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 Set 1.1: A 45 HIS : no HD1:sc= -0.369 K(o=-0.37,f=-1) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 27 LYS NZ :NH3+ -105:sc= -0.513 (180deg=-2.3!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 38 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.025) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 68:sc= 1.3 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.264 USER MOD Single : A 61 MET CE :methyl -152:sc= -0.203 (180deg=-1.23) USER MOD Single : A 64 TYR OH : rot -149:sc= 0.0682 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0691 USER MOD Single : A 75 SER OG : rot -4:sc= 0.808 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.319 K(o=-0.32,f=-1) 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 34.232 -15.560 1.740 1.00 0.00 N ATOM 232 CA ARG A 18 35.686 -15.531 1.640 1.00 0.00 C ATOM 233 C ARG A 18 36.296 -16.811 2.203 1.00 0.00 C ATOM 234 O ARG A 18 35.766 -17.402 3.145 1.00 0.00 O ATOM 235 CB ARG A 18 36.245 -14.317 2.384 1.00 0.00 C ATOM 236 CG ARG A 18 36.152 -13.022 1.594 1.00 0.00 C ATOM 237 CD ARG A 18 36.972 -11.916 2.239 1.00 0.00 C ATOM 238 NE ARG A 18 36.487 -10.588 1.870 1.00 0.00 N ATOM 239 CZ ARG A 18 37.123 -9.463 2.174 1.00 0.00 C ATOM 240 NH1 ARG A 18 38.264 -9.503 2.848 1.00 0.00 N ATOM 241 NH2 ARG A 18 36.618 -8.293 1.803 1.00 0.00 N ATOM 0 HA ARG A 18 35.951 -15.457 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 18 35.707 -14.198 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 18 37.289 -14.505 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 18 36.503 -13.190 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.110 -12.711 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 18 36.939 -12.026 3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 18 38.015 -12.017 1.940 1.00 0.00 H new ATOM 0 HE ARG A 18 35.612 -10.522 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 18 38.656 -10.400 3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 18 38.750 -8.637 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 18 35.741 -8.258 1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 18 37.107 -7.429 2.037 1.00 0.00 H new ATOM 255 N LEU A 19 37.412 -17.235 1.620 1.00 0.00 N ATOM 256 CA LEU A 19 38.094 -18.447 2.063 1.00 0.00 C ATOM 257 C LEU A 19 39.607 -18.290 1.954 1.00 0.00 C ATOM 258 O LEU A 19 40.101 -17.363 1.310 1.00 0.00 O ATOM 259 CB LEU A 19 37.632 -19.647 1.235 1.00 0.00 C ATOM 260 CG LEU A 19 36.157 -20.027 1.368 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.711 -20.859 0.176 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.916 -20.781 2.668 1.00 0.00 C ATOM 0 H LEU A 19 37.864 -16.758 0.840 1.00 0.00 H new ATOM 0 HA LEU A 19 37.840 -18.617 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.840 -19.440 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.236 -20.510 1.515 1.00 0.00 H new ATOM 0 HG LEU A 19 35.566 -19.112 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.659 -21.120 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.847 -20.284 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.307 -21.770 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.861 -21.044 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.518 -21.690 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.196 -20.150 3.512 1.00 0.00 H new ATOM 274 N LEU A 20 40.338 -19.203 2.583 1.00 0.00 N ATOM 275 CA LEU A 20 41.796 -19.169 2.555 1.00 0.00 C ATOM 276 C LEU A 20 42.366 -20.529 2.164 1.00 0.00 C ATOM 277 O LEU A 20 41.663 -21.538 2.191 1.00 0.00 O ATOM 278 CB LEU A 20 42.343 -18.747 3.920 1.00 0.00 C ATOM 279 CG LEU A 20 42.047 -17.309 4.347 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.627 -17.031 5.725 1.00 0.00 C ATOM 281 CD2 LEU A 20 42.598 -16.326 3.325 1.00 0.00 C ATOM 0 H LEU A 20 39.945 -19.977 3.119 1.00 0.00 H new ATOM 0 HA LEU A 20 42.103 -18.439 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.937 -19.420 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.424 -18.888 3.915 1.00 0.00 H new ATOM 0 HG LEU A 20 40.966 -17.180 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.406 -16.003 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.184 -17.713 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.707 -17.177 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.378 -15.307 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 20 43.677 -16.455 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.134 -16.510 2.356 1.00 0.00 H new ATOM 293 N GLY A 21 43.645 -20.547 1.803 1.00 0.00 N ATOM 294 CA GLY A 21 44.288 -21.789 1.414 1.00 0.00 C ATOM 295 C GLY A 21 45.800 -21.688 1.428 1.00 0.00 C ATOM 296 O GLY A 21 46.358 -20.684 1.873 1.00 0.00 O ATOM 0 H GLY A 21 44.247 -19.724 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 21 43.974 -22.584 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.955 -22.070 0.415 1.00 0.00 H new ATOM 300 N TYR A 22 46.466 -22.730 0.942 1.00 0.00 N ATOM 301 CA TYR A 22 47.923 -22.756 0.904 1.00 0.00 C ATOM 302 C TYR A 22 48.424 -23.262 -0.445 1.00 0.00 C ATOM 303 O TYR A 22 48.009 -24.321 -0.917 1.00 0.00 O ATOM 304 CB TYR A 22 48.468 -23.639 2.027 1.00 0.00 C ATOM 305 CG TYR A 22 47.983 -23.238 3.402 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.444 -22.078 4.012 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.063 -24.019 4.091 1.00 0.00 C ATOM 308 CE1 TYR A 22 48.004 -21.708 5.268 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.616 -23.656 5.347 1.00 0.00 C ATOM 310 CZ TYR A 22 47.090 -22.500 5.932 1.00 0.00 C ATOM 311 OH TYR A 22 46.649 -22.134 7.183 1.00 0.00 O ATOM 0 H TYR A 22 46.020 -23.568 0.569 1.00 0.00 H new ATOM 0 HA TYR A 22 48.283 -21.737 1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.181 -24.673 1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.557 -23.603 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.159 -21.455 3.495 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.691 -24.925 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.374 -20.803 5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.900 -24.274 5.868 1.00 0.00 H new ATOM 0 HH TYR A 22 46.008 -22.798 7.511 1.00 0.00 H new ATOM 321 N VAL A 23 49.320 -22.498 -1.061 1.00 0.00 N ATOM 322 CA VAL A 23 49.881 -22.869 -2.355 1.00 0.00 C ATOM 323 C VAL A 23 50.463 -24.277 -2.319 1.00 0.00 C ATOM 324 O VAL A 23 51.509 -24.512 -1.715 1.00 0.00 O ATOM 325 CB VAL A 23 50.979 -21.883 -2.795 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.561 -22.295 -4.138 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.429 -20.466 -2.855 1.00 0.00 C ATOM 0 H VAL A 23 49.673 -21.618 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 23 49.063 -22.835 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 23 51.781 -21.906 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.335 -21.586 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.994 -23.292 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.772 -22.303 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.218 -19.782 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.608 -20.424 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.066 -20.175 -1.869 1.00 0.00 H new ATOM 337 N ALA A 24 49.778 -25.212 -2.970 1.00 0.00 N ATOM 338 CA ALA A 24 50.229 -26.598 -3.014 1.00 0.00 C ATOM 339 C ALA A 24 51.300 -26.793 -4.081 1.00 0.00 C ATOM 340 O ALA A 24 52.299 -27.476 -3.856 1.00 0.00 O ATOM 341 CB ALA A 24 49.051 -27.527 -3.269 1.00 0.00 C ATOM 0 H ALA A 24 48.909 -25.035 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 24 50.669 -26.843 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.401 -28.559 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.320 -27.416 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.587 -27.273 -4.222 1.00 0.00 H new ATOM 347 N THR A 25 51.086 -26.188 -5.246 1.00 0.00 N ATOM 348 CA THR A 25 52.032 -26.297 -6.349 1.00 0.00 C ATOM 349 C THR A 25 51.969 -25.069 -7.250 1.00 0.00 C ATOM 350 O THR A 25 50.898 -24.503 -7.471 1.00 0.00 O ATOM 351 CB THR A 25 51.766 -27.556 -7.196 1.00 0.00 C ATOM 352 OG1 THR A 25 51.739 -28.715 -6.355 1.00 0.00 O ATOM 353 CG2 THR A 25 52.833 -27.724 -8.266 1.00 0.00 C ATOM 0 H THR A 25 50.265 -25.617 -5.449 1.00 0.00 H new ATOM 0 HA THR A 25 53.026 -26.370 -5.907 1.00 0.00 H new ATOM 0 HB THR A 25 50.799 -27.440 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.568 -29.511 -6.900 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.624 -28.620 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.831 -26.853 -8.922 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.810 -27.820 -7.793 1.00 0.00 H new ATOM 361 N LEU A 26 53.122 -24.663 -7.770 1.00 0.00 N ATOM 362 CA LEU A 26 53.198 -23.502 -8.649 1.00 0.00 C ATOM 363 C LEU A 26 53.897 -23.854 -9.958 1.00 0.00 C ATOM 364 O LEU A 26 55.083 -24.184 -9.972 1.00 0.00 O ATOM 365 CB LEU A 26 53.939 -22.358 -7.954 1.00 0.00 C ATOM 366 CG LEU A 26 53.070 -21.371 -7.175 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.887 -20.675 -6.098 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.446 -20.350 -8.116 1.00 0.00 C ATOM 0 H LEU A 26 54.017 -25.121 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 26 52.181 -23.183 -8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.669 -22.788 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.498 -21.803 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 26 52.267 -21.928 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.252 -19.976 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.285 -21.418 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.711 -20.132 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.831 -19.656 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.234 -19.799 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.826 -20.864 -8.850 1.00 0.00 H new ATOM 380 N LYS A 27 53.155 -23.781 -11.058 1.00 0.00 N ATOM 381 CA LYS A 27 53.703 -24.089 -12.373 1.00 0.00 C ATOM 382 C LYS A 27 53.859 -22.822 -13.208 1.00 0.00 C ATOM 383 O LYS A 27 53.630 -21.715 -12.721 1.00 0.00 O ATOM 384 CB LYS A 27 52.800 -25.086 -13.104 1.00 0.00 C ATOM 385 CG LYS A 27 52.540 -26.360 -12.319 1.00 0.00 C ATOM 386 CD LYS A 27 53.685 -27.348 -12.463 1.00 0.00 C ATOM 387 CE LYS A 27 54.696 -27.197 -11.336 1.00 0.00 C ATOM 388 NZ LYS A 27 55.984 -26.626 -11.819 1.00 0.00 N ATOM 0 H LYS A 27 52.171 -23.511 -11.064 1.00 0.00 H new ATOM 0 HA LYS A 27 54.688 -24.535 -12.233 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.847 -24.605 -13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 27 53.257 -25.345 -14.059 1.00 0.00 H new ATOM 0 HG2 LYS A 27 52.398 -26.117 -11.266 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.615 -26.820 -12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.292 -28.365 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 27 54.181 -27.195 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 27 54.282 -26.553 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 27 54.879 -28.170 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 56.700 -27.378 -11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 55.848 -26.214 -12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 56.304 -25.886 -11.162 1.00 0.00 H new ATOM 402 N ASP A 28 54.247 -22.992 -14.467 1.00 0.00 N ATOM 403 CA ASP A 28 54.431 -21.862 -15.370 1.00 0.00 C ATOM 404 C ASP A 28 53.203 -21.668 -16.255 1.00 0.00 C ATOM 405 O ASP A 28 53.318 -21.531 -17.472 1.00 0.00 O ATOM 406 CB ASP A 28 55.672 -22.073 -16.239 1.00 0.00 C ATOM 407 CG ASP A 28 56.896 -22.435 -15.421 1.00 0.00 C ATOM 408 OD1 ASP A 28 57.249 -21.661 -14.506 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.501 -23.492 -15.696 1.00 0.00 O ATOM 0 H ASP A 28 54.440 -23.902 -14.886 1.00 0.00 H new ATOM 0 HA ASP A 28 54.568 -20.965 -14.766 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.475 -22.864 -16.963 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.873 -21.165 -16.807 1.00 0.00 H new ATOM 414 N ASN A 29 52.028 -21.659 -15.633 1.00 0.00 N ATOM 415 CA ASN A 29 50.778 -21.483 -16.364 1.00 0.00 C ATOM 416 C ASN A 29 49.587 -21.471 -15.410 1.00 0.00 C ATOM 417 O ASN A 29 48.647 -20.695 -15.585 1.00 0.00 O ATOM 418 CB ASN A 29 50.606 -22.599 -17.397 1.00 0.00 C ATOM 419 CG ASN A 29 50.087 -22.082 -18.725 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.861 -21.672 -19.590 1.00 0.00 O ATOM 421 ND2 ASN A 29 48.769 -22.100 -18.892 1.00 0.00 N ATOM 0 H ASN A 29 51.915 -21.771 -14.625 1.00 0.00 H new ATOM 0 HA ASN A 29 50.819 -20.523 -16.879 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.563 -23.097 -17.553 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.917 -23.348 -17.007 1.00 0.00 H new ATOM 0 HD21 ASN A 29 48.361 -21.765 -19.765 1.00 0.00 H new ATOM 0 HD22 ASN A 29 48.165 -22.449 -18.147 1.00 0.00 H new ATOM 428 N PHE A 30 49.635 -22.334 -14.401 1.00 0.00 N ATOM 429 CA PHE A 30 48.561 -22.422 -13.419 1.00 0.00 C ATOM 430 C PHE A 30 49.087 -22.936 -12.082 1.00 0.00 C ATOM 431 O PHE A 30 50.191 -23.473 -12.002 1.00 0.00 O ATOM 432 CB PHE A 30 47.450 -23.342 -13.930 1.00 0.00 C ATOM 433 CG PHE A 30 47.954 -24.648 -14.472 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.440 -25.626 -13.619 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.943 -24.899 -15.835 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.906 -26.829 -14.116 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.407 -26.100 -16.337 1.00 0.00 C ATOM 438 CZ PHE A 30 48.888 -27.067 -15.476 1.00 0.00 C ATOM 0 H PHE A 30 50.406 -22.982 -14.242 1.00 0.00 H new ATOM 0 HA PHE A 30 48.156 -21.421 -13.269 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.752 -23.541 -13.117 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.892 -22.825 -14.711 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.455 -25.446 -12.554 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.567 -24.147 -16.513 1.00 0.00 H new ATOM 0 HE1 PHE A 30 49.284 -27.582 -13.441 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.394 -26.282 -17.401 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.249 -28.007 -15.866 1.00 0.00 H new ATOM 448 N GLY A 31 48.288 -22.765 -11.033 1.00 0.00 N ATOM 449 CA GLY A 31 48.689 -23.215 -9.713 1.00 0.00 C ATOM 450 C GLY A 31 47.580 -23.952 -8.989 1.00 0.00 C ATOM 451 O GLY A 31 46.429 -23.939 -9.426 1.00 0.00 O ATOM 0 H GLY A 31 47.370 -22.323 -11.074 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.556 -23.869 -9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.998 -22.356 -9.118 1.00 0.00 H new ATOM 455 N PHE A 32 47.926 -24.598 -7.881 1.00 0.00 N ATOM 456 CA PHE A 32 46.951 -25.347 -7.097 1.00 0.00 C ATOM 457 C PHE A 32 46.928 -24.861 -5.651 1.00 0.00 C ATOM 458 O PHE A 32 47.912 -24.311 -5.154 1.00 0.00 O ATOM 459 CB PHE A 32 47.272 -26.843 -7.139 1.00 0.00 C ATOM 460 CG PHE A 32 46.973 -27.483 -8.464 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.665 -27.723 -8.854 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.000 -27.845 -9.321 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.387 -28.311 -10.073 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.728 -28.433 -10.542 1.00 0.00 C ATOM 465 CZ PHE A 32 46.420 -28.668 -10.918 1.00 0.00 C ATOM 0 H PHE A 32 48.874 -24.618 -7.506 1.00 0.00 H new ATOM 0 HA PHE A 32 45.966 -25.181 -7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.327 -26.987 -6.905 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.701 -27.351 -6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 32 44.853 -27.447 -8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.025 -27.666 -9.032 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.363 -28.491 -10.365 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.538 -28.708 -11.201 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.205 -29.130 -11.870 1.00 0.00 H new ATOM 475 N ILE A 33 45.799 -25.067 -4.981 1.00 0.00 N ATOM 476 CA ILE A 33 45.647 -24.651 -3.593 1.00 0.00 C ATOM 477 C ILE A 33 45.157 -25.804 -2.724 1.00 0.00 C ATOM 478 O ILE A 33 44.185 -26.479 -3.062 1.00 0.00 O ATOM 479 CB ILE A 33 44.666 -23.471 -3.463 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.147 -22.284 -4.301 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.512 -23.068 -2.004 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.154 -21.145 -4.361 1.00 0.00 C ATOM 0 H ILE A 33 44.976 -25.520 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 33 46.631 -24.333 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 33 43.692 -23.785 -3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.086 -21.915 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.357 -22.626 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.816 -22.233 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.129 -23.913 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.481 -22.769 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.561 -20.339 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.222 -21.498 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.962 -20.776 -3.353 1.00 0.00 H new ATOM 494 N GLU A 34 45.834 -26.022 -1.601 1.00 0.00 N ATOM 495 CA GLU A 34 45.466 -27.093 -0.683 1.00 0.00 C ATOM 496 C GLU A 34 44.587 -26.563 0.446 1.00 0.00 C ATOM 497 O GLU A 34 45.011 -25.720 1.237 1.00 0.00 O ATOM 498 CB GLU A 34 46.720 -27.750 -0.102 1.00 0.00 C ATOM 499 CG GLU A 34 46.885 -29.206 -0.503 1.00 0.00 C ATOM 500 CD GLU A 34 48.118 -29.843 0.107 1.00 0.00 C ATOM 501 OE1 GLU A 34 49.230 -29.318 -0.115 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.972 -30.867 0.808 1.00 0.00 O ATOM 0 H GLU A 34 46.640 -25.471 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 34 44.900 -27.838 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.597 -27.191 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.685 -27.683 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.002 -29.766 -0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.944 -29.275 -1.589 1.00 0.00 H new ATOM 509 N THR A 35 43.357 -27.064 0.515 1.00 0.00 N ATOM 510 CA THR A 35 42.416 -26.641 1.544 1.00 0.00 C ATOM 511 C THR A 35 42.926 -26.998 2.936 1.00 0.00 C ATOM 512 O THR A 35 44.039 -27.499 3.089 1.00 0.00 O ATOM 513 CB THR A 35 41.031 -27.282 1.337 1.00 0.00 C ATOM 514 OG1 THR A 35 41.106 -28.694 1.563 1.00 0.00 O ATOM 515 CG2 THR A 35 40.516 -27.014 -0.069 1.00 0.00 C ATOM 0 H THR A 35 42.990 -27.763 -0.130 1.00 0.00 H new ATOM 0 HA THR A 35 42.323 -25.558 1.461 1.00 0.00 H new ATOM 0 HB THR A 35 40.338 -26.837 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.221 -29.094 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.537 -27.476 -0.192 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.432 -25.939 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.210 -27.435 -0.797 1.00 0.00 H new ATOM 523 N ALA A 36 42.104 -26.738 3.947 1.00 0.00 N ATOM 524 CA ALA A 36 42.471 -27.036 5.326 1.00 0.00 C ATOM 525 C ALA A 36 42.378 -28.532 5.608 1.00 0.00 C ATOM 526 O ALA A 36 43.077 -29.054 6.475 1.00 0.00 O ATOM 527 CB ALA A 36 41.585 -26.259 6.288 1.00 0.00 C ATOM 0 H ALA A 36 41.179 -26.322 3.837 1.00 0.00 H new ATOM 0 HA ALA A 36 43.506 -26.729 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 36 41.870 -26.491 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 36 41.705 -25.190 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 36 40.543 -26.538 6.129 1.00 0.00 H new ATOM 533 N ASN A 37 41.509 -29.215 4.871 1.00 0.00 N ATOM 534 CA ASN A 37 41.323 -30.651 5.044 1.00 0.00 C ATOM 535 C ASN A 37 42.426 -31.431 4.335 1.00 0.00 C ATOM 536 O ASN A 37 42.726 -32.571 4.695 1.00 0.00 O ATOM 537 CB ASN A 37 39.956 -31.078 4.507 1.00 0.00 C ATOM 538 CG ASN A 37 38.852 -30.907 5.533 1.00 0.00 C ATOM 539 OD1 ASN A 37 38.900 -30.002 6.366 1.00 0.00 O ATOM 540 ND2 ASN A 37 37.851 -31.777 5.476 1.00 0.00 N ATOM 0 H ASN A 37 40.922 -28.798 4.148 1.00 0.00 H new ATOM 0 HA ASN A 37 41.372 -30.873 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.718 -30.491 3.620 1.00 0.00 H new ATOM 0 HB3 ASN A 37 40.001 -32.122 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.080 -31.711 6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 37 37.853 -32.511 4.768 1.00 0.00 H new ATOM 547 N HIS A 38 43.029 -30.810 3.326 1.00 0.00 N ATOM 548 CA HIS A 38 44.100 -31.446 2.567 1.00 0.00 C ATOM 549 C HIS A 38 43.591 -32.690 1.846 1.00 0.00 C ATOM 550 O HIS A 38 44.323 -33.665 1.678 1.00 0.00 O ATOM 551 CB HIS A 38 45.258 -31.817 3.493 1.00 0.00 C ATOM 552 CG HIS A 38 45.668 -30.709 4.414 1.00 0.00 C ATOM 553 ND1 HIS A 38 45.535 -30.782 5.785 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.212 -29.498 4.154 1.00 0.00 C ATOM 555 CE1 HIS A 38 45.977 -29.662 6.328 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.395 -28.866 5.360 1.00 0.00 N ATOM 0 H HIS A 38 42.794 -29.867 3.015 1.00 0.00 H new ATOM 0 HA HIS A 38 44.454 -30.735 1.821 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.973 -32.685 4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 38 46.116 -32.112 2.888 1.00 0.00 H new ATOM 0 HD2 HIS A 38 46.457 -29.102 3.180 1.00 0.00 H new ATOM 0 HE1 HIS A 38 45.994 -29.435 7.384 1.00 0.00 H new ATOM 0 HE2 HIS A 38 46.789 -27.934 5.487 1.00 0.00 H new ATOM 564 N ASP A 39 42.333 -32.648 1.421 1.00 0.00 N ATOM 565 CA ASP A 39 41.725 -33.772 0.718 1.00 0.00 C ATOM 566 C ASP A 39 41.401 -33.398 -0.725 1.00 0.00 C ATOM 567 O ASP A 39 41.373 -34.255 -1.609 1.00 0.00 O ATOM 568 CB ASP A 39 40.455 -34.226 1.438 1.00 0.00 C ATOM 569 CG ASP A 39 40.114 -35.675 1.152 1.00 0.00 C ATOM 570 OD1 ASP A 39 40.783 -36.566 1.717 1.00 0.00 O ATOM 571 OD2 ASP A 39 39.177 -35.919 0.362 1.00 0.00 O ATOM 0 H ASP A 39 41.714 -31.848 1.551 1.00 0.00 H new ATOM 0 HA ASP A 39 42.441 -34.594 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.582 -34.091 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.622 -33.593 1.133 1.00 0.00 H new ATOM 576 N LYS A 40 41.155 -32.113 -0.957 1.00 0.00 N ATOM 577 CA LYS A 40 40.833 -31.624 -2.292 1.00 0.00 C ATOM 578 C LYS A 40 41.796 -30.519 -2.715 1.00 0.00 C ATOM 579 O LYS A 40 42.588 -30.033 -1.909 1.00 0.00 O ATOM 580 CB LYS A 40 39.394 -31.104 -2.334 1.00 0.00 C ATOM 581 CG LYS A 40 38.614 -31.569 -3.551 1.00 0.00 C ATOM 582 CD LYS A 40 37.244 -30.914 -3.619 1.00 0.00 C ATOM 583 CE LYS A 40 36.137 -31.905 -3.293 1.00 0.00 C ATOM 584 NZ LYS A 40 35.048 -31.276 -2.494 1.00 0.00 N ATOM 0 H LYS A 40 41.173 -31.391 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 40 40.933 -32.456 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.873 -31.429 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 40 39.410 -30.014 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 40 39.176 -31.335 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 40 38.499 -32.652 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.204 -30.079 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 40 37.085 -30.503 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.724 -32.305 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.554 -32.747 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.313 -31.983 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.437 -30.916 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.633 -30.489 -3.032 1.00 0.00 H new ATOM 598 N GLU A 41 41.721 -30.127 -3.983 1.00 0.00 N ATOM 599 CA GLU A 41 42.586 -29.079 -4.511 1.00 0.00 C ATOM 600 C GLU A 41 41.799 -28.119 -5.398 1.00 0.00 C ATOM 601 O GLU A 41 40.877 -28.525 -6.105 1.00 0.00 O ATOM 602 CB GLU A 41 43.742 -29.693 -5.304 1.00 0.00 C ATOM 603 CG GLU A 41 44.816 -30.317 -4.430 1.00 0.00 C ATOM 604 CD GLU A 41 46.209 -30.145 -5.005 1.00 0.00 C ATOM 605 OE1 GLU A 41 46.593 -30.949 -5.880 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.914 -29.206 -4.579 1.00 0.00 O ATOM 0 H GLU A 41 41.070 -30.519 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 41 42.990 -28.518 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.346 -30.453 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.195 -28.921 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.778 -29.867 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 41 44.607 -31.380 -4.306 1.00 0.00 H new ATOM 613 N ILE A 42 42.170 -26.844 -5.354 1.00 0.00 N ATOM 614 CA ILE A 42 41.500 -25.826 -6.154 1.00 0.00 C ATOM 615 C ILE A 42 42.286 -25.520 -7.424 1.00 0.00 C ATOM 616 O ILE A 42 43.515 -25.591 -7.439 1.00 0.00 O ATOM 617 CB ILE A 42 41.305 -24.522 -5.357 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.693 -24.823 -3.987 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.428 -23.552 -6.134 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.306 -25.420 -4.064 1.00 0.00 C ATOM 0 H ILE A 42 42.931 -26.491 -4.773 1.00 0.00 H new ATOM 0 HA ILE A 42 40.523 -26.228 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 42 42.279 -24.057 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.346 -25.510 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.652 -23.902 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.300 -22.636 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 42 40.901 -23.318 -7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.454 -24.007 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 42 38.934 -25.608 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.639 -24.725 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.344 -26.358 -4.617 1.00 0.00 H new ATOM 632 N PHE A 43 41.568 -25.177 -8.489 1.00 0.00 N ATOM 633 CA PHE A 43 42.198 -24.858 -9.765 1.00 0.00 C ATOM 634 C PHE A 43 41.971 -23.394 -10.132 1.00 0.00 C ATOM 635 O PHE A 43 40.833 -22.945 -10.268 1.00 0.00 O ATOM 636 CB PHE A 43 41.648 -25.763 -10.869 1.00 0.00 C ATOM 637 CG PHE A 43 42.174 -25.429 -12.236 1.00 0.00 C ATOM 638 CD1 PHE A 43 43.395 -25.925 -12.663 1.00 0.00 C ATOM 639 CD2 PHE A 43 41.447 -24.619 -13.093 1.00 0.00 C ATOM 640 CE1 PHE A 43 43.881 -25.618 -13.920 1.00 0.00 C ATOM 641 CE2 PHE A 43 41.928 -24.308 -14.351 1.00 0.00 C ATOM 642 CZ PHE A 43 43.146 -24.810 -14.765 1.00 0.00 C ATOM 0 H PHE A 43 40.550 -25.113 -8.493 1.00 0.00 H new ATOM 0 HA PHE A 43 43.270 -25.028 -9.666 1.00 0.00 H new ATOM 0 HB2 PHE A 43 41.896 -26.799 -10.636 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.560 -25.690 -10.879 1.00 0.00 H new ATOM 0 HD1 PHE A 43 43.973 -26.558 -12.007 1.00 0.00 H new ATOM 0 HD2 PHE A 43 40.493 -24.226 -12.774 1.00 0.00 H new ATOM 0 HE1 PHE A 43 44.835 -26.010 -14.241 1.00 0.00 H new ATOM 0 HE2 PHE A 43 41.352 -23.674 -15.009 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.523 -24.571 -15.748 1.00 0.00 H new ATOM 652 N PHE A 44 43.064 -22.655 -10.292 1.00 0.00 N ATOM 653 CA PHE A 44 42.987 -21.241 -10.642 1.00 0.00 C ATOM 654 C PHE A 44 43.995 -20.895 -11.733 1.00 0.00 C ATOM 655 O PHE A 44 45.162 -21.282 -11.661 1.00 0.00 O ATOM 656 CB PHE A 44 43.237 -20.374 -9.407 1.00 0.00 C ATOM 657 CG PHE A 44 44.666 -20.385 -8.946 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.111 -21.341 -8.047 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.565 -19.439 -9.411 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.425 -21.353 -7.621 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.881 -19.446 -8.989 1.00 0.00 C ATOM 662 CZ PHE A 44 47.312 -20.405 -8.093 1.00 0.00 C ATOM 0 H PHE A 44 44.014 -23.012 -10.185 1.00 0.00 H new ATOM 0 HA PHE A 44 41.985 -21.040 -11.021 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.943 -19.348 -9.628 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.599 -20.721 -8.594 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.423 -22.085 -7.675 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.233 -18.687 -10.112 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.759 -22.103 -6.919 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.572 -18.703 -9.359 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.340 -20.414 -7.762 1.00 0.00 H new ATOM 672 N HIS A 45 43.537 -20.164 -12.744 1.00 0.00 N ATOM 673 CA HIS A 45 44.398 -19.765 -13.852 1.00 0.00 C ATOM 674 C HIS A 45 45.151 -18.480 -13.519 1.00 0.00 C ATOM 675 O HIS A 45 44.694 -17.674 -12.709 1.00 0.00 O ATOM 676 CB HIS A 45 43.572 -19.572 -15.124 1.00 0.00 C ATOM 677 CG HIS A 45 44.402 -19.471 -16.367 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.163 -18.542 -17.357 1.00 0.00 N ATOM 679 CD2 HIS A 45 45.474 -20.188 -16.776 1.00 0.00 C ATOM 680 CE1 HIS A 45 45.052 -18.693 -18.323 1.00 0.00 C ATOM 681 NE2 HIS A 45 45.859 -19.685 -17.995 1.00 0.00 N ATOM 0 H HIS A 45 42.574 -19.836 -12.819 1.00 0.00 H new ATOM 0 HA HIS A 45 45.126 -20.559 -14.019 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.878 -20.406 -15.227 1.00 0.00 H new ATOM 0 HB3 HIS A 45 42.971 -18.668 -15.024 1.00 0.00 H new ATOM 0 HD2 HIS A 45 45.940 -21.004 -16.243 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.109 -18.105 -19.227 1.00 0.00 H new ATOM 0 HE2 HIS A 45 46.641 -20.023 -18.556 1.00 0.00 H new ATOM 689 N TYR A 46 46.306 -18.297 -14.149 1.00 0.00 N ATOM 690 CA TYR A 46 47.123 -17.113 -13.917 1.00 0.00 C ATOM 691 C TYR A 46 46.352 -15.843 -14.264 1.00 0.00 C ATOM 692 O TYR A 46 46.598 -14.779 -13.696 1.00 0.00 O ATOM 693 CB TYR A 46 48.409 -17.184 -14.743 1.00 0.00 C ATOM 694 CG TYR A 46 49.586 -17.753 -13.983 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.456 -18.914 -13.230 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.827 -17.130 -14.018 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.528 -19.437 -12.533 1.00 0.00 C ATOM 698 CE2 TYR A 46 51.905 -17.647 -13.326 1.00 0.00 C ATOM 699 CZ TYR A 46 51.751 -18.801 -12.585 1.00 0.00 C ATOM 700 OH TYR A 46 52.822 -19.318 -11.893 1.00 0.00 O ATOM 0 H TYR A 46 46.697 -18.954 -14.824 1.00 0.00 H new ATOM 0 HA TYR A 46 47.381 -17.083 -12.858 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.229 -17.794 -15.628 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.662 -16.183 -15.092 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.501 -19.416 -13.189 1.00 0.00 H new ATOM 0 HD2 TYR A 46 50.951 -16.226 -14.596 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.409 -20.339 -11.951 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.863 -17.151 -13.365 1.00 0.00 H new ATOM 0 HH TYR A 46 53.094 -20.168 -12.299 1.00 0.00 H new ATOM 710 N SER A 47 45.418 -15.963 -15.202 1.00 0.00 N ATOM 711 CA SER A 47 44.612 -14.825 -15.629 1.00 0.00 C ATOM 712 C SER A 47 43.584 -14.457 -14.564 1.00 0.00 C ATOM 713 O SER A 47 43.183 -13.300 -14.448 1.00 0.00 O ATOM 714 CB SER A 47 43.906 -15.141 -16.949 1.00 0.00 C ATOM 715 OG SER A 47 42.537 -15.439 -16.735 1.00 0.00 O ATOM 0 H SER A 47 45.201 -16.837 -15.681 1.00 0.00 H new ATOM 0 HA SER A 47 45.277 -13.974 -15.775 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.995 -14.291 -17.626 1.00 0.00 H new ATOM 0 HB3 SER A 47 44.394 -15.987 -17.433 1.00 0.00 H new ATOM 0 HG SER A 47 42.107 -15.636 -17.593 1.00 0.00 H new ATOM 721 N GLU A 48 43.163 -15.452 -13.788 1.00 0.00 N ATOM 722 CA GLU A 48 42.181 -15.233 -12.733 1.00 0.00 C ATOM 723 C GLU A 48 42.835 -14.609 -11.503 1.00 0.00 C ATOM 724 O GLU A 48 42.181 -13.915 -10.724 1.00 0.00 O ATOM 725 CB GLU A 48 41.507 -16.552 -12.352 1.00 0.00 C ATOM 726 CG GLU A 48 40.904 -17.292 -13.534 1.00 0.00 C ATOM 727 CD GLU A 48 39.403 -17.469 -13.407 1.00 0.00 C ATOM 728 OE1 GLU A 48 38.969 -18.230 -12.517 1.00 0.00 O ATOM 729 OE2 GLU A 48 38.663 -16.847 -14.197 1.00 0.00 O ATOM 0 H GLU A 48 43.486 -16.416 -13.870 1.00 0.00 H new ATOM 0 HA GLU A 48 41.426 -14.544 -13.111 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.239 -17.197 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.723 -16.352 -11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.125 -16.746 -14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.375 -18.271 -13.624 1.00 0.00 H new ATOM 736 N PHE A 49 44.128 -14.862 -11.335 1.00 0.00 N ATOM 737 CA PHE A 49 44.871 -14.327 -10.200 1.00 0.00 C ATOM 738 C PHE A 49 45.247 -12.867 -10.435 1.00 0.00 C ATOM 739 O PHE A 49 45.854 -12.527 -11.450 1.00 0.00 O ATOM 740 CB PHE A 49 46.132 -15.157 -9.951 1.00 0.00 C ATOM 741 CG PHE A 49 46.797 -14.859 -8.637 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.652 -13.777 -8.508 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.566 -15.662 -7.532 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.265 -13.500 -7.301 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.175 -15.389 -6.322 1.00 0.00 C ATOM 746 CZ PHE A 49 48.027 -14.308 -6.207 1.00 0.00 C ATOM 0 H PHE A 49 44.684 -15.434 -11.971 1.00 0.00 H new ATOM 0 HA PHE A 49 44.230 -14.381 -9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.873 -16.215 -9.986 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.842 -14.975 -10.758 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.842 -13.142 -9.361 1.00 0.00 H new ATOM 0 HD2 PHE A 49 45.903 -16.510 -7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.929 -12.653 -7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 49 46.985 -16.021 -5.467 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.506 -14.095 -5.263 1.00 0.00 H new ATOM 756 N SER A 50 44.882 -12.008 -9.489 1.00 0.00 N ATOM 757 CA SER A 50 45.176 -10.584 -9.594 1.00 0.00 C ATOM 758 C SER A 50 46.176 -10.156 -8.524 1.00 0.00 C ATOM 759 O SER A 50 45.801 -9.858 -7.391 1.00 0.00 O ATOM 760 CB SER A 50 43.891 -9.765 -9.463 1.00 0.00 C ATOM 761 OG SER A 50 43.635 -9.025 -10.645 1.00 0.00 O ATOM 0 H SER A 50 44.382 -12.274 -8.641 1.00 0.00 H new ATOM 0 HA SER A 50 45.617 -10.401 -10.574 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.052 -10.430 -9.257 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.974 -9.085 -8.615 1.00 0.00 H new ATOM 0 HG SER A 50 42.807 -8.511 -10.537 1.00 0.00 H new ATOM 767 N GLY A 51 47.453 -10.128 -8.894 1.00 0.00 N ATOM 768 CA GLY A 51 48.489 -9.735 -7.957 1.00 0.00 C ATOM 769 C GLY A 51 49.878 -10.098 -8.442 1.00 0.00 C ATOM 770 O GLY A 51 50.290 -9.690 -9.528 1.00 0.00 O ATOM 0 H GLY A 51 47.788 -10.371 -9.826 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.435 -8.659 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.306 -10.215 -6.996 1.00 0.00 H new ATOM 774 N ASP A 52 50.604 -10.864 -7.636 1.00 0.00 N ATOM 775 CA ASP A 52 51.956 -11.281 -7.989 1.00 0.00 C ATOM 776 C ASP A 52 52.079 -12.801 -7.968 1.00 0.00 C ATOM 777 O ASP A 52 52.814 -13.364 -7.156 1.00 0.00 O ATOM 778 CB ASP A 52 52.971 -10.661 -7.027 1.00 0.00 C ATOM 779 CG ASP A 52 52.480 -10.654 -5.593 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.474 -11.733 -4.962 1.00 0.00 O ATOM 781 OD2 ASP A 52 52.104 -9.571 -5.100 1.00 0.00 O ATOM 0 H ASP A 52 50.279 -11.209 -6.733 1.00 0.00 H new ATOM 0 HA ASP A 52 52.165 -10.932 -9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.908 -11.216 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 52 53.186 -9.639 -7.339 1.00 0.00 H new ATOM 786 N VAL A 53 51.353 -13.461 -8.865 1.00 0.00 N ATOM 787 CA VAL A 53 51.381 -14.916 -8.949 1.00 0.00 C ATOM 788 C VAL A 53 52.803 -15.429 -9.148 1.00 0.00 C ATOM 789 O VAL A 53 53.128 -16.553 -8.767 1.00 0.00 O ATOM 790 CB VAL A 53 50.497 -15.429 -10.102 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.043 -14.960 -11.442 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.394 -16.946 -10.060 1.00 0.00 C ATOM 0 H VAL A 53 50.738 -13.011 -9.543 1.00 0.00 H new ATOM 0 HA VAL A 53 50.990 -15.294 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 53 49.495 -15.017 -9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.406 -15.332 -12.245 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.060 -13.870 -11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.055 -15.341 -11.576 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.766 -17.291 -10.881 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.389 -17.381 -10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.953 -17.255 -9.112 1.00 0.00 H new ATOM 802 N ASP A 54 53.648 -14.596 -9.746 1.00 0.00 N ATOM 803 CA ASP A 54 55.037 -14.963 -9.994 1.00 0.00 C ATOM 804 C ASP A 54 55.853 -14.905 -8.706 1.00 0.00 C ATOM 805 O ASP A 54 56.842 -15.622 -8.553 1.00 0.00 O ATOM 806 CB ASP A 54 55.652 -14.037 -11.044 1.00 0.00 C ATOM 807 CG ASP A 54 56.823 -14.675 -11.765 1.00 0.00 C ATOM 808 OD1 ASP A 54 57.874 -14.880 -11.123 1.00 0.00 O ATOM 809 OD2 ASP A 54 56.688 -14.970 -12.971 1.00 0.00 O ATOM 0 H ASP A 54 53.395 -13.662 -10.068 1.00 0.00 H new ATOM 0 HA ASP A 54 55.055 -15.987 -10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 54 54.889 -13.760 -11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 54 55.983 -13.117 -10.563 1.00 0.00 H new ATOM 814 N SER A 55 55.431 -14.047 -7.783 1.00 0.00 N ATOM 815 CA SER A 55 56.126 -13.891 -6.510 1.00 0.00 C ATOM 816 C SER A 55 55.672 -14.952 -5.511 1.00 0.00 C ATOM 817 O SER A 55 56.420 -15.332 -4.609 1.00 0.00 O ATOM 818 CB SER A 55 55.877 -12.495 -5.936 1.00 0.00 C ATOM 819 OG SER A 55 56.267 -11.489 -6.856 1.00 0.00 O ATOM 0 H SER A 55 54.612 -13.449 -7.892 1.00 0.00 H new ATOM 0 HA SER A 55 57.194 -14.017 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 55 54.820 -12.381 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.432 -12.376 -5.005 1.00 0.00 H new ATOM 0 HG SER A 55 56.096 -10.606 -6.467 1.00 0.00 H new ATOM 825 N LEU A 56 54.442 -15.425 -5.678 1.00 0.00 N ATOM 826 CA LEU A 56 53.886 -16.442 -4.791 1.00 0.00 C ATOM 827 C LEU A 56 54.821 -17.643 -4.688 1.00 0.00 C ATOM 828 O LEU A 56 55.587 -17.925 -5.608 1.00 0.00 O ATOM 829 CB LEU A 56 52.514 -16.890 -5.295 1.00 0.00 C ATOM 830 CG LEU A 56 51.306 -16.296 -4.570 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.012 -16.745 -5.232 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.319 -16.690 -3.100 1.00 0.00 C ATOM 0 H LEU A 56 53.810 -15.121 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 56 53.776 -16.005 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.438 -16.638 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.459 -17.976 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 56 51.366 -15.210 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.163 -16.312 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.000 -16.412 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 56 49.945 -17.832 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.452 -16.258 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.284 -17.776 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.230 -16.318 -2.632 1.00 0.00 H new ATOM 844 N GLU A 57 54.748 -18.348 -3.563 1.00 0.00 N ATOM 845 CA GLU A 57 55.587 -19.520 -3.341 1.00 0.00 C ATOM 846 C GLU A 57 54.788 -20.645 -2.691 1.00 0.00 C ATOM 847 O GLU A 57 53.573 -20.541 -2.520 1.00 0.00 O ATOM 848 CB GLU A 57 56.787 -19.157 -2.464 1.00 0.00 C ATOM 849 CG GLU A 57 57.512 -17.900 -2.913 1.00 0.00 C ATOM 850 CD GLU A 57 58.771 -17.634 -2.110 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.666 -17.489 -0.874 1.00 0.00 O ATOM 852 OE2 GLU A 57 59.860 -17.571 -2.717 1.00 0.00 O ATOM 0 H GLU A 57 54.117 -18.128 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 57 55.947 -19.867 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.448 -19.023 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.490 -19.990 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 57 57.771 -17.992 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.841 -17.046 -2.823 1.00 0.00 H new ATOM 859 N LEU A 58 55.479 -21.721 -2.330 1.00 0.00 N ATOM 860 CA LEU A 58 54.835 -22.867 -1.698 1.00 0.00 C ATOM 861 C LEU A 58 54.700 -22.655 -0.193 1.00 0.00 C ATOM 862 O LEU A 58 55.694 -22.501 0.514 1.00 0.00 O ATOM 863 CB LEU A 58 55.634 -24.142 -1.974 1.00 0.00 C ATOM 864 CG LEU A 58 55.921 -24.448 -3.444 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.934 -25.576 -3.567 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.635 -24.802 -4.177 1.00 0.00 C ATOM 0 H LEU A 58 56.485 -21.824 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 58 53.837 -22.971 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.585 -24.073 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.093 -24.986 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 58 56.344 -23.555 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.126 -25.780 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.864 -25.285 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.539 -26.473 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.859 -25.017 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.183 -25.680 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 58 53.941 -23.964 -4.120 1.00 0.00 H new ATOM 878 N GLY A 59 53.461 -22.649 0.290 1.00 0.00 N ATOM 879 CA GLY A 59 53.218 -22.457 1.707 1.00 0.00 C ATOM 880 C GLY A 59 52.542 -21.134 2.006 1.00 0.00 C ATOM 881 O GLY A 59 51.886 -20.982 3.037 1.00 0.00 O ATOM 0 H GLY A 59 52.621 -22.774 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.596 -23.271 2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.165 -22.507 2.245 1.00 0.00 H new ATOM 885 N ASP A 60 52.704 -20.172 1.103 1.00 0.00 N ATOM 886 CA ASP A 60 52.105 -18.854 1.275 1.00 0.00 C ATOM 887 C ASP A 60 50.583 -18.950 1.319 1.00 0.00 C ATOM 888 O ASP A 60 49.998 -19.911 0.822 1.00 0.00 O ATOM 889 CB ASP A 60 52.537 -17.922 0.141 1.00 0.00 C ATOM 890 CG ASP A 60 53.843 -17.213 0.441 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.576 -17.674 1.341 1.00 0.00 O ATOM 892 OD2 ASP A 60 54.133 -16.199 -0.227 1.00 0.00 O ATOM 0 H ASP A 60 53.245 -20.281 0.245 1.00 0.00 H new ATOM 0 HA ASP A 60 52.453 -18.445 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.642 -18.498 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.757 -17.181 -0.034 1.00 0.00 H new ATOM 897 N MET A 61 49.949 -17.948 1.919 1.00 0.00 N ATOM 898 CA MET A 61 48.495 -17.919 2.028 1.00 0.00 C ATOM 899 C MET A 61 47.883 -17.076 0.914 1.00 0.00 C ATOM 900 O MET A 61 48.505 -16.136 0.419 1.00 0.00 O ATOM 901 CB MET A 61 48.075 -17.367 3.391 1.00 0.00 C ATOM 902 CG MET A 61 47.373 -18.389 4.271 1.00 0.00 C ATOM 903 SD MET A 61 47.541 -18.024 6.029 1.00 0.00 S ATOM 904 CE MET A 61 49.301 -18.266 6.258 1.00 0.00 C ATOM 0 H MET A 61 50.419 -17.145 2.337 1.00 0.00 H new ATOM 0 HA MET A 61 48.128 -18.941 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.958 -16.997 3.912 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.413 -16.514 3.240 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.315 -18.422 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 61 47.782 -19.379 4.069 1.00 0.00 H new ATOM 0 HE1 MET A 61 49.496 -18.569 7.287 1.00 0.00 H new ATOM 0 HE2 MET A 61 49.653 -19.042 5.578 1.00 0.00 H new ATOM 0 HE3 MET A 61 49.827 -17.334 6.049 1.00 0.00 H new ATOM 914 N VAL A 62 46.659 -17.419 0.523 1.00 0.00 N ATOM 915 CA VAL A 62 45.962 -16.694 -0.532 1.00 0.00 C ATOM 916 C VAL A 62 44.465 -16.623 -0.255 1.00 0.00 C ATOM 917 O VAL A 62 43.946 -17.355 0.587 1.00 0.00 O ATOM 918 CB VAL A 62 46.188 -17.349 -1.908 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.658 -17.287 -2.294 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.691 -18.786 -1.901 1.00 0.00 C ATOM 0 H VAL A 62 46.130 -18.195 0.922 1.00 0.00 H new ATOM 0 HA VAL A 62 46.374 -15.685 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 62 45.618 -16.795 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.798 -17.754 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.978 -16.246 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.252 -17.816 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 62 45.858 -19.234 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.232 -19.355 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.625 -18.801 -1.672 1.00 0.00 H new ATOM 930 N GLU A 63 43.777 -15.738 -0.969 1.00 0.00 N ATOM 931 CA GLU A 63 42.338 -15.573 -0.799 1.00 0.00 C ATOM 932 C GLU A 63 41.591 -15.973 -2.067 1.00 0.00 C ATOM 933 O GLU A 63 41.969 -15.585 -3.172 1.00 0.00 O ATOM 934 CB GLU A 63 42.009 -14.123 -0.435 1.00 0.00 C ATOM 935 CG GLU A 63 40.668 -13.960 0.262 1.00 0.00 C ATOM 936 CD GLU A 63 39.931 -12.709 -0.176 1.00 0.00 C ATOM 937 OE1 GLU A 63 39.343 -12.723 -1.278 1.00 0.00 O ATOM 938 OE2 GLU A 63 39.943 -11.717 0.582 1.00 0.00 O ATOM 0 H GLU A 63 44.192 -15.125 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 63 42.016 -16.226 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.795 -13.732 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 63 42.013 -13.519 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.048 -14.833 0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.825 -13.926 1.340 1.00 0.00 H new ATOM 945 N TYR A 64 40.529 -16.753 -1.899 1.00 0.00 N ATOM 946 CA TYR A 64 39.729 -17.210 -3.030 1.00 0.00 C ATOM 947 C TYR A 64 38.274 -17.419 -2.619 1.00 0.00 C ATOM 948 O TYR A 64 37.907 -17.208 -1.463 1.00 0.00 O ATOM 949 CB TYR A 64 40.303 -18.510 -3.595 1.00 0.00 C ATOM 950 CG TYR A 64 40.188 -19.684 -2.649 1.00 0.00 C ATOM 951 CD1 TYR A 64 39.059 -20.495 -2.651 1.00 0.00 C ATOM 952 CD2 TYR A 64 41.207 -19.983 -1.753 1.00 0.00 C ATOM 953 CE1 TYR A 64 38.949 -21.568 -1.788 1.00 0.00 C ATOM 954 CE2 TYR A 64 41.106 -21.055 -0.888 1.00 0.00 C ATOM 955 CZ TYR A 64 39.975 -21.844 -0.909 1.00 0.00 C ATOM 956 OH TYR A 64 39.871 -22.912 -0.048 1.00 0.00 O ATOM 0 H TYR A 64 40.202 -17.082 -0.991 1.00 0.00 H new ATOM 0 HA TYR A 64 39.763 -16.440 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.787 -18.751 -4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.353 -18.356 -3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.254 -20.283 -3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.093 -19.366 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 64 38.064 -22.187 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 64 41.908 -21.274 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 64 40.358 -22.714 0.779 1.00 0.00 H new ATOM 966 N SER A 65 37.450 -17.834 -3.576 1.00 0.00 N ATOM 967 CA SER A 65 36.035 -18.069 -3.316 1.00 0.00 C ATOM 968 C SER A 65 35.494 -19.175 -4.217 1.00 0.00 C ATOM 969 O SER A 65 36.137 -19.570 -5.190 1.00 0.00 O ATOM 970 CB SER A 65 35.235 -16.783 -3.532 1.00 0.00 C ATOM 971 OG SER A 65 35.796 -15.705 -2.803 1.00 0.00 O ATOM 0 H SER A 65 37.738 -18.014 -4.538 1.00 0.00 H new ATOM 0 HA SER A 65 35.929 -18.385 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 65 35.216 -16.537 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.202 -16.937 -3.222 1.00 0.00 H new ATOM 0 HG SER A 65 35.268 -14.895 -2.959 1.00 0.00 H new ATOM 977 N LEU A 66 34.307 -19.672 -3.885 1.00 0.00 N ATOM 978 CA LEU A 66 33.677 -20.733 -4.663 1.00 0.00 C ATOM 979 C LEU A 66 32.272 -20.330 -5.097 1.00 0.00 C ATOM 980 O LEU A 66 31.616 -19.522 -4.438 1.00 0.00 O ATOM 981 CB LEU A 66 33.620 -22.026 -3.847 1.00 0.00 C ATOM 982 CG LEU A 66 34.960 -22.555 -3.334 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.744 -23.724 -2.386 1.00 0.00 C ATOM 984 CD2 LEU A 66 35.851 -22.966 -4.497 1.00 0.00 C ATOM 0 H LEU A 66 33.762 -19.357 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 66 34.279 -20.900 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 66 32.965 -21.864 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.158 -22.799 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 66 35.459 -21.756 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.708 -24.088 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.144 -23.397 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.224 -24.526 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.800 -23.340 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.359 -23.749 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.033 -22.104 -5.138 1.00 0.00 H new ATOM 1117 N SER A 75 36.834 -24.924 -8.861 1.00 0.00 N ATOM 1118 CA SER A 75 37.832 -23.953 -9.295 1.00 0.00 C ATOM 1119 C SER A 75 37.627 -22.613 -8.595 1.00 0.00 C ATOM 1120 O SER A 75 36.506 -22.249 -8.244 1.00 0.00 O ATOM 1121 CB SER A 75 37.765 -23.765 -10.812 1.00 0.00 C ATOM 1122 OG SER A 75 36.630 -24.416 -11.357 1.00 0.00 O ATOM 0 HA SER A 75 38.817 -24.336 -9.027 1.00 0.00 H new ATOM 0 HB2 SER A 75 37.727 -22.702 -11.048 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.671 -24.161 -11.271 1.00 0.00 H new ATOM 0 HG SER A 75 36.164 -24.908 -10.649 1.00 0.00 H new ATOM 1128 N ALA A 76 38.721 -21.884 -8.395 1.00 0.00 N ATOM 1129 CA ALA A 76 38.662 -20.584 -7.739 1.00 0.00 C ATOM 1130 C ALA A 76 38.459 -19.465 -8.755 1.00 0.00 C ATOM 1131 O ALA A 76 38.529 -19.691 -9.962 1.00 0.00 O ATOM 1132 CB ALA A 76 39.929 -20.343 -6.931 1.00 0.00 C ATOM 0 H ALA A 76 39.658 -22.172 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 76 37.807 -20.584 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 76 39.872 -19.368 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.030 -21.120 -6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.794 -20.368 -7.594 1.00 0.00 H new ATOM 1138 N GLU A 77 38.206 -18.259 -8.257 1.00 0.00 N ATOM 1139 CA GLU A 77 37.992 -17.105 -9.123 1.00 0.00 C ATOM 1140 C GLU A 77 38.420 -15.816 -8.428 1.00 0.00 C ATOM 1141 O GLU A 77 38.207 -15.643 -7.228 1.00 0.00 O ATOM 1142 CB GLU A 77 36.520 -17.013 -9.530 1.00 0.00 C ATOM 1143 CG GLU A 77 35.589 -16.679 -8.376 1.00 0.00 C ATOM 1144 CD GLU A 77 34.159 -16.453 -8.827 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.687 -17.204 -9.707 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.511 -15.524 -8.300 1.00 0.00 O ATOM 0 H GLU A 77 38.144 -18.055 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 77 38.602 -17.235 -10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.413 -16.253 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.213 -17.962 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.613 -17.490 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.952 -15.785 -7.869 1.00 0.00 H new ATOM 1153 N LYS A 78 39.028 -14.914 -9.191 1.00 0.00 N ATOM 1154 CA LYS A 78 39.487 -13.639 -8.652 1.00 0.00 C ATOM 1155 C LYS A 78 40.380 -13.854 -7.434 1.00 0.00 C ATOM 1156 O LYS A 78 40.171 -13.246 -6.384 1.00 0.00 O ATOM 1157 CB LYS A 78 38.292 -12.762 -8.274 1.00 0.00 C ATOM 1158 CG LYS A 78 37.484 -12.286 -9.469 1.00 0.00 C ATOM 1159 CD LYS A 78 36.625 -11.083 -9.119 1.00 0.00 C ATOM 1160 CE LYS A 78 35.332 -11.070 -9.919 1.00 0.00 C ATOM 1161 NZ LYS A 78 34.199 -10.506 -9.134 1.00 0.00 N ATOM 0 H LYS A 78 39.215 -15.042 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 78 40.069 -13.135 -9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.639 -13.322 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.650 -11.895 -7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 78 38.158 -12.027 -10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.848 -13.097 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 78 36.395 -11.097 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 78 37.183 -10.167 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 78 35.473 -10.483 -10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 78 35.088 -12.085 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 33.336 -10.515 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 34.048 -11.081 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 34.421 -9.528 -8.858 1.00 0.00 H new ATOM 1175 N VAL A 79 41.375 -14.723 -7.581 1.00 0.00 N ATOM 1176 CA VAL A 79 42.301 -15.015 -6.493 1.00 0.00 C ATOM 1177 C VAL A 79 43.265 -13.856 -6.264 1.00 0.00 C ATOM 1178 O VAL A 79 43.672 -13.180 -7.208 1.00 0.00 O ATOM 1179 CB VAL A 79 43.111 -16.295 -6.774 1.00 0.00 C ATOM 1180 CG1 VAL A 79 43.968 -16.660 -5.572 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.184 -17.441 -7.146 1.00 0.00 C ATOM 0 H VAL A 79 41.560 -15.237 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 79 41.699 -15.164 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 79 43.774 -16.106 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.533 -17.567 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.659 -15.845 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.327 -16.830 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.773 -18.337 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.494 -17.632 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.619 -17.177 -8.040 1.00 0.00 H new ATOM 1191 N ASN A 80 43.626 -13.634 -5.005 1.00 0.00 N ATOM 1192 CA ASN A 80 44.543 -12.556 -4.652 1.00 0.00 C ATOM 1193 C ASN A 80 45.245 -12.850 -3.330 1.00 0.00 C ATOM 1194 O ASN A 80 44.659 -13.438 -2.420 1.00 0.00 O ATOM 1195 CB ASN A 80 43.789 -11.228 -4.558 1.00 0.00 C ATOM 1196 CG ASN A 80 43.104 -11.046 -3.217 1.00 0.00 C ATOM 1197 OD1 ASN A 80 42.123 -11.724 -2.912 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.619 -10.127 -2.409 1.00 0.00 N ATOM 0 H ASN A 80 43.298 -14.186 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 80 45.298 -12.483 -5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.485 -10.406 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.045 -11.179 -5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 80 43.200 -9.960 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.433 -9.588 -2.703 1.00 0.00 H new ATOM 1205 N LYS A 81 46.504 -12.437 -3.230 1.00 0.00 N ATOM 1206 CA LYS A 81 47.287 -12.653 -2.019 1.00 0.00 C ATOM 1207 C LYS A 81 46.690 -11.889 -0.841 1.00 0.00 C ATOM 1208 O LYS A 81 46.093 -10.827 -1.015 1.00 0.00 O ATOM 1209 CB LYS A 81 48.737 -12.219 -2.240 1.00 0.00 C ATOM 1210 CG LYS A 81 49.718 -13.378 -2.299 1.00 0.00 C ATOM 1211 CD LYS A 81 51.155 -12.890 -2.366 1.00 0.00 C ATOM 1212 CE LYS A 81 51.674 -12.495 -0.992 1.00 0.00 C ATOM 1213 NZ LYS A 81 53.121 -12.142 -1.026 1.00 0.00 N ATOM 0 H LYS A 81 47.004 -11.950 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 81 47.265 -13.718 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.800 -11.653 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.032 -11.545 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.588 -14.011 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 81 49.501 -13.995 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 81 51.787 -13.674 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.219 -12.036 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 81 51.102 -11.646 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.517 -13.318 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.437 -11.879 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 53.670 -12.960 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.268 -11.341 -1.672 1.00 0.00 H new ATOM 1227 N THR A 82 46.857 -12.436 0.359 1.00 0.00 N ATOM 1228 CA THR A 82 46.336 -11.806 1.565 1.00 0.00 C ATOM 1229 C THR A 82 47.201 -12.137 2.776 1.00 0.00 C ATOM 1230 O THR A 82 47.734 -13.240 2.887 1.00 0.00 O ATOM 1231 CB THR A 82 44.887 -12.246 1.848 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.383 -11.563 3.001 1.00 0.00 O ATOM 1233 CG2 THR A 82 44.812 -13.749 2.070 1.00 0.00 C ATOM 0 H THR A 82 47.349 -13.314 0.521 1.00 0.00 H new ATOM 0 HA THR A 82 46.354 -10.730 1.392 1.00 0.00 H new ATOM 0 HB THR A 82 44.278 -11.991 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.461 -11.847 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 82 43.779 -14.036 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.168 -14.267 1.179 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.434 -14.022 2.922 1.00 0.00 H new