CG LYS A 27 51.906 -26.343 -12.386 1.00 0.00 C ATOM 386 CD LYS A 27 53.078 -27.235 -12.010 1.00 0.00 C ATOM 387 CE LYS A 27 52.897 -28.647 -12.546 1.00 0.00 C ATOM 388 NZ LYS A 27 53.369 -28.771 -13.953 1.00 0.00 N ATOM 0 H LYS A 27 52.073 -23.392 -11.204 1.00 0.00 H new ATOM 0 HA LYS A 27 54.329 -24.818 -12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.477 -24.576 -13.512 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.763 -25.560 -14.182 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.429 -25.967 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.158 -26.929 -12.920 1.00 0.00 H new ATOM 0 HD2 LYS A 27 54.001 -26.810 -12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.180 -27.267 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 27 53.445 -29.348 -11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 27 51.844 -28.924 -12.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 53.229 -29.748 -14.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 52.829 -28.121 -14.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 54.380 -28.531 -14.003 1.00 0.00 H new ATOM 402 N ASP A 28 53.939 -23.240 -14.701 1.00 0.00 N ATOM 403 CA ASP A 28 54.186 -22.134 -15.619 1.00 0.00 C ATOM 404 C ASP A 28 52.942 -21.827 -16.446 1.00 0.00 C ATOM 405 O ASP A 28 53.033 -21.553 -17.643 1.00 0.00 O ATOM 406 CB ASP A 28 55.360 -22.463 -16.543 1.00 0.00 C ATOM 407 CG ASP A 28 55.903 -21.236 -17.248 1.00 0.00 C ATOM 408 OD1 ASP A 28 55.478 -20.114 -16.900 1.00 0.00 O ATOM 409 OD2 ASP A 28 56.754 -21.397 -18.147 1.00 0.00 O ATOM 0 H ASP A 28 54.030 -24.165 -15.121 1.00 0.00 H new ATOM 0 HA ASP A 28 54.435 -21.252 -15.029 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.157 -22.927 -15.962 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.040 -23.194 -17.286 1.00 0.00 H new ATOM 414 N ASN A 29 51.782 -21.874 -15.801 1.00 0.00 N ATOM 415 CA ASN A 29 50.519 -21.602 -16.478 1.00 0.00 C ATOM 416 C ASN A 29 49.374 -21.506 -15.474 1.00 0.00 C ATOM 417 O ASN A 29 48.491 -20.658 -15.603 1.00 0.00 O ATOM 418 CB ASN A 29 50.221 -22.696 -17.505 1.00 0.00 C ATOM 419 CG ASN A 29 49.219 -22.249 -18.552 1.00 0.00 C ATOM 420 OD1 ASN A 29 48.712 -21.128 -18.503 1.00 0.00 O ATOM 421 ND2 ASN A 29 48.930 -23.126 -19.507 1.00 0.00 N ATOM 0 H ASN A 29 51.690 -22.098 -14.810 1.00 0.00 H new ATOM 0 HA ASN A 29 50.609 -20.645 -16.992 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.148 -22.992 -17.996 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.837 -23.578 -16.992 1.00 0.00 H new ATOM 0 HD21 ASN A 29 48.264 -22.881 -20.239 1.00 0.00 H new ATOM 0 HD22 ASN A 29 49.375 -24.044 -19.508 1.00 0.00 H new ATOM 428 N PHE A 30 49.395 -22.382 -14.475 1.00 0.00 N ATOM 429 CA PHE A 30 48.358 -22.396 -13.449 1.00 0.00 C ATOM 430 C PHE A 30 48.908 -22.927 -12.128 1.00 0.00 C ATOM 431 O PHE A 30 49.861 -23.705 -12.108 1.00 0.00 O ATOM 432 CB PHE A 30 47.174 -23.252 -13.903 1.00 0.00 C ATOM 433 CG PHE A 30 47.578 -24.588 -14.458 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.117 -25.561 -13.632 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.418 -24.870 -15.805 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.489 -26.792 -14.140 1.00 0.00 C ATOM 437 CE2 PHE A 30 47.787 -26.099 -16.318 1.00 0.00 C ATOM 438 CZ PHE A 30 48.325 -27.061 -15.484 1.00 0.00 C ATOM 0 H PHE A 30 50.118 -23.091 -14.354 1.00 0.00 H new ATOM 0 HA PHE A 30 48.019 -21.372 -13.295 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.503 -23.406 -13.058 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.612 -22.707 -14.662 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.248 -25.356 -12.580 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.000 -24.121 -16.461 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.908 -27.542 -13.486 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.655 -26.308 -17.369 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.617 -28.021 -15.883 1.00 0.00 H new ATOM 448 N GLY A 31 48.299 -22.500 -11.026 1.00 0.00 N ATOM 449 CA GLY A 31 48.740 -22.942 -9.716 1.00 0.00 C ATOM 450 C GLY A 31 47.749 -23.880 -9.056 1.00 0.00 C ATOM 451 O GLY A 31 46.704 -24.193 -9.627 1.00 0.00 O ATOM 0 H GLY A 31 47.508 -21.856 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.703 -23.444 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.895 -22.073 -9.076 1.00 0.00 H new ATOM 455 N PHE A 32 48.077 -24.332 -7.850 1.00 0.00 N ATOM 456 CA PHE A 32 47.209 -25.243 -7.113 1.00 0.00 C ATOM 457 C PHE A 32 47.097 -24.822 -5.650 1.00 0.00 C ATOM 458 O PHE A 32 48.101 -24.541 -4.995 1.00 0.00 O ATOM 459 CB PHE A 32 47.741 -26.674 -7.204 1.00 0.00 C ATOM 460 CG PHE A 32 47.545 -27.302 -8.554 1.00 0.00 C ATOM 461 CD1 PHE A 32 46.297 -27.760 -8.945 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.608 -27.434 -9.433 1.00 0.00 C ATOM 463 CE1 PHE A 32 46.113 -28.338 -10.187 1.00 0.00 C ATOM 464 CE2 PHE A 32 48.430 -28.010 -10.676 1.00 0.00 C ATOM 465 CZ PHE A 32 47.181 -28.464 -11.053 1.00 0.00 C ATOM 0 H PHE A 32 48.937 -24.082 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 32 46.217 -25.203 -7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.804 -26.674 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 32 47.244 -27.286 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 32 45.458 -27.664 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.587 -27.082 -9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 32 45.135 -28.691 -10.480 1.00 0.00 H new ATOM 0 HE2 PHE A 32 49.267 -28.105 -11.352 1.00 0.00 H new ATOM 0 HZ PHE A 32 47.040 -28.917 -12.023 1.00 0.00 H new ATOM 475 N ILE A 33 45.869 -24.781 -5.146 1.00 0.00 N ATOM 476 CA ILE A 33 45.625 -24.395 -3.761 1.00 0.00 C ATOM 477 C ILE A 33 44.960 -25.527 -2.984 1.00 0.00 C ATOM 478 O ILE A 33 44.008 -26.144 -3.461 1.00 0.00 O ATOM 479 CB ILE A 33 44.739 -23.138 -3.674 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.387 -21.978 -4.432 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.497 -22.760 -2.221 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.457 -20.805 -4.650 1.00 0.00 C ATOM 0 H ILE A 33 45.028 -25.010 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 33 46.597 -24.175 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 33 43.777 -23.357 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.264 -21.639 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.738 -22.338 -5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.869 -21.870 -2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 33 43.997 -23.583 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.451 -22.556 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.983 -20.020 -5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.592 -21.129 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 33 44.125 -20.420 -3.686 1.00 0.00 H new ATOM 494 N GLU A 34 45.467 -25.791 -1.784 1.00 0.00 N ATOM 495 CA GLU A 34 44.921 -26.848 -0.941 1.00 0.00 C ATOM 496 C GLU A 34 44.020 -26.267 0.145 1.00 0.00 C ATOM 497 O GLU A 34 44.096 -25.079 0.461 1.00 0.00 O ATOM 498 CB GLU A 34 46.052 -27.657 -0.302 1.00 0.00 C ATOM 499 CG GLU A 34 46.061 -29.120 -0.712 1.00 0.00 C ATOM 500 CD GLU A 34 46.562 -29.326 -2.128 1.00 0.00 C ATOM 501 OE1 GLU A 34 46.201 -28.516 -3.008 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.312 -30.297 -2.357 1.00 0.00 O ATOM 0 H GLU A 34 46.254 -25.288 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 34 44.323 -27.507 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.007 -27.207 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 34 45.965 -27.593 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.690 -29.683 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.052 -29.524 -0.625 1.00 0.00 H new ATOM 509 N THR A 35 43.166 -27.113 0.712 1.00 0.00 N ATOM 510 CA THR A 35 42.249 -26.685 1.761 1.00 0.00 C ATOM 511 C THR A 35 42.726 -27.150 3.132 1.00 0.00 C ATOM 512 O THR A 35 43.622 -27.986 3.237 1.00 0.00 O ATOM 513 CB THR A 35 40.826 -27.221 1.516 1.00 0.00 C ATOM 514 OG1 THR A 35 40.799 -28.641 1.695 1.00 0.00 O ATOM 515 CG2 THR A 35 40.351 -26.873 0.113 1.00 0.00 C ATOM 0 H THR A 35 43.090 -28.099 0.462 1.00 0.00 H new ATOM 0 HA THR A 35 42.228 -25.595 1.737 1.00 0.00 H new ATOM 0 HB THR A 35 40.156 -26.752 2.237 1.00 0.00 H new ATOM 0 HG1 THR A 35 39.890 -28.973 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.344 -27.262 -0.037 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.344 -25.790 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.024 -27.318 -0.620 1.00 0.00 H new ATOM 523 N ALA A 36 42.120 -26.603 4.181 1.00 0.00 N ATOM 524 CA ALA A 36 42.481 -26.964 5.546 1.00 0.00 C ATOM 525 C ALA A 36 42.331 -28.465 5.775 1.00 0.00 C ATOM 526 O ALA A 36 42.990 -29.039 6.640 1.00 0.00 O ATOM 527 CB ALA A 36 41.629 -26.189 6.540 1.00 0.00 C ATOM 0 H ALA A 36 41.377 -25.908 4.111 1.00 0.00 H new ATOM 0 HA ALA A 36 43.528 -26.702 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 36 41.910 -26.469 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 36 41.789 -25.120 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 36 40.577 -26.422 6.377 1.00 0.00 H new ATOM 533 N ASN A 37 41.459 -29.093 4.993 1.00 0.00 N ATOM 534 CA ASN A 37 41.221 -30.527 5.112 1.00 0.00 C ATOM 535 C ASN A 37 42.147 -31.311 4.187 1.00 0.00 C ATOM 536 O ASN A 37 42.435 -32.484 4.426 1.00 0.00 O ATOM 537 CB ASN A 37 39.762 -30.852 4.786 1.00 0.00 C ATOM 538 CG ASN A 37 38.789 -30.039 5.618 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.036 -29.768 6.793 1.00 0.00 O ATOM 540 ND2 ASN A 37 37.676 -29.646 5.010 1.00 0.00 N ATOM 0 H ASN A 37 40.906 -28.632 4.271 1.00 0.00 H new ATOM 0 HA ASN A 37 41.431 -30.820 6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.578 -30.663 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.582 -31.914 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 37 36.984 -29.096 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 37 37.513 -29.894 4.034 1.00 0.00 H new ATOM 547 N HIS A 38 42.611 -30.654 3.128 1.00 0.00 N ATOM 548 CA HIS A 38 43.506 -31.288 2.167 1.00 0.00 C ATOM 549 C HIS A 38 42.848 -32.511 1.537 1.00 0.00 C ATOM 550 O HIS A 38 43.496 -33.535 1.320 1.00 0.00 O ATOM 551 CB HIS A 38 44.815 -31.692 2.846 1.00 0.00 C ATOM 552 CG HIS A 38 45.551 -30.541 3.461 1.00 0.00 C ATOM 553 ND1 HIS A 38 45.211 -29.996 4.681 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.616 -29.833 3.018 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.034 -29.002 4.961 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.897 -28.882 3.968 1.00 0.00 N ATOM 0 H HIS A 38 42.382 -29.683 2.914 1.00 0.00 H new ATOM 0 HA HIS A 38 43.722 -30.567 1.379 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.601 -32.430 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.461 -32.176 2.113 1.00 0.00 H new ATOM 0 HD1 HIS A 38 44.444 -30.311 5.274 1.00 0.00 H new ATOM 0 HD2 HIS A 38 47.146 -29.987 2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 38 46.006 -28.391 5.851 1.00 0.00 H new ATOM 564 N ASP A 39 41.557 -32.397 1.245 1.00 0.00 N ATOM 565 CA ASP A 39 40.810 -33.494 0.639 1.00 0.00 C ATOM 566 C ASP A 39 40.564 -33.230 -0.843 1.00 0.00 C ATOM 567 O ASP A 39 40.438 -34.162 -1.638 1.00 0.00 O ATOM 568 CB ASP A 39 39.477 -33.693 1.363 1.00 0.00 C ATOM 569 CG ASP A 39 38.503 -32.561 1.102 1.00 0.00 C ATOM 570 OD1 ASP A 39 38.648 -31.495 1.737 1.00 0.00 O ATOM 571 OD2 ASP A 39 37.596 -32.741 0.263 1.00 0.00 O ATOM 0 H ASP A 39 41.006 -31.556 1.418 1.00 0.00 H new ATOM 0 HA ASP A 39 41.405 -34.402 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.030 -34.634 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.657 -33.774 2.435 1.00 0.00 H new ATOM 576 N LYS A 40 40.496 -31.955 -1.209 1.00 0.00 N ATOM 577 CA LYS A 40 40.266 -31.567 -2.595 1.00 0.00 C ATOM 578 C LYS A 40 41.201 -30.434 -3.006 1.00 0.00 C ATOM 579 O LYS A 40 41.485 -29.534 -2.216 1.00 0.00 O ATOM 580 CB LYS A 40 38.810 -31.136 -2.790 1.00 0.00 C ATOM 581 CG LYS A 40 38.422 -30.946 -4.246 1.00 0.00 C ATOM 582 CD LYS A 40 37.529 -29.731 -4.432 1.00 0.00 C ATOM 583 CE LYS A 40 36.177 -29.926 -3.764 1.00 0.00 C ATOM 584 NZ LYS A 40 35.051 -29.668 -4.704 1.00 0.00 N ATOM 0 H LYS A 40 40.597 -31.172 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 40 40.472 -32.431 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.155 -31.884 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.641 -30.203 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 40 39.321 -30.833 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.906 -31.836 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 40 38.019 -28.851 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 40 37.387 -29.542 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.105 -30.944 -3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.095 -29.257 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.147 -29.812 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.105 -28.689 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.114 -30.323 -5.509 1.00 0.00 H new ATOM 598 N GLU A 41 41.676 -30.485 -4.247 1.00 0.00 N ATOM 599 CA GLU A 41 42.579 -29.463 -4.761 1.00 0.00 C ATOM 600 C GLU A 41 41.815 -28.421 -5.573 1.00 0.00 C ATOM 601 O GLU A 41 40.729 -28.692 -6.085 1.00 0.00 O ATOM 602 CB GLU A 41 43.668 -30.101 -5.627 1.00 0.00 C ATOM 603 CG GLU A 41 44.508 -31.129 -4.888 1.00 0.00 C ATOM 604 CD GLU A 41 45.401 -31.928 -5.816 1.00 0.00 C ATOM 605 OE1 GLU A 41 45.452 -31.600 -7.020 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.050 -32.882 -5.338 1.00 0.00 O ATOM 0 H GLU A 41 41.450 -31.223 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 41 43.046 -28.966 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.202 -30.577 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.322 -29.317 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 41 45.123 -30.623 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.850 -31.810 -4.348 1.00 0.00 H new ATOM 613 N ILE A 42 42.390 -27.228 -5.684 1.00 0.00 N ATOM 614 CA ILE A 42 41.764 -26.145 -6.433 1.00 0.00 C ATOM 615 C ILE A 42 42.555 -25.821 -7.695 1.00 0.00 C ATOM 616 O ILE A 42 43.781 -25.927 -7.717 1.00 0.00 O ATOM 617 CB ILE A 42 41.636 -24.870 -5.579 1.00 0.00 C ATOM 618 CG1 ILE A 42 41.014 -25.200 -4.220 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.806 -23.825 -6.308 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.622 -25.782 -4.319 1.00 0.00 C ATOM 0 H ILE A 42 43.288 -26.987 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 42 40.767 -26.488 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 42 42.633 -24.461 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.658 -25.906 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.978 -24.293 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.725 -22.930 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.287 -23.572 -7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.810 -24.223 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.243 -25.992 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.964 -25.068 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.654 -26.706 -4.896 1.00 0.00 H new ATOM 632 N PHE A 43 41.845 -25.423 -8.746 1.00 0.00 N ATOM 633 CA PHE A 43 42.481 -25.082 -10.013 1.00 0.00 C ATOM 634 C PHE A 43 42.127 -23.658 -10.433 1.00 0.00 C ATOM 635 O PHE A 43 40.983 -23.368 -10.782 1.00 0.00 O ATOM 636 CB PHE A 43 42.054 -26.068 -11.104 1.00 0.00 C ATOM 637 CG PHE A 43 42.528 -25.685 -12.476 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.769 -24.846 -13.277 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.732 -26.164 -12.967 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.203 -24.491 -14.540 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.171 -25.812 -14.229 1.00 0.00 C ATOM 642 CZ PHE A 43 43.405 -24.976 -15.018 1.00 0.00 C ATOM 0 H PHE A 43 40.829 -25.329 -8.745 1.00 0.00 H new ATOM 0 HA PHE A 43 43.561 -25.145 -9.878 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.438 -27.058 -10.859 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.966 -26.141 -11.111 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.827 -24.465 -12.910 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.334 -26.820 -12.356 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.603 -23.835 -15.153 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.113 -26.190 -14.598 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.745 -24.702 -16.006 1.00 0.00 H new ATOM 652 N PHE A 44 43.119 -22.774 -10.395 1.00 0.00 N ATOM 653 CA PHE A 44 42.913 -21.379 -10.769 1.00 0.00 C ATOM 654 C PHE A 44 43.857 -20.975 -11.898 1.00 0.00 C ATOM 655 O PHE A 44 45.016 -21.389 -11.932 1.00 0.00 O ATOM 656 CB PHE A 44 43.128 -20.468 -9.559 1.00 0.00 C ATOM 657 CG PHE A 44 44.566 -20.356 -9.140 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.387 -19.382 -9.685 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.096 -21.225 -8.201 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.710 -19.277 -9.301 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.419 -21.124 -7.812 1.00 0.00 C ATOM 662 CZ PHE A 44 47.227 -20.150 -8.364 1.00 0.00 C ATOM 0 H PHE A 44 44.072 -22.998 -10.109 1.00 0.00 H new ATOM 0 HA PHE A 44 41.887 -21.270 -11.120 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.747 -19.473 -9.791 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.542 -20.846 -8.721 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.988 -18.697 -10.418 1.00 0.00 H new ATOM 0 HD2 PHE A 44 44.469 -21.990 -7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 44 47.339 -18.513 -9.733 1.00 0.00 H new ATOM 0 HE2 PHE A 44 46.820 -21.806 -7.077 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.261 -20.071 -8.064 1.00 0.00 H new ATOM 672 N HIS A 45 43.351 -20.164 -12.822 1.00 0.00 N ATOM 673 CA HIS A 45 44.148 -19.703 -13.954 1.00 0.00 C ATOM 674 C HIS A 45 44.943 -18.453 -13.585 1.00 0.00 C ATOM 675 O HIS A 45 44.531 -17.676 -12.724 1.00 0.00 O ATOM 676 CB HIS A 45 43.247 -19.413 -15.154 1.00 0.00 C ATOM 677 CG HIS A 45 43.716 -20.055 -16.424 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.698 -19.511 -17.224 1.00 0.00 N ATOM 679 CD2 HIS A 45 43.332 -21.203 -17.029 1.00 0.00 C ATOM 680 CE1 HIS A 45 44.898 -20.296 -18.268 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.081 -21.330 -18.173 1.00 0.00 N ATOM 0 H HIS A 45 42.394 -19.813 -12.809 1.00 0.00 H new ATOM 0 HA HIS A 45 44.850 -20.494 -14.219 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.238 -19.760 -14.932 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.188 -18.335 -15.302 1.00 0.00 H new ATOM 0 HD2 HIS A 45 42.577 -21.891 -16.678 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.608 -20.122 -19.063 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.017 -22.098 -18.841 1.00 0.00 H new ATOM 689 N TYR A 46 46.082 -18.268 -14.242 1.00 0.00 N ATOM 690 CA TYR A 46 46.936 -17.115 -13.982 1.00 0.00 C ATOM 691 C TYR A 46 46.191 -15.812 -14.258 1.00 0.00 C ATOM 692 O TYR A 46 46.483 -14.778 -13.658 1.00 0.00 O ATOM 693 CB TYR A 46 48.200 -17.185 -14.840 1.00 0.00 C ATOM 694 CG TYR A 46 49.388 -17.782 -14.121 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.251 -18.921 -13.338 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.648 -17.205 -14.223 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.334 -19.469 -12.678 1.00 0.00 C ATOM 698 CE2 TYR A 46 51.737 -17.747 -13.568 1.00 0.00 C ATOM 699 CZ TYR A 46 51.575 -18.879 -12.796 1.00 0.00 C ATOM 700 OH TYR A 46 52.656 -19.421 -12.141 1.00 0.00 O ATOM 0 H TYR A 46 46.436 -18.902 -14.959 1.00 0.00 H new ATOM 0 HA TYR A 46 47.219 -17.135 -12.930 1.00 0.00 H new ATOM 0 HB2 TYR A 46 47.991 -17.776 -15.732 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.457 -16.180 -15.176 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.281 -19.386 -13.243 1.00 0.00 H new ATOM 0 HD2 TYR A 46 50.778 -16.318 -14.825 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.209 -20.355 -12.073 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.710 -17.287 -13.660 1.00 0.00 H new ATOM 0 HH TYR A 46 52.859 -20.302 -12.518 1.00 0.00 H new ATOM 710 N SER A 47 45.228 -15.872 -15.172 1.00 0.00 N ATOM 711 CA SER A 47 44.442 -14.697 -15.532 1.00 0.00 C ATOM 712 C SER A 47 43.452 -14.346 -14.426 1.00 0.00 C ATOM 713 O SER A 47 43.109 -13.180 -14.233 1.00 0.00 O ATOM 714 CB SER A 47 43.694 -14.940 -16.844 1.00 0.00 C ATOM 715 OG SER A 47 44.431 -14.448 -17.950 1.00 0.00 O ATOM 0 H SER A 47 44.973 -16.721 -15.677 1.00 0.00 H new ATOM 0 HA SER A 47 45.126 -13.859 -15.662 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.512 -16.007 -16.970 1.00 0.00 H new ATOM 0 HB3 SER A 47 42.720 -14.453 -16.806 1.00 0.00 H new ATOM 0 HG SER A 47 43.932 -14.617 -18.777 1.00 0.00 H new ATOM 721 N GLU A 48 42.996 -15.364 -13.703 1.00 0.00 N ATOM 722 CA GLU A 48 42.044 -15.164 -12.617 1.00 0.00 C ATOM 723 C GLU A 48 42.733 -14.568 -11.393 1.00 0.00 C ATOM 724 O GLU A 48 42.106 -13.883 -10.585 1.00 0.00 O ATOM 725 CB GLU A 48 41.374 -16.488 -12.245 1.00 0.00 C ATOM 726 CG GLU A 48 40.270 -16.902 -13.203 1.00 0.00 C ATOM 727 CD GLU A 48 38.942 -16.246 -12.881 1.00 0.00 C ATOM 728 OE1 GLU A 48 38.937 -15.038 -12.566 1.00 0.00 O ATOM 729 OE2 GLU A 48 37.906 -16.942 -12.944 1.00 0.00 O ATOM 0 H GLU A 48 43.271 -16.335 -13.850 1.00 0.00 H new ATOM 0 HA GLU A 48 41.282 -14.464 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.130 -17.272 -12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.960 -16.406 -11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.561 -16.643 -14.221 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.153 -17.985 -13.171 1.00 0.00 H new ATOM 736 N PHE A 49 44.029 -14.835 -11.262 1.00 0.00 N ATOM 737 CA PHE A 49 44.804 -14.328 -10.136 1.00 0.00 C ATOM 738 C PHE A 49 45.150 -12.855 -10.333 1.00 0.00 C ATOM 739 O PHE A 49 45.686 -12.466 -11.371 1.00 0.00 O ATOM 740 CB PHE A 49 46.085 -15.146 -9.962 1.00 0.00 C ATOM 741 CG PHE A 49 46.791 -14.885 -8.662 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.469 -13.695 -8.453 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.777 -15.830 -7.649 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.119 -13.451 -7.258 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.425 -15.592 -6.451 1.00 0.00 C ATOM 746 CZ PHE A 49 48.098 -14.401 -6.256 1.00 0.00 C ATOM 0 H PHE A 49 44.564 -15.400 -11.922 1.00 0.00 H new ATOM 0 HA PHE A 49 44.196 -14.423 -9.236 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.841 -16.206 -10.027 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.763 -14.924 -10.786 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.490 -12.949 -9.234 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.254 -16.763 -7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.643 -12.518 -7.108 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.405 -16.336 -5.669 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.607 -14.214 -5.322 1.00 0.00 H new ATOM 756 N SER A 50 44.839 -12.041 -9.330 1.00 0.00 N ATOM 757 CA SER A 50 45.113 -10.610 -9.394 1.00 0.00 C ATOM 758 C SER A 50 46.228 -10.226 -8.427 1.00 0.00 C ATOM 759 O SER A 50 46.009 -10.117 -7.221 1.00 0.00 O ATOM 760 CB SER A 50 43.847 -9.812 -9.074 1.00 0.00 C ATOM 761 OG SER A 50 43.456 -9.011 -10.175 1.00 0.00 O ATOM 0 H SER A 50 44.397 -12.348 -8.463 1.00 0.00 H new ATOM 0 HA SER A 50 45.437 -10.372 -10.407 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.039 -10.496 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 50 44.023 -9.179 -8.204 1.00 0.00 H new ATOM 0 HG SER A 50 42.644 -8.513 -9.945 1.00 0.00 H new ATOM 767 N GLY A 51 47.426 -10.022 -8.965 1.00 0.00 N ATOM 768 CA GLY A 51 48.559 -9.653 -8.137 1.00 0.00 C ATOM 769 C GLY A 51 49.861 -10.245 -8.638 1.00 0.00 C ATOM 770 O GLY A 51 50.093 -10.322 -9.844 1.00 0.00 O ATOM 0 H GLY A 51 47.632 -10.106 -9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.645 -8.567 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.382 -9.986 -7.115 1.00 0.00 H new ATOM 774 N ASP A 52 50.715 -10.664 -7.709 1.00 0.00 N ATOM 775 CA ASP A 52 52.001 -11.252 -8.063 1.00 0.00 C ATOM 776 C ASP A 52 51.939 -12.775 -7.998 1.00 0.00 C ATOM 777 O ASP A 52 52.251 -13.376 -6.970 1.00 0.00 O ATOM 778 CB ASP A 52 53.097 -10.733 -7.130 1.00 0.00 C ATOM 779 CG ASP A 52 53.481 -9.298 -7.430 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.778 -8.383 -6.951 1.00 0.00 O ATOM 781 OD2 ASP A 52 54.485 -9.089 -8.143 1.00 0.00 O ATOM 0 H ASP A 52 50.539 -10.607 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 52 52.237 -10.960 -9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 52 52.756 -10.806 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 52 53.978 -11.368 -7.221 1.00 0.00 H new ATOM 786 N VAL A 53 51.533 -13.393 -9.103 1.00 0.00 N ATOM 787 CA VAL A 53 51.430 -14.846 -9.171 1.00 0.00 C ATOM 788 C VAL A 53 52.763 -15.474 -9.565 1.00 0.00 C ATOM 789 O VAL A 53 53.040 -16.626 -9.233 1.00 0.00 O ATOM 790 CB VAL A 53 50.351 -15.285 -10.179 1.00 0.00 C ATOM 791 CG1 VAL A 53 50.716 -14.830 -11.584 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.159 -16.793 -10.130 1.00 0.00 C ATOM 0 H VAL A 53 51.270 -12.911 -9.962 1.00 0.00 H new ATOM 0 HA VAL A 53 51.149 -15.190 -8.176 1.00 0.00 H new ATOM 0 HB VAL A 53 49.408 -14.813 -9.904 1.00 0.00 H new ATOM 0 HG11 VAL A 53 49.942 -15.149 -12.282 1.00 0.00 H new ATOM 0 HG12 VAL A 53 50.798 -13.743 -11.605 1.00 0.00 H new ATOM 0 HG13 VAL A 53 51.670 -15.271 -11.873 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.393 -17.086 -10.848 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.098 -17.288 -10.379 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.848 -17.088 -9.128 1.00 0.00 H new ATOM 802 N ASP A 54 53.584 -14.708 -10.274 1.00 0.00 N ATOM 803 CA ASP A 54 54.890 -15.188 -10.712 1.00 0.00 C ATOM 804 C ASP A 54 55.874 -15.224 -9.548 1.00 0.00 C ATOM 805 O ASP A 54 56.819 -16.013 -9.545 1.00 0.00 O ATOM 806 CB ASP A 54 55.435 -14.298 -11.830 1.00 0.00 C ATOM 807 CG ASP A 54 54.726 -14.528 -13.151 1.00 0.00 C ATOM 808 OD1 ASP A 54 55.047 -15.524 -13.831 1.00 0.00 O ATOM 809 OD2 ASP A 54 53.851 -13.710 -13.504 1.00 0.00 O ATOM 0 H ASP A 54 53.369 -13.752 -10.558 1.00 0.00 H new ATOM 0 HA ASP A 54 54.768 -16.202 -11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 54 55.330 -13.252 -11.542 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.501 -14.488 -11.955 1.00 0.00 H new ATOM 814 N SER A 55 55.647 -14.363 -8.560 1.00 0.00 N ATOM 815 CA SER A 55 56.517 -14.293 -7.392 1.00 0.00 C ATOM 816 C SER A 55 55.888 -15.012 -6.203 1.00 0.00 C ATOM 817 O SER A 55 56.088 -14.623 -5.051 1.00 0.00 O ATOM 818 CB SER A 55 56.802 -12.834 -7.029 1.00 0.00 C ATOM 819 OG SER A 55 58.095 -12.692 -6.467 1.00 0.00 O ATOM 0 H SER A 55 54.868 -13.705 -8.546 1.00 0.00 H new ATOM 0 HA SER A 55 57.456 -14.788 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 55 56.719 -12.211 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.053 -12.479 -6.321 1.00 0.00 H new ATOM 0 HG SER A 55 58.254 -11.751 -6.245 1.00 0.00 H new ATOM 825 N LEU A 56 55.128 -16.062 -6.489 1.00 0.00 N ATOM 826 CA LEU A 56 54.468 -16.837 -5.444 1.00 0.00 C ATOM 827 C LEU A 56 55.389 -17.932 -4.914 1.00 0.00 C ATOM 828 O LEU A 56 56.380 -18.284 -5.553 1.00 0.00 O ATOM 829 CB LEU A 56 53.176 -17.456 -5.979 1.00 0.00 C ATOM 830 CG LEU A 56 51.886 -16.701 -5.656 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.689 -17.396 -6.286 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.702 -16.580 -4.150 1.00 0.00 C ATOM 0 H LEU A 56 54.953 -16.397 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 56 54.227 -16.162 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 56 53.260 -17.544 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 56 53.090 -18.468 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 56 51.960 -15.698 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.780 -16.845 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.817 -17.431 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.611 -18.411 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.779 -16.040 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.649 -17.575 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.546 -16.038 -3.723 1.00 0.00 H new ATOM 844 N GLU A 57 55.052 -18.468 -3.745 1.00 0.00 N ATOM 845 CA GLU A 57 55.849 -19.524 -3.132 1.00 0.00 C ATOM 846 C GLU A 57 54.955 -20.644 -2.607 1.00 0.00 C ATOM 847 O GLU A 57 53.728 -20.551 -2.660 1.00 0.00 O ATOM 848 CB GLU A 57 56.696 -18.956 -1.991 1.00 0.00 C ATOM 849 CG GLU A 57 57.741 -17.952 -2.450 1.00 0.00 C ATOM 850 CD GLU A 57 58.958 -17.923 -1.547 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.786 -18.018 -0.314 1.00 0.00 O ATOM 852 OE2 GLU A 57 60.084 -17.805 -2.074 1.00 0.00 O ATOM 0 H GLU A 57 54.234 -18.189 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 57 56.509 -19.936 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.039 -18.477 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.195 -19.777 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.053 -18.196 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.294 -16.958 -2.484 1.00 0.00 H new ATOM 859 N LEU A 58 55.579 -21.702 -2.102 1.00 0.00 N ATOM 860 CA LEU A 58 54.842 -22.842 -1.568 1.00 0.00 C ATOM 861 C LEU A 58 54.553 -22.656 -0.082 1.00 0.00 C ATOM 862 O LEU A 58 55.471 -22.555 0.732 1.00 0.00 O ATOM 863 CB LEU A 58 55.631 -24.134 -1.788 1.00 0.00 C ATOM 864 CG LEU A 58 56.174 -24.356 -3.200 1.00 0.00 C ATOM 865 CD1 LEU A 58 57.047 -25.601 -3.246 1.00 0.00 C ATOM 866 CD2 LEU A 58 55.032 -24.466 -4.199 1.00 0.00 C ATOM 0 H LEU A 58 56.594 -21.794 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 58 53.892 -22.909 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.469 -24.147 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 58 54.989 -24.977 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 58 56.787 -23.497 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.425 -25.743 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.885 -25.483 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.457 -26.470 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 58 55.437 -24.624 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.393 -25.307 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.447 -23.546 -4.186 1.00 0.00 H new ATOM 878 N GLY A 59 53.270 -22.614 0.267 1.00 0.00 N ATOM 879 CA GLY A 59 52.884 -22.442 1.655 1.00 0.00 C ATOM 880 C GLY A 59 52.280 -21.078 1.924 1.00 0.00 C ATOM 881 O GLY A 59 51.568 -20.891 2.911 1.00 0.00 O ATOM 0 H GLY A 59 52.492 -22.696 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.165 -23.214 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 59 53.758 -22.581 2.292 1.00 0.00 H new ATOM 885 N ASP A 60 52.565 -20.123 1.046 1.00 0.00 N ATOM 886 CA ASP A 60 52.045 -18.768 1.194 1.00 0.00 C ATOM 887 C ASP A 60 50.524 -18.780 1.313 1.00 0.00 C ATOM 888 O ASP A 60 49.853 -19.630 0.730 1.00 0.00 O ATOM 889 CB ASP A 60 52.470 -17.904 0.006 1.00 0.00 C ATOM 890 CG ASP A 60 53.550 -16.905 0.373 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.723 -17.318 0.495 1.00 0.00 O ATOM 892 OD2 ASP A 60 53.223 -15.712 0.538 1.00 0.00 O ATOM 0 H ASP A 60 53.153 -20.262 0.224 1.00 0.00 H new ATOM 0 HA ASP A 60 52.459 -18.343 2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.832 -18.547 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.602 -17.370 -0.380 1.00 0.00 H new ATOM 897 N MET A 61 49.988 -17.831 2.074 1.00 0.00 N ATOM 898 CA MET A 61 48.546 -17.733 2.269 1.00 0.00 C ATOM 899 C MET A 61 47.902 -16.914 1.155 1.00 0.00 C ATOM 900 O MET A 61 48.466 -15.921 0.694 1.00 0.00 O ATOM 901 CB MET A 61 48.236 -17.101 3.627 1.00 0.00 C ATOM 902 CG MET A 61 47.969 -18.119 4.724 1.00 0.00 C ATOM 903 SD MET A 61 48.903 -17.781 6.228 1.00 0.00 S ATOM 904 CE MET A 61 50.528 -18.366 5.756 1.00 0.00 C ATOM 0 H MET A 61 50.530 -17.120 2.565 1.00 0.00 H new ATOM 0 HA MET A 61 48.131 -18.740 2.242 1.00 0.00 H new ATOM 0 HB2 MET A 61 49.073 -16.470 3.924 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.367 -16.451 3.526 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.904 -18.126 4.956 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.222 -19.115 4.360 1.00 0.00 H new ATOM 0 HE1 MET A 61 51.221 -18.224 6.585 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.475 -19.425 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.879 -17.805 4.890 1.00 0.00 H new ATOM 914 N VAL A 62 46.716 -17.336 0.726 1.00 0.00 N ATOM 915 CA VAL A 62 45.995 -16.641 -0.333 1.00 0.00 C ATOM 916 C VAL A 62 44.505 -16.560 -0.021 1.00 0.00 C ATOM 917 O VAL A 62 44.030 -17.159 0.943 1.00 0.00 O ATOM 918 CB VAL A 62 46.186 -17.338 -1.693 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.602 -17.126 -2.207 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.868 -18.821 -1.581 1.00 0.00 C ATOM 0 H VAL A 62 46.235 -18.156 1.096 1.00 0.00 H new ATOM 0 HA VAL A 62 46.407 -15.634 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 62 45.494 -16.895 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.719 -17.625 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.790 -16.059 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.314 -17.541 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.008 -19.297 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.533 -19.282 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.834 -18.948 -1.260 1.00 0.00 H new ATOM 930 N GLU A 63 43.773 -15.817 -0.845 1.00 0.00 N ATOM 931 CA GLU A 63 42.335 -15.658 -0.656 1.00 0.00 C ATOM 932 C GLU A 63 41.584 -15.917 -1.959 1.00 0.00 C ATOM 933 O GLU A 63 41.881 -15.313 -2.990 1.00 0.00 O ATOM 934 CB GLU A 63 42.018 -14.252 -0.143 1.00 0.00 C ATOM 935 CG GLU A 63 40.626 -14.121 0.452 1.00 0.00 C ATOM 936 CD GLU A 63 40.306 -12.702 0.880 1.00 0.00 C ATOM 937 OE1 GLU A 63 40.119 -11.842 -0.005 1.00 0.00 O ATOM 938 OE2 GLU A 63 40.243 -12.452 2.102 1.00 0.00 O ATOM 0 H GLU A 63 44.151 -15.316 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 63 42.008 -16.389 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.754 -13.975 0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 63 42.121 -13.543 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 63 39.889 -14.450 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.539 -14.785 1.312 1.00 0.00 H new ATOM 945 N TYR A 64 40.610 -16.818 -1.904 1.00 0.00 N ATOM 946 CA TYR A 64 39.817 -17.160 -3.079 1.00 0.00 C ATOM 947 C TYR A 64 38.342 -17.309 -2.717 1.00 0.00 C ATOM 948 O TYR A 64 37.966 -17.214 -1.549 1.00 0.00 O ATOM 949 CB TYR A 64 40.332 -18.455 -3.708 1.00 0.00 C ATOM 950 CG TYR A 64 40.206 -19.660 -2.804 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.140 -19.903 -1.803 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.155 -20.557 -2.949 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.030 -21.002 -0.975 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.036 -21.658 -2.124 1.00 0.00 C ATOM 955 CZ TYR A 64 39.976 -21.877 -1.139 1.00 0.00 C ATOM 956 OH TYR A 64 39.862 -22.974 -0.316 1.00 0.00 O ATOM 0 H TYR A 64 40.350 -17.325 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 64 39.915 -16.349 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.783 -18.644 -4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.379 -18.325 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 64 41.966 -19.220 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.418 -20.390 -3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 64 41.765 -21.176 -0.203 1.00 0.00 H new ATOM 0 HE2 TYR A 64 38.211 -22.344 -2.250 1.00 0.00 H new ATOM 0 HH TYR A 64 39.065 -23.487 -0.563 1.00 0.00 H new ATOM 966 N SER A 65 37.512 -17.543 -3.728 1.00 0.00 N ATOM 967 CA SER A 65 36.078 -17.702 -3.519 1.00 0.00 C ATOM 968 C SER A 65 35.528 -18.845 -4.367 1.00 0.00 C ATOM 969 O SER A 65 36.202 -19.343 -5.270 1.00 0.00 O ATOM 970 CB SER A 65 35.345 -16.403 -3.857 1.00 0.00 C ATOM 971 OG SER A 65 36.075 -15.635 -4.798 1.00 0.00 O ATOM 0 H SER A 65 37.808 -17.627 -4.700 1.00 0.00 H new ATOM 0 HA SER A 65 35.914 -17.941 -2.468 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.358 -16.633 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 65 35.192 -15.821 -2.948 1.00 0.00 H new ATOM 0 HG SER A 65 35.584 -14.811 -4.999 1.00 0.00 H new ATOM 977 N LEU A 66 34.301 -19.256 -4.070 1.00 0.00 N ATOM 978 CA LEU A 66 33.659 -20.341 -4.804 1.00 0.00 C ATOM 979 C LEU A 66 32.239 -19.958 -5.209 1.00 0.00 C ATOM 980 O LEU A 66 31.528 -19.288 -4.460 1.00 0.00 O ATOM 981 CB LEU A 66 33.634 -21.613 -3.955 1.00 0.00 C ATOM 982 CG LEU A 66 34.996 -22.215 -3.609 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.824 -23.525 -2.855 1.00 0.00 C ATOM 984 CD2 LEU A 66 35.822 -22.428 -4.869 1.00 0.00 C ATOM 0 H LEU A 66 33.730 -18.855 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 66 34.238 -20.527 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.109 -21.395 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.049 -22.367 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 66 35.528 -21.515 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.804 -23.939 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.273 -23.344 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.272 -24.232 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.788 -22.857 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.295 -23.108 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 66 35.975 -21.472 -5.369 1.00 0.00 H new ATOM 1117 N SER A 75 36.303 -24.989 -8.903 1.00 0.00 N ATOM 1118 CA SER A 75 37.508 -24.204 -9.146 1.00 0.00 C ATOM 1119 C SER A 75 37.432 -22.857 -8.433 1.00 0.00 C ATOM 1120 O SER A 75 36.357 -22.419 -8.023 1.00 0.00 O ATOM 1121 CB SER A 75 37.708 -23.988 -10.647 1.00 0.00 C ATOM 1122 OG SER A 75 36.777 -24.745 -11.400 1.00 0.00 O ATOM 0 HA SER A 75 38.359 -24.758 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 75 37.597 -22.930 -10.883 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.723 -24.272 -10.926 1.00 0.00 H new ATOM 0 HG SER A 75 36.055 -25.053 -10.813 1.00 0.00 H new ATOM 1128 N ALA A 76 38.581 -22.205 -8.288 1.00 0.00 N ATOM 1129 CA ALA A 76 38.645 -20.908 -7.626 1.00 0.00 C ATOM 1130 C ALA A 76 38.484 -19.771 -8.630 1.00 0.00 C ATOM 1131 O ALA A 76 38.710 -19.952 -9.826 1.00 0.00 O ATOM 1132 CB ALA A 76 39.957 -20.765 -6.870 1.00 0.00 C ATOM 0 H ALA A 76 39.480 -22.554 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 76 37.821 -20.850 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 76 39.991 -19.792 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.032 -21.551 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.790 -20.849 -7.568 1.00 0.00 H new ATOM 1138 N GLU A 77 38.092 -18.601 -8.135 1.00 0.00 N ATOM 1139 CA GLU A 77 37.901 -17.436 -8.991 1.00 0.00 C ATOM 1140 C GLU A 77 38.328 -16.159 -8.274 1.00 0.00 C ATOM 1141 O GLU A 77 38.031 -15.965 -7.095 1.00 0.00 O ATOM 1142 CB GLU A 77 36.436 -17.327 -9.421 1.00 0.00 C ATOM 1143 CG GLU A 77 35.476 -17.114 -8.263 1.00 0.00 C ATOM 1144 CD GLU A 77 34.025 -17.095 -8.703 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.778 -16.973 -9.921 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.138 -17.201 -7.831 1.00 0.00 O ATOM 0 H GLU A 77 37.901 -18.435 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 77 38.524 -17.561 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.333 -16.500 -10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.154 -18.235 -9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.618 -17.906 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.714 -16.173 -7.768 1.00 0.00 H new ATOM 1153 N LYS A 78 39.028 -15.289 -8.995 1.00 0.00 N ATOM 1154 CA LYS A 78 39.497 -14.029 -8.431 1.00 0.00 C ATOM 1155 C LYS A 78 40.360 -14.273 -7.197 1.00 0.00 C ATOM 1156 O LYS A 78 39.967 -13.945 -6.077 1.00 0.00 O ATOM 1157 CB LYS A 78 38.309 -13.136 -8.067 1.00 0.00 C ATOM 1158 CG LYS A 78 37.274 -13.020 -9.172 1.00 0.00 C ATOM 1159 CD LYS A 78 37.836 -12.304 -10.389 1.00 0.00 C ATOM 1160 CE LYS A 78 36.872 -11.247 -10.908 1.00 0.00 C ATOM 1161 NZ LYS A 78 37.571 -10.208 -11.713 1.00 0.00 N ATOM 0 H LYS A 78 39.283 -15.434 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 78 40.104 -13.526 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.829 -13.531 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.676 -12.140 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 78 36.934 -14.015 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.403 -12.480 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 78 38.786 -11.836 -10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 78 38.041 -13.029 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 78 36.104 -11.723 -11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 78 36.364 -10.774 -10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 36.881 -9.506 -12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 38.286 -9.736 -11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 38.035 -10.655 -12.529 1.00 0.00 H new ATOM 1175 N VAL A 79 41.539 -14.850 -7.409 1.00 0.00 N ATOM 1176 CA VAL A 79 42.458 -15.136 -6.314 1.00 0.00 C ATOM 1177 C VAL A 79 43.399 -13.962 -6.066 1.00 0.00 C ATOM 1178 O VAL A 79 43.852 -13.307 -7.004 1.00 0.00 O ATOM 1179 CB VAL A 79 43.294 -16.398 -6.598 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.197 -16.717 -5.416 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.387 -17.576 -6.920 1.00 0.00 C ATOM 0 H VAL A 79 41.880 -15.128 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 79 41.849 -15.305 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 79 43.925 -16.207 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.780 -17.612 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.871 -15.879 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.588 -16.889 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.994 -18.459 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.729 -17.771 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.787 -17.343 -7.800 1.00 0.00 H new ATOM 1191 N ASN A 80 43.688 -13.701 -4.795 1.00 0.00 N ATOM 1192 CA ASN A 80 44.576 -12.605 -4.423 1.00 0.00 C ATOM 1193 C ASN A 80 45.330 -12.929 -3.136 1.00 0.00 C ATOM 1194 O ASN A 80 44.763 -13.481 -2.193 1.00 0.00 O ATOM 1195 CB ASN A 80 43.777 -11.312 -4.248 1.00 0.00 C ATOM 1196 CG ASN A 80 43.115 -11.221 -2.886 1.00 0.00 C ATOM 1197 OD1 ASN A 80 42.154 -11.936 -2.603 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.627 -10.339 -2.037 1.00 0.00 N ATOM 0 H ASN A 80 43.321 -14.233 -4.006 1.00 0.00 H new ATOM 0 HA ASN A 80 45.302 -12.470 -5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.440 -10.457 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.014 -11.251 -5.024 1.00 0.00 H new ATOM 0 HD21 ASN A 80 43.223 -10.233 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.425 -9.767 -2.315 1.00 0.00 H new ATOM 1205 N LYS A 81 46.611 -12.581 -3.105 1.00 0.00 N ATOM 1206 CA LYS A 81 47.444 -12.831 -1.935 1.00 0.00 C ATOM 1207 C LYS A 81 46.921 -12.069 -0.721 1.00 0.00 C ATOM 1208 O LYS A 81 46.425 -10.949 -0.845 1.00 0.00 O ATOM 1209 CB LYS A 81 48.893 -12.427 -2.218 1.00 0.00 C ATOM 1210 CG LYS A 81 49.809 -13.606 -2.500 1.00 0.00 C ATOM 1211 CD LYS A 81 50.871 -13.756 -1.424 1.00 0.00 C ATOM 1212 CE LYS A 81 51.975 -12.721 -1.581 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.463 -12.226 -0.264 1.00 0.00 N ATOM 0 H LYS A 81 47.096 -12.124 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 81 47.407 -13.898 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.912 -11.750 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.281 -11.873 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.219 -14.520 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.288 -13.472 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 81 50.411 -13.653 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.300 -14.757 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.806 -13.158 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.605 -11.882 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.214 -11.523 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 51.676 -11.787 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 52.840 -13.023 0.288 1.00 0.00 H new ATOM 1227 N THR A 82 47.037 -12.683 0.452 1.00 0.00 N ATOM 1228 CA THR A 82 46.576 -12.063 1.688 1.00 0.00 C ATOM 1229 C THR A 82 47.662 -12.094 2.757 1.00 0.00 C ATOM 1230 O THR A 82 48.278 -13.132 3.000 1.00 0.00 O ATOM 1231 CB THR A 82 45.316 -12.762 2.232 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.911 -12.154 3.464 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.572 -14.245 2.452 1.00 0.00 C ATOM 0 H THR A 82 47.446 -13.609 0.572 1.00 0.00 H new ATOM 0 HA THR A 82 46.333 -11.027 1.450 1.00 0.00 H new ATOM 0 HB THR A 82 44.520 -12.653 1.495 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.108 -12.603 3.802 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.668 -14.717 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.851 -14.710 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.381 -14.372 3.171 1.00 0.00 H new