USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 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= -0.0334 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -89:sc= 0.305 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0189 F(o=-1.3,f=-0.019) USER MOD Single : A 38 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.32) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.034 X(o=-0.034,f=-0.013) USER MOD Single : A 46 TYR OH : rot 65:sc= 1.3 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 -123:sc= 0 (180deg=-0.475) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 109:sc= 0.338 USER MOD Single : A 75 SER OG : rot -2:sc= 0.823 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0926 X(o=-0.093,f=-0.41) 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 34.530 -15.621 1.983 1.00 0.00 N ATOM 232 CA ARG A 18 35.984 -15.553 1.905 1.00 0.00 C ATOM 233 C ARG A 18 36.619 -16.810 2.494 1.00 0.00 C ATOM 234 O ARG A 18 36.222 -17.277 3.562 1.00 0.00 O ATOM 235 CB ARG A 18 36.498 -14.315 2.643 1.00 0.00 C ATOM 236 CG ARG A 18 36.227 -14.342 4.139 1.00 0.00 C ATOM 237 CD ARG A 18 37.435 -14.844 4.914 1.00 0.00 C ATOM 238 NE ARG A 18 37.832 -13.916 5.970 1.00 0.00 N ATOM 239 CZ ARG A 18 38.872 -14.116 6.772 1.00 0.00 C ATOM 240 NH1 ARG A 18 39.617 -15.204 6.637 1.00 0.00 N ATOM 241 NH2 ARG A 18 39.169 -13.225 7.709 1.00 0.00 N ATOM 0 HA ARG A 18 36.264 -15.483 0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 18 37.572 -14.224 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 18 36.033 -13.427 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 18 35.964 -13.341 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.370 -14.984 4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 18 37.206 -15.816 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 18 38.270 -14.992 4.229 1.00 0.00 H new ATOM 0 HE ARG A 18 37.280 -13.068 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 18 39.392 -15.890 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 18 40.415 -15.355 7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 18 38.599 -12.386 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 18 39.968 -13.379 8.324 1.00 0.00 H new ATOM 255 N LEU A 19 37.607 -17.351 1.791 1.00 0.00 N ATOM 256 CA LEU A 19 38.298 -18.554 2.243 1.00 0.00 C ATOM 257 C LEU A 19 39.807 -18.414 2.069 1.00 0.00 C ATOM 258 O LEU A 19 40.278 -17.614 1.259 1.00 0.00 O ATOM 259 CB LEU A 19 37.796 -19.775 1.470 1.00 0.00 C ATOM 260 CG LEU A 19 36.279 -19.894 1.315 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.931 -20.917 0.245 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.634 -20.266 2.642 1.00 0.00 C ATOM 0 H LEU A 19 37.948 -16.976 0.906 1.00 0.00 H new ATOM 0 HA LEU A 19 38.084 -18.689 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 19 38.243 -19.760 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.162 -20.672 1.970 1.00 0.00 H new ATOM 0 HG LEU A 19 35.888 -18.925 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.848 -20.988 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.361 -20.607 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.335 -21.889 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.555 -20.346 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.030 -21.222 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.854 -19.497 3.382 1.00 0.00 H new ATOM 274 N LEU A 20 40.560 -19.197 2.834 1.00 0.00 N ATOM 275 CA LEU A 20 42.017 -19.162 2.763 1.00 0.00 C ATOM 276 C LEU A 20 42.579 -20.540 2.429 1.00 0.00 C ATOM 277 O LEU A 20 41.995 -21.563 2.783 1.00 0.00 O ATOM 278 CB LEU A 20 42.600 -18.669 4.088 1.00 0.00 C ATOM 279 CG LEU A 20 42.453 -17.173 4.371 1.00 0.00 C ATOM 280 CD1 LEU A 20 43.048 -16.825 5.726 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.114 -16.355 3.270 1.00 0.00 C ATOM 0 H LEU A 20 40.186 -19.863 3.510 1.00 0.00 H new ATOM 0 HA LEU A 20 42.301 -18.472 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 20 42.124 -19.220 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.660 -18.920 4.111 1.00 0.00 H new ATOM 0 HG LEU A 20 41.391 -16.929 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.934 -15.757 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.530 -17.384 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 20 44.107 -17.084 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 20 43.000 -15.293 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.174 -16.603 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.642 -16.582 2.314 1.00 0.00 H new ATOM 293 N GLY A 21 43.720 -20.559 1.745 1.00 0.00 N ATOM 294 CA GLY A 21 44.343 -21.816 1.377 1.00 0.00 C ATOM 295 C GLY A 21 45.856 -21.730 1.360 1.00 0.00 C ATOM 296 O GLY A 21 46.428 -20.672 1.626 1.00 0.00 O ATOM 0 H GLY A 21 44.223 -19.726 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.034 -22.590 2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.988 -22.119 0.392 1.00 0.00 H new ATOM 300 N TYR A 22 46.507 -22.846 1.050 1.00 0.00 N ATOM 301 CA TYR A 22 47.964 -22.893 1.005 1.00 0.00 C ATOM 302 C TYR A 22 48.451 -23.356 -0.365 1.00 0.00 C ATOM 303 O TYR A 22 48.010 -24.384 -0.879 1.00 0.00 O ATOM 304 CB TYR A 22 48.499 -23.828 2.091 1.00 0.00 C ATOM 305 CG TYR A 22 48.008 -23.485 3.480 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.299 -22.254 4.056 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.255 -24.391 4.216 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.853 -21.936 5.325 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.804 -24.082 5.484 1.00 0.00 C ATOM 310 CZ TYR A 22 47.106 -22.853 6.035 1.00 0.00 C ATOM 311 OH TYR A 22 46.660 -22.542 7.299 1.00 0.00 O ATOM 0 H TYR A 22 46.049 -23.730 0.826 1.00 0.00 H new ATOM 0 HA TYR A 22 48.341 -21.886 1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.208 -24.851 1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.589 -23.797 2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 22 48.883 -21.534 3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 22 47.018 -25.354 3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.088 -20.975 5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 22 46.218 -24.798 6.041 1.00 0.00 H new ATOM 0 HH TYR A 22 46.148 -23.296 7.660 1.00 0.00 H new ATOM 321 N VAL A 23 49.366 -22.590 -0.950 1.00 0.00 N ATOM 322 CA VAL A 23 49.917 -22.921 -2.259 1.00 0.00 C ATOM 323 C VAL A 23 50.623 -24.272 -2.233 1.00 0.00 C ATOM 324 O VAL A 23 51.762 -24.380 -1.781 1.00 0.00 O ATOM 325 CB VAL A 23 50.909 -21.845 -2.739 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.443 -22.190 -4.121 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.248 -20.475 -2.740 1.00 0.00 C ATOM 0 H VAL A 23 49.742 -21.736 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 23 49.078 -22.966 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 23 51.751 -21.816 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.142 -21.419 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.955 -23.151 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.615 -22.247 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 23 50.963 -19.726 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.387 -20.487 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 23 49.920 -20.229 -1.730 1.00 0.00 H new ATOM 337 N ALA A 24 49.938 -25.301 -2.721 1.00 0.00 N ATOM 338 CA ALA A 24 50.500 -26.646 -2.756 1.00 0.00 C ATOM 339 C ALA A 24 51.529 -26.781 -3.873 1.00 0.00 C ATOM 340 O ALA A 24 52.595 -27.369 -3.683 1.00 0.00 O ATOM 341 CB ALA A 24 49.393 -27.676 -2.927 1.00 0.00 C ATOM 0 H ALA A 24 48.993 -25.229 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 24 51.006 -26.827 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.827 -28.676 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.696 -27.603 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.862 -27.488 -3.860 1.00 0.00 H new ATOM 347 N THR A 25 51.204 -26.235 -5.041 1.00 0.00 N ATOM 348 CA THR A 25 52.099 -26.297 -6.189 1.00 0.00 C ATOM 349 C THR A 25 51.868 -25.120 -7.131 1.00 0.00 C ATOM 350 O THR A 25 50.732 -24.689 -7.334 1.00 0.00 O ATOM 351 CB THR A 25 51.917 -27.610 -6.973 1.00 0.00 C ATOM 352 OG1 THR A 25 52.175 -28.730 -6.119 1.00 0.00 O ATOM 353 CG2 THR A 25 52.850 -27.657 -8.174 1.00 0.00 C ATOM 0 H THR A 25 50.327 -25.745 -5.216 1.00 0.00 H new ATOM 0 HA THR A 25 53.116 -26.253 -5.799 1.00 0.00 H new ATOM 0 HB THR A 25 50.888 -27.655 -7.330 1.00 0.00 H new ATOM 0 HG1 THR A 25 52.056 -29.561 -6.624 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.703 -28.593 -8.712 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.632 -26.820 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.884 -27.592 -7.834 1.00 0.00 H new ATOM 361 N LEU A 26 52.950 -24.605 -7.703 1.00 0.00 N ATOM 362 CA LEU A 26 52.865 -23.478 -8.625 1.00 0.00 C ATOM 363 C LEU A 26 53.578 -23.792 -9.936 1.00 0.00 C ATOM 364 O LEU A 26 54.783 -24.043 -9.956 1.00 0.00 O ATOM 365 CB LEU A 26 53.472 -22.226 -7.988 1.00 0.00 C ATOM 366 CG LEU A 26 52.490 -21.283 -7.293 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.227 -20.347 -6.348 1.00 0.00 C ATOM 368 CD2 LEU A 26 51.694 -20.490 -8.319 1.00 0.00 C ATOM 0 H LEU A 26 53.897 -24.950 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 26 51.812 -23.295 -8.840 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.220 -22.540 -7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 26 53.996 -21.666 -8.763 1.00 0.00 H new ATOM 0 HG LEU A 26 51.793 -21.883 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.512 -19.683 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.751 -20.932 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 26 53.947 -19.754 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.000 -19.824 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 26 52.376 -19.901 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.135 -21.176 -8.955 1.00 0.00 H new ATOM 380 N LYS A 27 52.825 -23.773 -11.031 1.00 0.00 N ATOM 381 CA LYS A 27 53.384 -24.052 -12.349 1.00 0.00 C ATOM 382 C LYS A 27 53.584 -22.763 -13.140 1.00 0.00 C ATOM 383 O LYS A 27 53.395 -21.666 -12.614 1.00 0.00 O ATOM 384 CB LYS A 27 52.467 -25.002 -13.124 1.00 0.00 C ATOM 385 CG LYS A 27 52.205 -26.314 -12.407 1.00 0.00 C ATOM 386 CD LYS A 27 53.289 -27.338 -12.702 1.00 0.00 C ATOM 387 CE LYS A 27 54.254 -27.480 -11.535 1.00 0.00 C ATOM 388 NZ LYS A 27 55.439 -28.307 -11.894 1.00 0.00 N ATOM 0 H LYS A 27 51.826 -23.567 -11.032 1.00 0.00 H new ATOM 0 HA LYS A 27 54.355 -24.527 -12.211 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.516 -24.503 -13.311 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.913 -25.212 -14.096 1.00 0.00 H new ATOM 0 HG2 LYS A 27 52.152 -26.138 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.237 -26.710 -12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 27 52.830 -28.303 -12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.838 -27.041 -13.596 1.00 0.00 H new ATOM 0 HE2 LYS A 27 54.584 -26.492 -11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 27 53.737 -27.934 -10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 56.073 -28.380 -11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 55.126 -29.258 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 55.947 -27.861 -12.684 1.00 0.00 H new ATOM 402 N ASP A 28 53.965 -22.903 -14.404 1.00 0.00 N ATOM 403 CA ASP A 28 54.188 -21.750 -15.268 1.00 0.00 C ATOM 404 C ASP A 28 52.950 -21.455 -16.110 1.00 0.00 C ATOM 405 O ASP A 28 53.057 -21.090 -17.280 1.00 0.00 O ATOM 406 CB ASP A 28 55.393 -21.991 -16.177 1.00 0.00 C ATOM 407 CG ASP A 28 56.690 -22.111 -15.401 1.00 0.00 C ATOM 408 OD1 ASP A 28 56.904 -21.300 -14.475 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.489 -23.016 -15.717 1.00 0.00 O ATOM 0 H ASP A 28 54.126 -23.804 -14.854 1.00 0.00 H new ATOM 0 HA ASP A 28 54.389 -20.886 -14.634 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.233 -22.902 -16.754 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.475 -21.172 -16.891 1.00 0.00 H new ATOM 414 N ASN A 29 51.777 -21.617 -15.507 1.00 0.00 N ATOM 415 CA ASN A 29 50.519 -21.370 -16.202 1.00 0.00 C ATOM 416 C ASN A 29 49.350 -21.356 -15.222 1.00 0.00 C ATOM 417 O ASN A 29 48.496 -20.470 -15.270 1.00 0.00 O ATOM 418 CB ASN A 29 50.288 -22.435 -17.275 1.00 0.00 C ATOM 419 CG ASN A 29 49.803 -21.842 -18.584 1.00 0.00 C ATOM 420 OD1 ASN A 29 48.680 -21.347 -18.676 1.00 0.00 O ATOM 421 ND2 ASN A 29 50.651 -21.890 -19.605 1.00 0.00 N ATOM 0 H ASN A 29 51.671 -21.918 -14.538 1.00 0.00 H new ATOM 0 HA ASN A 29 50.581 -20.392 -16.679 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.216 -22.980 -17.448 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.557 -23.158 -16.914 1.00 0.00 H new ATOM 0 HD21 ASN A 29 50.381 -21.507 -20.511 1.00 0.00 H new ATOM 0 HD22 ASN A 29 51.573 -22.310 -19.483 1.00 0.00 H new ATOM 428 N PHE A 30 49.318 -22.344 -14.334 1.00 0.00 N ATOM 429 CA PHE A 30 48.253 -22.446 -13.343 1.00 0.00 C ATOM 430 C PHE A 30 48.780 -23.037 -12.038 1.00 0.00 C ATOM 431 O PHE A 30 49.661 -23.896 -12.043 1.00 0.00 O ATOM 432 CB PHE A 30 47.109 -23.308 -13.880 1.00 0.00 C ATOM 433 CG PHE A 30 47.569 -24.592 -14.508 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.045 -25.631 -13.724 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.524 -24.761 -15.883 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.469 -26.813 -14.301 1.00 0.00 C ATOM 437 CE2 PHE A 30 47.947 -25.941 -16.465 1.00 0.00 C ATOM 438 CZ PHE A 30 48.419 -26.969 -15.672 1.00 0.00 C ATOM 0 H PHE A 30 50.017 -23.085 -14.280 1.00 0.00 H new ATOM 0 HA PHE A 30 47.879 -21.442 -13.143 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.424 -23.537 -13.064 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.547 -22.734 -14.616 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.085 -25.516 -12.651 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.154 -23.961 -16.507 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.839 -27.615 -13.679 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.909 -26.059 -17.538 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.748 -27.893 -16.124 1.00 0.00 H new ATOM 448 N GLY A 31 48.234 -22.568 -10.920 1.00 0.00 N ATOM 449 CA GLY A 31 48.661 -23.060 -9.623 1.00 0.00 C ATOM 450 C GLY A 31 47.601 -23.906 -8.946 1.00 0.00 C ATOM 451 O GLY A 31 46.480 -24.022 -9.441 1.00 0.00 O ATOM 0 H GLY A 31 47.504 -21.856 -10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.570 -23.649 -9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.911 -22.215 -8.982 1.00 0.00 H new ATOM 455 N PHE A 32 47.957 -24.501 -7.812 1.00 0.00 N ATOM 456 CA PHE A 32 47.029 -25.343 -7.067 1.00 0.00 C ATOM 457 C PHE A 32 47.001 -24.951 -5.593 1.00 0.00 C ATOM 458 O PHE A 32 48.032 -24.611 -5.011 1.00 0.00 O ATOM 459 CB PHE A 32 47.418 -26.816 -7.208 1.00 0.00 C ATOM 460 CG PHE A 32 47.276 -27.343 -8.607 1.00 0.00 C ATOM 461 CD1 PHE A 32 46.022 -27.570 -9.152 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.396 -27.611 -9.378 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.887 -28.054 -10.439 1.00 0.00 C ATOM 464 CE2 PHE A 32 48.267 -28.095 -10.666 1.00 0.00 C ATOM 465 CZ PHE A 32 47.012 -28.318 -11.197 1.00 0.00 C ATOM 0 H PHE A 32 48.881 -24.415 -7.389 1.00 0.00 H new ATOM 0 HA PHE A 32 46.032 -25.196 -7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.451 -26.943 -6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.798 -27.413 -6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 32 45.140 -27.366 -8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.380 -27.440 -8.968 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.904 -28.226 -10.852 1.00 0.00 H new ATOM 0 HE2 PHE A 32 49.148 -28.299 -11.257 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.910 -28.698 -12.203 1.00 0.00 H new ATOM 475 N ILE A 33 45.816 -25.002 -4.995 1.00 0.00 N ATOM 476 CA ILE A 33 45.654 -24.653 -3.589 1.00 0.00 C ATOM 477 C ILE A 33 45.158 -25.846 -2.780 1.00 0.00 C ATOM 478 O ILE A 33 44.253 -26.564 -3.206 1.00 0.00 O ATOM 479 CB ILE A 33 44.671 -23.481 -3.409 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.125 -22.275 -4.234 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.552 -23.110 -1.939 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.096 -21.168 -4.304 1.00 0.00 C ATOM 0 H ILE A 33 44.954 -25.282 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 33 46.636 -24.352 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 33 43.689 -23.792 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.045 -21.878 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.361 -22.605 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.854 -22.280 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.187 -23.969 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.530 -22.815 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.486 -20.346 -4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.182 -21.549 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.877 -20.810 -3.298 1.00 0.00 H new ATOM 494 N GLU A 34 45.755 -26.051 -1.610 1.00 0.00 N ATOM 495 CA GLU A 34 45.373 -27.158 -0.741 1.00 0.00 C ATOM 496 C GLU A 34 44.467 -26.675 0.388 1.00 0.00 C ATOM 497 O GLU A 34 44.759 -25.679 1.052 1.00 0.00 O ATOM 498 CB GLU A 34 46.617 -27.831 -0.158 1.00 0.00 C ATOM 499 CG GLU A 34 46.748 -29.298 -0.535 1.00 0.00 C ATOM 500 CD GLU A 34 48.144 -29.838 -0.297 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.865 -29.270 0.550 1.00 0.00 O ATOM 502 OE2 GLU A 34 48.516 -30.831 -0.958 1.00 0.00 O ATOM 0 H GLU A 34 46.505 -25.465 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 34 44.823 -27.884 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.503 -27.296 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.591 -27.744 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.033 -29.883 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.488 -29.424 -1.586 1.00 0.00 H new ATOM 509 N THR A 35 43.364 -27.387 0.599 1.00 0.00 N ATOM 510 CA THR A 35 42.414 -27.031 1.645 1.00 0.00 C ATOM 511 C THR A 35 42.920 -27.461 3.017 1.00 0.00 C ATOM 512 O THR A 35 43.704 -28.402 3.133 1.00 0.00 O ATOM 513 CB THR A 35 41.036 -27.673 1.395 1.00 0.00 C ATOM 514 OG1 THR A 35 41.196 -29.051 1.040 1.00 0.00 O ATOM 515 CG2 THR A 35 40.291 -26.942 0.289 1.00 0.00 C ATOM 0 H THR A 35 43.107 -28.213 0.059 1.00 0.00 H new ATOM 0 HA THR A 35 42.311 -25.946 1.622 1.00 0.00 H new ATOM 0 HB THR A 35 40.453 -27.600 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 35 41.295 -29.129 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.321 -27.413 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.146 -25.900 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 35 40.871 -26.988 -0.632 1.00 0.00 H new ATOM 523 N ALA A 36 42.467 -26.764 4.055 1.00 0.00 N ATOM 524 CA ALA A 36 42.873 -27.076 5.420 1.00 0.00 C ATOM 525 C ALA A 36 42.553 -28.525 5.770 1.00 0.00 C ATOM 526 O ALA A 36 43.309 -29.182 6.484 1.00 0.00 O ATOM 527 CB ALA A 36 42.194 -26.132 6.401 1.00 0.00 C ATOM 0 H ALA A 36 41.819 -25.980 3.976 1.00 0.00 H new ATOM 0 HA ALA A 36 43.952 -26.942 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.506 -26.376 7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.476 -25.104 6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.112 -26.238 6.319 1.00 0.00 H new ATOM 533 N ASN A 37 41.427 -29.017 5.263 1.00 0.00 N ATOM 534 CA ASN A 37 41.006 -30.389 5.524 1.00 0.00 C ATOM 535 C ASN A 37 41.895 -31.381 4.780 1.00 0.00 C ATOM 536 O ASN A 37 42.018 -32.541 5.177 1.00 0.00 O ATOM 537 CB ASN A 37 39.547 -30.585 5.110 1.00 0.00 C ATOM 538 CG ASN A 37 38.576 -29.989 6.112 1.00 0.00 C ATOM 539 OD1 ASN A 37 38.795 -28.729 6.470 1.00 0.00 O flip ATOM 540 ND2 ASN A 37 37.642 -30.655 6.558 1.00 0.00 N flip ATOM 0 H ASN A 37 40.790 -28.486 4.669 1.00 0.00 H new ATOM 0 HA ASN A 37 41.101 -30.574 6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.384 -30.127 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.343 -31.650 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.513 -31.620 6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 37 36.997 -30.242 7.232 1.00 0.00 H new ATOM 547 N HIS A 38 42.514 -30.918 3.699 1.00 0.00 N ATOM 548 CA HIS A 38 43.393 -31.764 2.900 1.00 0.00 C ATOM 549 C HIS A 38 42.619 -32.928 2.289 1.00 0.00 C ATOM 550 O HIS A 38 42.634 -34.040 2.816 1.00 0.00 O ATOM 551 CB HIS A 38 44.543 -32.295 3.757 1.00 0.00 C ATOM 552 CG HIS A 38 45.764 -32.651 2.967 1.00 0.00 C ATOM 553 ND1 HIS A 38 45.739 -32.891 1.609 1.00 0.00 N ATOM 554 CD2 HIS A 38 47.053 -32.805 3.351 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.959 -33.180 1.193 1.00 0.00 C ATOM 556 NE2 HIS A 38 47.775 -33.134 2.230 1.00 0.00 N ATOM 0 H HIS A 38 42.423 -29.962 3.356 1.00 0.00 H new ATOM 0 HA HIS A 38 43.802 -31.158 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.808 -31.543 4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 38 44.203 -33.176 4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 38 47.441 -32.690 4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 38 47.241 -33.414 0.177 1.00 0.00 H new ATOM 0 HE2 HIS A 38 48.779 -33.314 2.203 1.00 0.00 H new ATOM 564 N ASP A 39 41.943 -32.663 1.176 1.00 0.00 N ATOM 565 CA ASP A 39 41.163 -33.688 0.493 1.00 0.00 C ATOM 566 C ASP A 39 40.901 -33.296 -0.958 1.00 0.00 C ATOM 567 O ASP A 39 40.986 -34.126 -1.862 1.00 0.00 O ATOM 568 CB ASP A 39 39.837 -33.918 1.219 1.00 0.00 C ATOM 569 CG ASP A 39 39.954 -34.948 2.326 1.00 0.00 C ATOM 570 OD1 ASP A 39 40.588 -35.999 2.095 1.00 0.00 O ATOM 571 OD2 ASP A 39 39.412 -34.703 3.424 1.00 0.00 O ATOM 0 H ASP A 39 41.920 -31.747 0.728 1.00 0.00 H new ATOM 0 HA ASP A 39 41.739 -34.613 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.488 -32.975 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.085 -34.244 0.501 1.00 0.00 H new ATOM 576 N LYS A 40 40.582 -32.024 -1.172 1.00 0.00 N ATOM 577 CA LYS A 40 40.307 -31.520 -2.513 1.00 0.00 C ATOM 578 C LYS A 40 41.218 -30.343 -2.848 1.00 0.00 C ATOM 579 O LYS A 40 41.531 -29.524 -1.985 1.00 0.00 O ATOM 580 CB LYS A 40 38.842 -31.094 -2.629 1.00 0.00 C ATOM 581 CG LYS A 40 38.424 -30.732 -4.044 1.00 0.00 C ATOM 582 CD LYS A 40 37.094 -29.999 -4.063 1.00 0.00 C ATOM 583 CE LYS A 40 35.962 -30.886 -3.568 1.00 0.00 C ATOM 584 NZ LYS A 40 35.236 -30.272 -2.422 1.00 0.00 N ATOM 0 H LYS A 40 40.507 -31.323 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 40 40.503 -32.323 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.207 -31.903 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.669 -30.237 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 40 39.191 -30.108 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 40 38.350 -31.638 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.159 -29.108 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.877 -29.662 -5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.263 -31.071 -4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.364 -31.853 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.472 -30.907 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.897 -30.118 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.830 -29.361 -2.716 1.00 0.00 H new ATOM 598 N GLU A 41 41.637 -30.265 -4.107 1.00 0.00 N ATOM 599 CA GLU A 41 42.511 -29.187 -4.555 1.00 0.00 C ATOM 600 C GLU A 41 41.727 -28.145 -5.348 1.00 0.00 C ATOM 601 O GLU A 41 40.564 -28.357 -5.692 1.00 0.00 O ATOM 602 CB GLU A 41 43.649 -29.746 -5.412 1.00 0.00 C ATOM 603 CG GLU A 41 44.446 -30.842 -4.726 1.00 0.00 C ATOM 604 CD GLU A 41 45.943 -30.635 -4.842 1.00 0.00 C ATOM 605 OE1 GLU A 41 46.440 -29.605 -4.339 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.619 -31.501 -5.435 1.00 0.00 O ATOM 0 H GLU A 41 41.386 -30.935 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 41 42.933 -28.705 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.234 -30.137 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.323 -28.933 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.169 -30.882 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 41 44.181 -31.805 -5.162 1.00 0.00 H new ATOM 613 N ILE A 42 42.373 -27.019 -5.632 1.00 0.00 N ATOM 614 CA ILE A 42 41.737 -25.944 -6.384 1.00 0.00 C ATOM 615 C ILE A 42 42.527 -25.613 -7.646 1.00 0.00 C ATOM 616 O ILE A 42 43.751 -25.739 -7.676 1.00 0.00 O ATOM 617 CB ILE A 42 41.595 -24.668 -5.532 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.969 -25.002 -4.177 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.759 -23.631 -6.267 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.558 -25.537 -4.278 1.00 0.00 C ATOM 0 H ILE A 42 43.335 -26.827 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 42 40.744 -26.298 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 42 42.587 -24.250 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.592 -25.738 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.965 -24.106 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.668 -22.735 -5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.242 -23.376 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.767 -24.037 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.178 -25.752 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.920 -24.794 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.557 -26.452 -4.871 1.00 0.00 H new ATOM 632 N PHE A 43 41.818 -25.189 -8.687 1.00 0.00 N ATOM 633 CA PHE A 43 42.453 -24.839 -9.952 1.00 0.00 C ATOM 634 C PHE A 43 42.146 -23.394 -10.334 1.00 0.00 C ATOM 635 O PHE A 43 40.998 -23.044 -10.612 1.00 0.00 O ATOM 636 CB PHE A 43 41.982 -25.782 -11.061 1.00 0.00 C ATOM 637 CG PHE A 43 42.457 -25.383 -12.429 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.720 -24.499 -13.202 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.639 -25.891 -12.943 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.154 -24.130 -14.461 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.078 -25.525 -14.201 1.00 0.00 C ATOM 642 CZ PHE A 43 43.334 -24.644 -14.962 1.00 0.00 C ATOM 0 H PHE A 43 40.804 -25.080 -8.679 1.00 0.00 H new ATOM 0 HA PHE A 43 43.531 -24.942 -9.829 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.333 -26.791 -10.843 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.893 -25.817 -11.059 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.796 -24.094 -12.816 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.224 -26.581 -12.353 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.571 -23.440 -15.053 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.002 -25.927 -14.589 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.674 -24.358 -15.946 1.00 0.00 H new ATOM 652 N PHE A 44 43.179 -22.558 -10.344 1.00 0.00 N ATOM 653 CA PHE A 44 43.020 -21.150 -10.689 1.00 0.00 C ATOM 654 C PHE A 44 43.994 -20.748 -11.793 1.00 0.00 C ATOM 655 O PHE A 44 45.185 -21.055 -11.728 1.00 0.00 O ATOM 656 CB PHE A 44 43.239 -20.273 -9.455 1.00 0.00 C ATOM 657 CG PHE A 44 44.657 -20.278 -8.959 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.113 -21.295 -8.136 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.534 -19.267 -9.317 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.417 -21.302 -7.678 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.839 -19.269 -8.863 1.00 0.00 C ATOM 662 CZ PHE A 44 47.281 -20.289 -8.043 1.00 0.00 C ATOM 0 H PHE A 44 44.135 -22.831 -10.117 1.00 0.00 H new ATOM 0 HA PHE A 44 42.004 -21.003 -11.054 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.949 -19.249 -9.691 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.582 -20.614 -8.655 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.442 -22.091 -7.849 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.194 -18.468 -9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.760 -22.099 -7.035 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.512 -18.474 -9.149 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.301 -20.294 -7.688 1.00 0.00 H new ATOM 672 N HIS A 45 43.480 -20.059 -12.806 1.00 0.00 N ATOM 673 CA HIS A 45 44.303 -19.614 -13.925 1.00 0.00 C ATOM 674 C HIS A 45 45.051 -18.332 -13.572 1.00 0.00 C ATOM 675 O HIS A 45 44.542 -17.487 -12.835 1.00 0.00 O ATOM 676 CB HIS A 45 43.438 -19.389 -15.165 1.00 0.00 C ATOM 677 CG HIS A 45 44.169 -19.610 -16.453 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.257 -18.653 -17.442 1.00 0.00 N ATOM 679 CD2 HIS A 45 44.849 -20.687 -16.912 1.00 0.00 C ATOM 680 CE1 HIS A 45 44.959 -19.132 -18.454 1.00 0.00 C ATOM 681 NE2 HIS A 45 45.330 -20.364 -18.157 1.00 0.00 N ATOM 0 H HIS A 45 42.497 -19.796 -12.875 1.00 0.00 H new ATOM 0 HA HIS A 45 45.034 -20.394 -14.139 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.579 -20.058 -15.125 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.050 -18.371 -15.147 1.00 0.00 H new ATOM 0 HD2 HIS A 45 44.987 -21.625 -16.395 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.190 -18.605 -19.368 1.00 0.00 H new ATOM 0 HE2 HIS A 45 45.884 -20.977 -18.755 1.00 0.00 H new ATOM 689 N TYR A 46 46.261 -18.193 -14.103 1.00 0.00 N ATOM 690 CA TYR A 46 47.080 -17.015 -13.842 1.00 0.00 C ATOM 691 C TYR A 46 46.319 -15.737 -14.180 1.00 0.00 C ATOM 692 O TYR A 46 46.422 -14.734 -13.474 1.00 0.00 O ATOM 693 CB TYR A 46 48.376 -17.080 -14.652 1.00 0.00 C ATOM 694 CG TYR A 46 49.546 -17.643 -13.877 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.401 -18.778 -13.089 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.796 -17.039 -13.933 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.467 -19.296 -12.380 1.00 0.00 C ATOM 698 CE2 TYR A 46 51.868 -17.551 -13.228 1.00 0.00 C ATOM 699 CZ TYR A 46 51.699 -18.679 -12.452 1.00 0.00 C ATOM 700 OH TYR A 46 52.764 -19.190 -11.747 1.00 0.00 O ATOM 0 H TYR A 46 46.696 -18.882 -14.717 1.00 0.00 H new ATOM 0 HA TYR A 46 47.324 -17.001 -12.780 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.210 -17.692 -15.539 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.629 -16.078 -14.999 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.438 -19.264 -13.030 1.00 0.00 H new ATOM 0 HD2 TYR A 46 50.932 -16.155 -14.538 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.337 -20.179 -11.772 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.834 -17.071 -13.284 1.00 0.00 H new ATOM 0 HH TYR A 46 52.995 -20.075 -12.099 1.00 0.00 H new ATOM 710 N SER A 47 45.553 -15.781 -15.266 1.00 0.00 N ATOM 711 CA SER A 47 44.777 -14.626 -15.701 1.00 0.00 C ATOM 712 C SER A 47 43.703 -14.276 -14.675 1.00 0.00 C ATOM 713 O SER A 47 43.309 -13.117 -14.545 1.00 0.00 O ATOM 714 CB SER A 47 44.129 -14.903 -17.059 1.00 0.00 C ATOM 715 OG SER A 47 43.752 -13.697 -17.700 1.00 0.00 O ATOM 0 H SER A 47 45.454 -16.604 -15.860 1.00 0.00 H new ATOM 0 HA SER A 47 45.455 -13.778 -15.796 1.00 0.00 H new ATOM 0 HB2 SER A 47 44.825 -15.453 -17.692 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.252 -15.536 -16.925 1.00 0.00 H new ATOM 0 HG SER A 47 43.342 -13.901 -18.566 1.00 0.00 H new ATOM 721 N GLU A 48 43.235 -15.286 -13.949 1.00 0.00 N ATOM 722 CA GLU A 48 42.207 -15.085 -12.935 1.00 0.00 C ATOM 723 C GLU A 48 42.804 -14.482 -11.667 1.00 0.00 C ATOM 724 O GLU A 48 42.116 -13.800 -10.907 1.00 0.00 O ATOM 725 CB GLU A 48 41.517 -16.411 -12.607 1.00 0.00 C ATOM 726 CG GLU A 48 40.865 -17.072 -13.809 1.00 0.00 C ATOM 727 CD GLU A 48 39.368 -16.836 -13.865 1.00 0.00 C ATOM 728 OE1 GLU A 48 38.730 -16.816 -12.792 1.00 0.00 O ATOM 729 OE2 GLU A 48 38.835 -16.671 -14.982 1.00 0.00 O ATOM 0 H GLU A 48 43.551 -16.251 -14.044 1.00 0.00 H new ATOM 0 HA GLU A 48 41.469 -14.389 -13.335 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.249 -17.096 -12.179 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.759 -16.237 -11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.323 -16.691 -14.721 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.059 -18.144 -13.779 1.00 0.00 H new ATOM 736 N PHE A 49 44.088 -14.739 -11.444 1.00 0.00 N ATOM 737 CA PHE A 49 44.779 -14.223 -10.268 1.00 0.00 C ATOM 738 C PHE A 49 45.118 -12.746 -10.440 1.00 0.00 C ATOM 739 O PHE A 49 45.496 -12.307 -11.526 1.00 0.00 O ATOM 740 CB PHE A 49 46.056 -15.025 -10.008 1.00 0.00 C ATOM 741 CG PHE A 49 46.642 -14.793 -8.645 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.406 -13.666 -8.386 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.429 -15.703 -7.621 1.00 0.00 C ATOM 744 CE1 PHE A 49 47.947 -13.451 -7.133 1.00 0.00 C ATOM 745 CE2 PHE A 49 46.967 -15.493 -6.365 1.00 0.00 C ATOM 746 CZ PHE A 49 47.726 -14.365 -6.121 1.00 0.00 C ATOM 0 H PHE A 49 44.672 -15.302 -12.063 1.00 0.00 H new ATOM 0 HA PHE A 49 44.113 -14.326 -9.412 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.839 -16.087 -10.126 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.798 -14.766 -10.763 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.581 -12.947 -9.173 1.00 0.00 H new ATOM 0 HD2 PHE A 49 45.836 -16.586 -7.807 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.542 -12.569 -6.945 1.00 0.00 H new ATOM 0 HE2 PHE A 49 46.794 -16.210 -5.576 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.146 -14.198 -5.140 1.00 0.00 H new ATOM 756 N SER A 50 44.979 -11.983 -9.360 1.00 0.00 N ATOM 757 CA SER A 50 45.266 -10.554 -9.392 1.00 0.00 C ATOM 758 C SER A 50 45.974 -10.113 -8.114 1.00 0.00 C ATOM 759 O SER A 50 45.340 -9.901 -7.081 1.00 0.00 O ATOM 760 CB SER A 50 43.972 -9.756 -9.572 1.00 0.00 C ATOM 761 OG SER A 50 44.204 -8.569 -10.310 1.00 0.00 O ATOM 0 H SER A 50 44.669 -12.331 -8.452 1.00 0.00 H new ATOM 0 HA SER A 50 45.925 -10.360 -10.238 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.232 -10.369 -10.086 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.556 -9.506 -8.596 1.00 0.00 H new ATOM 0 HG SER A 50 43.362 -8.078 -10.413 1.00 0.00 H new ATOM 767 N GLY A 51 47.294 -9.978 -8.194 1.00 0.00 N ATOM 768 CA GLY A 51 48.068 -9.564 -7.038 1.00 0.00 C ATOM 769 C GLY A 51 49.431 -10.226 -6.986 1.00 0.00 C ATOM 770 O GLY A 51 49.817 -10.789 -5.961 1.00 0.00 O ATOM 0 H GLY A 51 47.841 -10.148 -9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.194 -8.481 -7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 51 47.516 -9.805 -6.130 1.00 0.00 H new ATOM 774 N ASP A 52 50.162 -10.159 -8.094 1.00 0.00 N ATOM 775 CA ASP A 52 51.490 -10.757 -8.170 1.00 0.00 C ATOM 776 C ASP A 52 51.417 -12.269 -7.981 1.00 0.00 C ATOM 777 O ASP A 52 51.488 -12.769 -6.858 1.00 0.00 O ATOM 778 CB ASP A 52 52.411 -10.142 -7.116 1.00 0.00 C ATOM 779 CG ASP A 52 52.288 -8.633 -7.049 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.519 -7.972 -8.083 1.00 0.00 O ATOM 781 OD2 ASP A 52 51.960 -8.112 -5.963 1.00 0.00 O ATOM 0 H ASP A 52 49.857 -9.697 -8.951 1.00 0.00 H new ATOM 0 HA ASP A 52 51.897 -10.552 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 52 52.176 -10.566 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 52 53.444 -10.410 -7.339 1.00 0.00 H new ATOM 786 N VAL A 53 51.274 -12.993 -9.086 1.00 0.00 N ATOM 787 CA VAL A 53 51.191 -14.448 -9.042 1.00 0.00 C ATOM 788 C VAL A 53 52.575 -15.080 -9.140 1.00 0.00 C ATOM 789 O VAL A 53 52.804 -16.179 -8.635 1.00 0.00 O ATOM 790 CB VAL A 53 50.307 -14.995 -10.179 1.00 0.00 C ATOM 791 CG1 VAL A 53 50.952 -14.732 -11.531 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.047 -16.481 -9.983 1.00 0.00 C ATOM 0 H VAL A 53 51.213 -12.596 -10.023 1.00 0.00 H new ATOM 0 HA VAL A 53 50.741 -14.711 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 53 49.349 -14.475 -10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.313 -15.125 -12.322 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.082 -13.659 -11.670 1.00 0.00 H new ATOM 0 HG13 VAL A 53 51.924 -15.223 -11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.421 -16.851 -10.795 1.00 0.00 H new ATOM 0 HG22 VAL A 53 50.995 -17.019 -9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.538 -16.639 -9.032 1.00 0.00 H new ATOM 802 N ASP A 54 53.495 -14.379 -9.794 1.00 0.00 N ATOM 803 CA ASP A 54 54.858 -14.871 -9.957 1.00 0.00 C ATOM 804 C ASP A 54 55.646 -14.731 -8.658 1.00 0.00 C ATOM 805 O ASP A 54 56.547 -15.521 -8.379 1.00 0.00 O ATOM 806 CB ASP A 54 55.565 -14.112 -11.081 1.00 0.00 C ATOM 807 CG ASP A 54 56.622 -14.952 -11.771 1.00 0.00 C ATOM 808 OD1 ASP A 54 56.988 -16.012 -11.223 1.00 0.00 O ATOM 809 OD2 ASP A 54 57.082 -14.549 -12.860 1.00 0.00 O ATOM 0 H ASP A 54 53.322 -13.468 -10.220 1.00 0.00 H new ATOM 0 HA ASP A 54 54.808 -15.928 -10.218 1.00 0.00 H new ATOM 0 HB2 ASP A 54 54.828 -13.786 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.028 -13.213 -10.673 1.00 0.00 H new ATOM 814 N SER A 55 55.300 -13.719 -7.868 1.00 0.00 N ATOM 815 CA SER A 55 55.978 -13.473 -6.601 1.00 0.00 C ATOM 816 C SER A 55 55.576 -14.512 -5.559 1.00 0.00 C ATOM 817 O SER A 55 56.340 -14.816 -4.642 1.00 0.00 O ATOM 818 CB SER A 55 55.652 -12.068 -6.089 1.00 0.00 C ATOM 819 OG SER A 55 56.226 -11.844 -4.813 1.00 0.00 O ATOM 0 H SER A 55 54.555 -13.057 -8.083 1.00 0.00 H new ATOM 0 HA SER A 55 57.052 -13.551 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 55 56.025 -11.325 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 55 54.571 -11.940 -6.032 1.00 0.00 H new ATOM 0 HG SER A 55 56.004 -10.939 -4.509 1.00 0.00 H new ATOM 825 N LEU A 56 54.372 -15.054 -5.706 1.00 0.00 N ATOM 826 CA LEU A 56 53.867 -16.060 -4.779 1.00 0.00 C ATOM 827 C LEU A 56 54.853 -17.216 -4.639 1.00 0.00 C ATOM 828 O LEU A 56 55.730 -17.401 -5.482 1.00 0.00 O ATOM 829 CB LEU A 56 52.512 -16.586 -5.254 1.00 0.00 C ATOM 830 CG LEU A 56 51.281 -15.970 -4.587 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.006 -16.543 -5.185 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.318 -16.201 -3.083 1.00 0.00 C ATOM 0 H LEU A 56 53.727 -14.813 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 56 53.745 -15.590 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.438 -16.422 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.486 -17.664 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 56 51.292 -14.896 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.141 -16.093 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 56 49.975 -16.325 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 56 49.986 -17.622 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.435 -15.756 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.332 -17.272 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.214 -15.741 -2.666 1.00 0.00 H new ATOM 844 N GLU A 57 54.701 -17.990 -3.569 1.00 0.00 N ATOM 845 CA GLU A 57 55.578 -19.129 -3.321 1.00 0.00 C ATOM 846 C GLU A 57 54.800 -20.292 -2.712 1.00 0.00 C ATOM 847 O GLU A 57 53.603 -20.180 -2.444 1.00 0.00 O ATOM 848 CB GLU A 57 56.724 -18.725 -2.391 1.00 0.00 C ATOM 849 CG GLU A 57 56.267 -18.337 -0.995 1.00 0.00 C ATOM 850 CD GLU A 57 57.405 -18.314 0.006 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.483 -17.783 -0.332 1.00 0.00 O ATOM 852 OE2 GLU A 57 57.217 -18.829 1.129 1.00 0.00 O ATOM 0 H GLU A 57 53.980 -17.850 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 57 55.991 -19.452 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.429 -19.553 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.262 -17.887 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 57 55.799 -17.353 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 57 55.505 -19.040 -0.658 1.00 0.00 H new ATOM 859 N LEU A 58 55.488 -21.408 -2.498 1.00 0.00 N ATOM 860 CA LEU A 58 54.863 -22.593 -1.921 1.00 0.00 C ATOM 861 C LEU A 58 54.615 -22.406 -0.428 1.00 0.00 C ATOM 862 O LEU A 58 55.520 -22.039 0.321 1.00 0.00 O ATOM 863 CB LEU A 58 55.743 -23.822 -2.153 1.00 0.00 C ATOM 864 CG LEU A 58 55.916 -24.259 -3.608 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.967 -25.352 -3.716 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.589 -24.734 -4.184 1.00 0.00 C ATOM 0 H LEU A 58 56.479 -21.517 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 58 53.902 -22.743 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.730 -23.622 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.322 -24.656 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 58 56.254 -23.400 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.076 -25.650 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.921 -24.978 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.659 -26.213 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.731 -25.041 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.222 -25.579 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 58 53.863 -23.922 -4.143 1.00 0.00 H new ATOM 878 N GLY A 59 53.382 -22.663 -0.001 1.00 0.00 N ATOM 879 CA GLY A 59 53.038 -22.519 1.402 1.00 0.00 C ATOM 880 C GLY A 59 52.368 -21.193 1.701 1.00 0.00 C ATOM 881 O GLY A 59 51.620 -21.072 2.672 1.00 0.00 O ATOM 0 H GLY A 59 52.616 -22.968 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.374 -23.332 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 59 53.941 -22.611 2.006 1.00 0.00 H new ATOM 885 N ASP A 60 52.637 -20.194 0.868 1.00 0.00 N ATOM 886 CA ASP A 60 52.055 -18.869 1.048 1.00 0.00 C ATOM 887 C ASP A 60 50.534 -18.950 1.124 1.00 0.00 C ATOM 888 O ASP A 60 49.917 -19.813 0.501 1.00 0.00 O ATOM 889 CB ASP A 60 52.474 -17.945 -0.096 1.00 0.00 C ATOM 890 CG ASP A 60 53.137 -16.675 0.398 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.148 -16.777 1.124 1.00 0.00 O ATOM 892 OD2 ASP A 60 52.645 -15.578 0.059 1.00 0.00 O ATOM 0 H ASP A 60 53.255 -20.277 0.061 1.00 0.00 H new ATOM 0 HA ASP A 60 52.426 -18.460 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 60 53.160 -18.476 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.597 -17.686 -0.690 1.00 0.00 H new ATOM 897 N MET A 61 49.936 -18.044 1.891 1.00 0.00 N ATOM 898 CA MET A 61 48.486 -18.013 2.048 1.00 0.00 C ATOM 899 C MET A 61 47.845 -17.112 0.997 1.00 0.00 C ATOM 900 O MET A 61 48.402 -16.077 0.630 1.00 0.00 O ATOM 901 CB MET A 61 48.114 -17.527 3.450 1.00 0.00 C ATOM 902 CG MET A 61 47.453 -18.594 4.307 1.00 0.00 C ATOM 903 SD MET A 61 47.437 -18.166 6.059 1.00 0.00 S ATOM 904 CE MET A 61 49.126 -18.549 6.516 1.00 0.00 C ATOM 0 H MET A 61 50.433 -17.322 2.413 1.00 0.00 H new ATOM 0 HA MET A 61 48.108 -19.026 1.911 1.00 0.00 H new ATOM 0 HB2 MET A 61 49.014 -17.174 3.954 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.441 -16.674 3.363 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.429 -18.747 3.965 1.00 0.00 H new ATOM 0 HG3 MET A 61 47.978 -19.540 4.173 1.00 0.00 H new ATOM 0 HE1 MET A 61 49.127 -19.274 7.330 1.00 0.00 H new ATOM 0 HE2 MET A 61 49.650 -18.967 5.656 1.00 0.00 H new ATOM 0 HE3 MET A 61 49.630 -17.639 6.841 1.00 0.00 H new ATOM 914 N VAL A 62 46.672 -17.512 0.517 1.00 0.00 N ATOM 915 CA VAL A 62 45.956 -16.740 -0.491 1.00 0.00 C ATOM 916 C VAL A 62 44.460 -16.709 -0.199 1.00 0.00 C ATOM 917 O VAL A 62 43.961 -17.483 0.618 1.00 0.00 O ATOM 918 CB VAL A 62 46.180 -17.315 -1.903 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.621 -17.105 -2.342 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.811 -18.790 -1.942 1.00 0.00 C ATOM 0 H VAL A 62 46.198 -18.366 0.810 1.00 0.00 H new ATOM 0 HA VAL A 62 46.352 -15.725 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 62 45.532 -16.784 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.761 -17.517 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.846 -16.038 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.291 -17.609 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 62 45.975 -19.180 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.431 -19.339 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.761 -18.910 -1.674 1.00 0.00 H new ATOM 930 N GLU A 63 43.749 -15.810 -0.872 1.00 0.00 N ATOM 931 CA GLU A 63 42.309 -15.679 -0.683 1.00 0.00 C ATOM 932 C GLU A 63 41.567 -15.871 -2.003 1.00 0.00 C ATOM 933 O GLU A 63 41.997 -15.378 -3.046 1.00 0.00 O ATOM 934 CB GLU A 63 41.973 -14.308 -0.092 1.00 0.00 C ATOM 935 CG GLU A 63 40.743 -14.316 0.801 1.00 0.00 C ATOM 936 CD GLU A 63 39.452 -14.191 0.017 1.00 0.00 C ATOM 937 OE1 GLU A 63 39.377 -13.309 -0.864 1.00 0.00 O ATOM 938 OE2 GLU A 63 38.517 -14.974 0.284 1.00 0.00 O ATOM 0 H GLU A 63 44.146 -15.162 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 63 41.987 -16.455 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.827 -13.950 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.817 -13.599 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.724 -15.240 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.811 -13.495 1.514 1.00 0.00 H new ATOM 945 N TYR A 64 40.452 -16.590 -1.949 1.00 0.00 N ATOM 946 CA TYR A 64 39.652 -16.851 -3.139 1.00 0.00 C ATOM 947 C TYR A 64 38.190 -17.086 -2.772 1.00 0.00 C ATOM 948 O TYR A 64 37.840 -17.173 -1.595 1.00 0.00 O ATOM 949 CB TYR A 64 40.202 -18.063 -3.894 1.00 0.00 C ATOM 950 CG TYR A 64 40.247 -19.325 -3.061 1.00 0.00 C ATOM 951 CD1 TYR A 64 39.124 -20.133 -2.927 1.00 0.00 C ATOM 952 CD2 TYR A 64 41.412 -19.709 -2.410 1.00 0.00 C ATOM 953 CE1 TYR A 64 39.161 -21.286 -2.167 1.00 0.00 C ATOM 954 CE2 TYR A 64 41.459 -20.861 -1.649 1.00 0.00 C ATOM 955 CZ TYR A 64 40.330 -21.646 -1.531 1.00 0.00 C ATOM 956 OH TYR A 64 40.371 -22.795 -0.774 1.00 0.00 O ATOM 0 H TYR A 64 40.081 -17.003 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 64 39.709 -15.974 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.587 -18.241 -4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.207 -17.835 -4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.207 -19.855 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.297 -19.096 -2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 64 38.279 -21.902 -2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 64 42.373 -21.146 -1.150 1.00 0.00 H new ATOM 0 HH TYR A 64 41.268 -22.905 -0.395 1.00 0.00 H new ATOM 966 N SER A 65 37.341 -17.190 -3.789 1.00 0.00 N ATOM 967 CA SER A 65 35.915 -17.412 -3.575 1.00 0.00 C ATOM 968 C SER A 65 35.423 -18.602 -4.393 1.00 0.00 C ATOM 969 O SER A 65 36.152 -19.144 -5.224 1.00 0.00 O ATOM 970 CB SER A 65 35.121 -16.159 -3.947 1.00 0.00 C ATOM 971 OG SER A 65 35.661 -15.536 -5.100 1.00 0.00 O ATOM 0 H SER A 65 37.615 -17.124 -4.769 1.00 0.00 H new ATOM 0 HA SER A 65 35.760 -17.630 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.080 -16.425 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 65 35.131 -15.458 -3.113 1.00 0.00 H new ATOM 0 HG SER A 65 35.052 -15.665 -5.857 1.00 0.00 H new ATOM 977 N LEU A 66 34.179 -19.003 -4.152 1.00 0.00 N ATOM 978 CA LEU A 66 33.587 -20.129 -4.866 1.00 0.00 C ATOM 979 C LEU A 66 32.221 -19.756 -5.433 1.00 0.00 C ATOM 980 O LEU A 66 31.530 -18.890 -4.896 1.00 0.00 O ATOM 981 CB LEU A 66 33.453 -21.335 -3.934 1.00 0.00 C ATOM 982 CG LEU A 66 34.761 -21.916 -3.396 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.487 -23.136 -2.530 1.00 0.00 C ATOM 984 CD2 LEU A 66 35.697 -22.273 -4.542 1.00 0.00 C ATOM 0 H LEU A 66 33.561 -18.565 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 66 34.245 -20.389 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 66 32.831 -21.047 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 66 32.921 -22.123 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 66 35.246 -21.159 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.430 -23.536 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 66 33.855 -22.851 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.980 -23.897 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.623 -22.685 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.219 -23.012 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 66 35.920 -21.378 -5.122 1.00 0.00 H new ATOM 1117 N SER A 75 36.383 -24.900 -8.566 1.00 0.00 N ATOM 1118 CA SER A 75 37.575 -24.118 -8.870 1.00 0.00 C ATOM 1119 C SER A 75 37.500 -22.739 -8.221 1.00 0.00 C ATOM 1120 O SER A 75 36.439 -22.310 -7.771 1.00 0.00 O ATOM 1121 CB SER A 75 37.744 -23.972 -10.384 1.00 0.00 C ATOM 1122 OG SER A 75 36.782 -24.745 -11.081 1.00 0.00 O ATOM 0 HA SER A 75 38.438 -24.646 -8.464 1.00 0.00 H new ATOM 0 HB2 SER A 75 37.645 -22.923 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.747 -24.286 -10.673 1.00 0.00 H new ATOM 0 HG SER A 75 36.226 -25.233 -10.438 1.00 0.00 H new ATOM 1128 N ALA A 76 38.636 -22.051 -8.176 1.00 0.00 N ATOM 1129 CA ALA A 76 38.700 -20.720 -7.584 1.00 0.00 C ATOM 1130 C ALA A 76 38.476 -19.640 -8.636 1.00 0.00 C ATOM 1131 O ALA A 76 38.499 -19.915 -9.835 1.00 0.00 O ATOM 1132 CB ALA A 76 40.039 -20.515 -6.891 1.00 0.00 C ATOM 0 H ALA A 76 39.524 -22.393 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 76 37.904 -20.640 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.073 -19.517 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.160 -21.260 -6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.845 -20.620 -7.618 1.00 0.00 H new ATOM 1138 N GLU A 77 38.259 -18.410 -8.179 1.00 0.00 N ATOM 1139 CA GLU A 77 38.029 -17.289 -9.083 1.00 0.00 C ATOM 1140 C GLU A 77 38.415 -15.969 -8.421 1.00 0.00 C ATOM 1141 O GLU A 77 38.177 -15.765 -7.231 1.00 0.00 O ATOM 1142 CB GLU A 77 36.562 -17.246 -9.514 1.00 0.00 C ATOM 1143 CG GLU A 77 35.584 -17.270 -8.351 1.00 0.00 C ATOM 1144 CD GLU A 77 34.386 -16.369 -8.578 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.915 -16.285 -9.731 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.918 -15.748 -7.600 1.00 0.00 O ATOM 0 H GLU A 77 38.238 -18.165 -7.189 1.00 0.00 H new ATOM 0 HA GLU A 77 38.655 -17.431 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.391 -16.344 -10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.359 -18.095 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.240 -18.292 -8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 77 36.099 -16.961 -7.441 1.00 0.00 H new ATOM 1153 N LYS A 78 39.014 -15.076 -9.202 1.00 0.00 N ATOM 1154 CA LYS A 78 39.434 -13.775 -8.695 1.00 0.00 C ATOM 1155 C LYS A 78 40.386 -13.933 -7.514 1.00 0.00 C ATOM 1156 O LYS A 78 40.309 -13.187 -6.538 1.00 0.00 O ATOM 1157 CB LYS A 78 38.215 -12.951 -8.274 1.00 0.00 C ATOM 1158 CG LYS A 78 37.470 -12.328 -9.442 1.00 0.00 C ATOM 1159 CD LYS A 78 36.856 -10.990 -9.062 1.00 0.00 C ATOM 1160 CE LYS A 78 35.839 -11.142 -7.941 1.00 0.00 C ATOM 1161 NZ LYS A 78 35.011 -9.916 -7.773 1.00 0.00 N ATOM 0 H LYS A 78 39.220 -15.230 -10.189 1.00 0.00 H new ATOM 0 HA LYS A 78 39.959 -13.253 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.530 -13.590 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.538 -12.161 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 78 38.154 -12.191 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.686 -13.007 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 78 37.643 -10.303 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 78 36.374 -10.549 -9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 78 35.190 -11.992 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 78 36.358 -11.361 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 34.331 -10.060 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 35.627 -9.109 -7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 34.496 -9.721 -8.655 1.00 0.00 H new ATOM 1175 N VAL A 79 41.284 -14.909 -7.609 1.00 0.00 N ATOM 1176 CA VAL A 79 42.253 -15.162 -6.550 1.00 0.00 C ATOM 1177 C VAL A 79 43.166 -13.960 -6.341 1.00 0.00 C ATOM 1178 O VAL A 79 43.569 -13.300 -7.298 1.00 0.00 O ATOM 1179 CB VAL A 79 43.115 -16.400 -6.862 1.00 0.00 C ATOM 1180 CG1 VAL A 79 43.988 -16.757 -5.669 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.234 -17.575 -7.260 1.00 0.00 C ATOM 0 H VAL A 79 41.360 -15.537 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 79 41.684 -15.345 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 79 43.769 -16.165 -7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.590 -17.634 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.645 -15.919 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.356 -16.974 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.859 -18.441 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.554 -17.814 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.657 -17.313 -8.147 1.00 0.00 H new ATOM 1191 N ASN A 80 43.490 -13.681 -5.083 1.00 0.00 N ATOM 1192 CA ASN A 80 44.357 -12.557 -4.747 1.00 0.00 C ATOM 1193 C ASN A 80 45.090 -12.808 -3.433 1.00 0.00 C ATOM 1194 O ASN A 80 44.500 -13.282 -2.461 1.00 0.00 O ATOM 1195 CB ASN A 80 43.540 -11.267 -4.650 1.00 0.00 C ATOM 1196 CG ASN A 80 42.692 -11.213 -3.394 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.817 -12.053 -3.186 1.00 0.00 O ATOM 1198 ND2 ASN A 80 42.949 -10.220 -2.550 1.00 0.00 N ATOM 0 H ASN A 80 43.165 -14.218 -4.279 1.00 0.00 H new ATOM 0 HA ASN A 80 45.097 -12.452 -5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.214 -10.411 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 80 42.895 -11.182 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.411 -10.131 -1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 80 43.684 -9.546 -2.764 1.00 0.00 H new ATOM 1205 N LYS A 81 46.379 -12.487 -3.410 1.00 0.00 N ATOM 1206 CA LYS A 81 47.193 -12.675 -2.215 1.00 0.00 C ATOM 1207 C LYS A 81 46.619 -11.896 -1.037 1.00 0.00 C ATOM 1208 O LYS A 81 45.958 -10.872 -1.218 1.00 0.00 O ATOM 1209 CB LYS A 81 48.634 -12.231 -2.480 1.00 0.00 C ATOM 1210 CG LYS A 81 49.663 -13.315 -2.213 1.00 0.00 C ATOM 1211 CD LYS A 81 50.870 -12.767 -1.469 1.00 0.00 C ATOM 1212 CE LYS A 81 51.660 -11.793 -2.329 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.778 -11.166 -1.572 1.00 0.00 N ATOM 0 H LYS A 81 46.883 -12.095 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 81 47.186 -13.736 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.721 -11.907 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 81 48.859 -11.366 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.207 -14.115 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 81 49.985 -13.753 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 81 50.541 -12.266 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.515 -13.591 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.058 -12.317 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 81 50.994 -11.016 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.292 -10.509 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 52.396 -10.645 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.428 -11.905 -1.237 1.00 0.00 H new ATOM 1227 N THR A 82 46.875 -12.386 0.172 1.00 0.00 N ATOM 1228 CA THR A 82 46.383 -11.736 1.381 1.00 0.00 C ATOM 1229 C THR A 82 47.365 -11.906 2.534 1.00 0.00 C ATOM 1230 O THR A 82 48.095 -12.895 2.601 1.00 0.00 O ATOM 1231 CB THR A 82 45.012 -12.296 1.802 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.603 -11.709 3.042 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.066 -13.810 1.945 1.00 0.00 C ATOM 0 H THR A 82 47.421 -13.231 0.340 1.00 0.00 H new ATOM 0 HA THR A 82 46.278 -10.676 1.150 1.00 0.00 H new ATOM 0 HB THR A 82 44.288 -12.046 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.729 -12.069 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.086 -14.182 2.243 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.349 -14.256 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.802 -14.078 2.703 1.00 0.00 H new