USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.00676 X(o=-0.0068,f=0) USER MOD Single : A 35 THR OG1 : rot -95:sc= 0.0341 USER MOD Single : A 37 ASN : amide:sc=-0.00471 K(o=-0.0047,f=-2.1!) USER MOD Single : A 38 HIS : no HE2:sc= -0.139 K(o=-0.14,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0715 X(o=-0.071,f=-0.0011) USER MOD Single : A 46 TYR OH : rot 86:sc= 1.23 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 41:sc= 0.21 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -28:sc= 0.395 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.473 K(o=-0.47,f=-1.6) 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 34.675 -15.726 1.916 1.00 0.00 N ATOM 232 CA ARG A 18 35.990 -15.937 1.322 1.00 0.00 C ATOM 233 C ARG A 18 36.709 -17.104 1.992 1.00 0.00 C ATOM 234 O ARG A 18 36.751 -17.198 3.220 1.00 0.00 O ATOM 235 CB ARG A 18 36.835 -14.667 1.439 1.00 0.00 C ATOM 236 CG ARG A 18 36.330 -13.518 0.582 1.00 0.00 C ATOM 237 CD ARG A 18 36.920 -13.566 -0.819 1.00 0.00 C ATOM 238 NE ARG A 18 36.552 -12.394 -1.608 1.00 0.00 N ATOM 239 CZ ARG A 18 37.199 -12.014 -2.704 1.00 0.00 C ATOM 240 NH1 ARG A 18 38.240 -12.710 -3.139 1.00 0.00 N ATOM 241 NH2 ARG A 18 36.804 -10.935 -3.369 1.00 0.00 N ATOM 0 HA ARG A 18 35.851 -16.177 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 18 36.856 -14.350 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 18 37.862 -14.897 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 18 35.242 -13.559 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 18 36.588 -12.570 1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 18 38.006 -13.632 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 18 36.576 -14.467 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 18 35.755 -11.837 -1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 18 38.546 -13.540 -2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 18 38.735 -12.415 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 18 36.003 -10.397 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 18 37.302 -10.644 -4.211 1.00 0.00 H new ATOM 255 N LEU A 19 37.273 -17.990 1.180 1.00 0.00 N ATOM 256 CA LEU A 19 37.990 -19.152 1.694 1.00 0.00 C ATOM 257 C LEU A 19 39.499 -18.943 1.606 1.00 0.00 C ATOM 258 O LEU A 19 39.993 -18.285 0.690 1.00 0.00 O ATOM 259 CB LEU A 19 37.592 -20.407 0.916 1.00 0.00 C ATOM 260 CG LEU A 19 36.358 -21.152 1.430 1.00 0.00 C ATOM 261 CD1 LEU A 19 36.659 -21.831 2.757 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.181 -20.198 1.571 1.00 0.00 C ATOM 0 H LEU A 19 37.248 -17.926 0.162 1.00 0.00 H new ATOM 0 HA LEU A 19 37.719 -19.281 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.416 -20.126 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.436 -21.096 0.921 1.00 0.00 H new ATOM 0 HG LEU A 19 36.092 -21.921 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.770 -22.356 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 19 37.473 -22.544 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.950 -21.081 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.312 -20.744 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.436 -19.407 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.951 -19.759 0.601 1.00 0.00 H new ATOM 274 N LEU A 20 40.225 -19.509 2.563 1.00 0.00 N ATOM 275 CA LEU A 20 41.679 -19.387 2.594 1.00 0.00 C ATOM 276 C LEU A 20 42.344 -20.724 2.283 1.00 0.00 C ATOM 277 O LEU A 20 41.744 -21.783 2.459 1.00 0.00 O ATOM 278 CB LEU A 20 42.139 -18.881 3.962 1.00 0.00 C ATOM 279 CG LEU A 20 42.319 -17.368 4.093 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.591 -16.986 5.539 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.445 -16.885 3.190 1.00 0.00 C ATOM 0 H LEU A 20 39.831 -20.057 3.328 1.00 0.00 H new ATOM 0 HA LEU A 20 41.975 -18.668 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.416 -19.207 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.087 -19.362 4.205 1.00 0.00 H new ATOM 0 HG LEU A 20 41.395 -16.883 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.716 -15.906 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 20 41.752 -17.297 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.500 -17.481 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 20 43.559 -15.806 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.375 -17.378 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.208 -17.125 2.153 1.00 0.00 H new ATOM 293 N GLY A 21 43.590 -20.666 1.821 1.00 0.00 N ATOM 294 CA GLY A 21 44.317 -21.879 1.496 1.00 0.00 C ATOM 295 C GLY A 21 45.815 -21.658 1.433 1.00 0.00 C ATOM 296 O GLY A 21 46.318 -20.631 1.889 1.00 0.00 O ATOM 0 H GLY A 21 44.108 -19.801 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.097 -22.642 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.969 -22.262 0.537 1.00 0.00 H new ATOM 300 N TYR A 22 46.531 -22.624 0.867 1.00 0.00 N ATOM 301 CA TYR A 22 47.981 -22.531 0.750 1.00 0.00 C ATOM 302 C TYR A 22 48.456 -23.090 -0.588 1.00 0.00 C ATOM 303 O TYR A 22 47.925 -24.085 -1.083 1.00 0.00 O ATOM 304 CB TYR A 22 48.655 -23.284 1.898 1.00 0.00 C ATOM 305 CG TYR A 22 48.102 -22.932 3.260 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.425 -21.727 3.873 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.256 -23.803 3.934 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.923 -21.402 5.118 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.747 -23.486 5.179 1.00 0.00 C ATOM 310 CZ TYR A 22 47.084 -22.284 5.767 1.00 0.00 C ATOM 311 OH TYR A 22 46.580 -21.963 7.006 1.00 0.00 O ATOM 0 H TYR A 22 46.131 -23.480 0.482 1.00 0.00 H new ATOM 0 HA TYR A 22 48.258 -21.478 0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.541 -24.356 1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.724 -23.071 1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.080 -21.033 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.991 -24.745 3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.186 -20.462 5.581 1.00 0.00 H new ATOM 0 HE2 TYR A 22 46.090 -24.175 5.689 1.00 0.00 H new ATOM 0 HH TYR A 22 46.006 -22.691 7.324 1.00 0.00 H new ATOM 321 N VAL A 23 49.461 -22.443 -1.169 1.00 0.00 N ATOM 322 CA VAL A 23 50.011 -22.875 -2.449 1.00 0.00 C ATOM 323 C VAL A 23 50.648 -24.255 -2.336 1.00 0.00 C ATOM 324 O VAL A 23 51.699 -24.416 -1.716 1.00 0.00 O ATOM 325 CB VAL A 23 51.061 -21.878 -2.973 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.611 -22.338 -4.315 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.465 -20.483 -3.082 1.00 0.00 C ATOM 0 H VAL A 23 49.911 -21.617 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 23 49.179 -22.919 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 23 51.886 -21.840 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.352 -21.621 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 23 52.078 -23.316 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.798 -22.407 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.222 -19.792 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.620 -20.501 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.125 -20.155 -2.100 1.00 0.00 H new ATOM 337 N ALA A 24 50.004 -25.249 -2.939 1.00 0.00 N ATOM 338 CA ALA A 24 50.509 -26.616 -2.908 1.00 0.00 C ATOM 339 C ALA A 24 51.460 -26.876 -4.071 1.00 0.00 C ATOM 340 O ALA A 24 52.458 -27.584 -3.925 1.00 0.00 O ATOM 341 CB ALA A 24 49.354 -27.606 -2.937 1.00 0.00 C ATOM 0 H ALA A 24 49.132 -25.133 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 24 51.065 -26.751 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.746 -28.623 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.714 -27.444 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.774 -27.462 -3.848 1.00 0.00 H new ATOM 347 N THR A 25 51.146 -26.300 -5.227 1.00 0.00 N ATOM 348 CA THR A 25 51.972 -26.471 -6.416 1.00 0.00 C ATOM 349 C THR A 25 51.891 -25.248 -7.322 1.00 0.00 C ATOM 350 O THR A 25 50.805 -24.733 -7.591 1.00 0.00 O ATOM 351 CB THR A 25 51.552 -27.718 -7.217 1.00 0.00 C ATOM 352 OG1 THR A 25 51.537 -28.867 -6.362 1.00 0.00 O ATOM 353 CG2 THR A 25 52.501 -27.959 -8.381 1.00 0.00 C ATOM 0 H THR A 25 50.325 -25.711 -5.365 1.00 0.00 H new ATOM 0 HA THR A 25 52.999 -26.598 -6.072 1.00 0.00 H new ATOM 0 HB THR A 25 50.551 -27.547 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.268 -29.655 -6.878 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.184 -28.845 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.489 -27.095 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.511 -28.110 -8.001 1.00 0.00 H new ATOM 361 N LEU A 26 53.046 -24.788 -7.791 1.00 0.00 N ATOM 362 CA LEU A 26 53.106 -23.625 -8.669 1.00 0.00 C ATOM 363 C LEU A 26 53.716 -23.992 -10.018 1.00 0.00 C ATOM 364 O LEU A 26 54.849 -24.468 -10.091 1.00 0.00 O ATOM 365 CB LEU A 26 53.921 -22.509 -8.014 1.00 0.00 C ATOM 366 CG LEU A 26 53.128 -21.294 -7.529 1.00 0.00 C ATOM 367 CD1 LEU A 26 54.028 -20.345 -6.753 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.480 -20.577 -8.704 1.00 0.00 C ATOM 0 H LEU A 26 53.953 -25.203 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 26 52.088 -23.273 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.458 -22.930 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.671 -22.167 -8.728 1.00 0.00 H new ATOM 0 HG LEU A 26 52.339 -21.641 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.447 -19.487 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.444 -20.863 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.839 -20.004 -7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.920 -19.715 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.252 -20.242 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.803 -21.259 -9.218 1.00 0.00 H new ATOM 380 N LYS A 27 52.958 -23.765 -11.086 1.00 0.00 N ATOM 381 CA LYS A 27 53.424 -24.067 -12.434 1.00 0.00 C ATOM 382 C LYS A 27 53.654 -22.787 -13.230 1.00 0.00 C ATOM 383 O LYS A 27 53.586 -21.685 -12.685 1.00 0.00 O ATOM 384 CB LYS A 27 52.411 -24.956 -13.158 1.00 0.00 C ATOM 385 CG LYS A 27 51.909 -26.117 -12.317 1.00 0.00 C ATOM 386 CD LYS A 27 53.045 -27.038 -11.904 1.00 0.00 C ATOM 387 CE LYS A 27 52.801 -28.466 -12.368 1.00 0.00 C ATOM 388 NZ LYS A 27 53.139 -28.648 -13.807 1.00 0.00 N ATOM 0 H LYS A 27 52.017 -23.373 -11.044 1.00 0.00 H new ATOM 0 HA LYS A 27 54.372 -24.598 -12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.561 -24.347 -13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.868 -25.348 -14.067 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.408 -25.734 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.168 -26.683 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.982 -26.673 -12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.154 -27.020 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 53.398 -29.150 -11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 27 51.755 -28.727 -12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 52.959 -29.634 -14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 52.551 -28.013 -14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 54.143 -28.424 -13.959 1.00 0.00 H new ATOM 402 N ASP A 28 53.926 -22.940 -14.521 1.00 0.00 N ATOM 403 CA ASP A 28 54.164 -21.795 -15.393 1.00 0.00 C ATOM 404 C ASP A 28 52.918 -21.466 -16.210 1.00 0.00 C ATOM 405 O ASP A 28 53.004 -21.175 -17.402 1.00 0.00 O ATOM 406 CB ASP A 28 55.342 -22.075 -16.328 1.00 0.00 C ATOM 407 CG ASP A 28 56.670 -22.092 -15.596 1.00 0.00 C ATOM 408 OD1 ASP A 28 56.810 -22.885 -14.640 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.568 -21.314 -15.979 1.00 0.00 O ATOM 0 H ASP A 28 53.987 -23.845 -14.987 1.00 0.00 H new ATOM 0 HA ASP A 28 54.403 -20.936 -14.766 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.190 -23.035 -16.822 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.371 -21.316 -17.109 1.00 0.00 H new ATOM 414 N ASN A 29 51.760 -21.516 -15.560 1.00 0.00 N ATOM 415 CA ASN A 29 50.496 -21.225 -16.226 1.00 0.00 C ATOM 416 C ASN A 29 49.335 -21.280 -15.238 1.00 0.00 C ATOM 417 O ASN A 29 48.418 -20.460 -15.295 1.00 0.00 O ATOM 418 CB ASN A 29 50.257 -22.217 -17.367 1.00 0.00 C ATOM 419 CG ASN A 29 49.605 -21.566 -18.572 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.202 -21.484 -19.645 1.00 0.00 O ATOM 421 ND2 ASN A 29 48.374 -21.098 -18.398 1.00 0.00 N ATOM 0 H ASN A 29 51.671 -21.755 -14.572 1.00 0.00 H new ATOM 0 HA ASN A 29 50.553 -20.217 -16.636 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.208 -22.659 -17.666 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.625 -23.031 -17.011 1.00 0.00 H new ATOM 0 HD21 ASN A 29 47.885 -20.649 -19.172 1.00 0.00 H new ATOM 0 HD22 ASN A 29 47.918 -21.188 -17.490 1.00 0.00 H new ATOM 428 N PHE A 30 49.381 -22.251 -14.332 1.00 0.00 N ATOM 429 CA PHE A 30 48.333 -22.413 -13.331 1.00 0.00 C ATOM 430 C PHE A 30 48.911 -22.934 -12.018 1.00 0.00 C ATOM 431 O PHE A 30 50.053 -23.388 -11.967 1.00 0.00 O ATOM 432 CB PHE A 30 47.254 -23.371 -13.842 1.00 0.00 C ATOM 433 CG PHE A 30 47.792 -24.706 -14.272 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.170 -25.651 -13.332 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.921 -25.015 -15.616 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.665 -26.880 -13.724 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.415 -26.243 -16.014 1.00 0.00 C ATOM 438 CZ PHE A 30 48.789 -27.176 -15.067 1.00 0.00 C ATOM 0 H PHE A 30 50.133 -22.938 -14.270 1.00 0.00 H new ATOM 0 HA PHE A 30 47.885 -21.436 -13.148 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.513 -23.523 -13.057 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.738 -22.908 -14.683 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.077 -25.424 -12.280 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.632 -24.288 -16.361 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.955 -27.608 -12.981 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.508 -26.473 -17.065 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.178 -28.135 -15.376 1.00 0.00 H new ATOM 448 N GLY A 31 48.112 -22.863 -10.958 1.00 0.00 N ATOM 449 CA GLY A 31 48.561 -23.330 -9.659 1.00 0.00 C ATOM 450 C GLY A 31 47.498 -24.127 -8.930 1.00 0.00 C ATOM 451 O GLY A 31 46.353 -24.204 -9.377 1.00 0.00 O ATOM 0 H GLY A 31 47.162 -22.491 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.450 -23.947 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.851 -22.474 -9.049 1.00 0.00 H new ATOM 455 N PHE A 32 47.876 -24.725 -7.805 1.00 0.00 N ATOM 456 CA PHE A 32 46.947 -25.524 -7.014 1.00 0.00 C ATOM 457 C PHE A 32 46.993 -25.115 -5.545 1.00 0.00 C ATOM 458 O PHE A 32 48.054 -24.786 -5.015 1.00 0.00 O ATOM 459 CB PHE A 32 47.275 -27.012 -7.152 1.00 0.00 C ATOM 460 CG PHE A 32 47.030 -27.555 -8.531 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.743 -27.651 -9.033 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.088 -27.968 -9.325 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.515 -28.151 -10.302 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.866 -28.468 -10.595 1.00 0.00 C ATOM 465 CZ PHE A 32 46.578 -28.559 -11.084 1.00 0.00 C ATOM 0 H PHE A 32 48.819 -24.671 -7.421 1.00 0.00 H new ATOM 0 HA PHE A 32 45.940 -25.345 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.320 -27.171 -6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.676 -27.576 -6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 32 44.908 -27.332 -8.427 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.098 -27.899 -8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.506 -28.222 -10.681 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.699 -28.787 -11.204 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.402 -28.948 -12.076 1.00 0.00 H new ATOM 475 N ILE A 33 45.835 -25.139 -4.894 1.00 0.00 N ATOM 476 CA ILE A 33 45.743 -24.772 -3.486 1.00 0.00 C ATOM 477 C ILE A 33 45.327 -25.966 -2.633 1.00 0.00 C ATOM 478 O ILE A 33 44.427 -26.720 -3.001 1.00 0.00 O ATOM 479 CB ILE A 33 44.739 -23.625 -3.268 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.107 -22.424 -4.142 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.700 -23.227 -1.800 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.036 -21.356 -4.183 1.00 0.00 C ATOM 0 H ILE A 33 44.948 -25.409 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 33 46.735 -24.439 -3.181 1.00 0.00 H new ATOM 0 HB ILE A 33 43.746 -23.970 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.033 -21.985 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.303 -22.770 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.986 -22.415 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.396 -24.084 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.690 -22.896 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.365 -20.535 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.115 -21.780 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.856 -20.982 -3.175 1.00 0.00 H new ATOM 494 N GLU A 34 45.986 -26.128 -1.490 1.00 0.00 N ATOM 495 CA GLU A 34 45.683 -27.230 -0.584 1.00 0.00 C ATOM 496 C GLU A 34 44.856 -26.746 0.603 1.00 0.00 C ATOM 497 O GLU A 34 45.280 -25.867 1.354 1.00 0.00 O ATOM 498 CB GLU A 34 46.976 -27.881 -0.087 1.00 0.00 C ATOM 499 CG GLU A 34 47.116 -29.339 -0.489 1.00 0.00 C ATOM 500 CD GLU A 34 48.011 -30.121 0.453 1.00 0.00 C ATOM 501 OE1 GLU A 34 49.188 -29.733 0.611 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.535 -31.119 1.033 1.00 0.00 O ATOM 0 H GLU A 34 46.732 -25.511 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 34 45.100 -27.969 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.827 -27.322 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.016 -27.807 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.129 -29.801 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.521 -29.396 -1.500 1.00 0.00 H new ATOM 509 N THR A 35 43.670 -27.325 0.766 1.00 0.00 N ATOM 510 CA THR A 35 42.781 -26.953 1.860 1.00 0.00 C ATOM 511 C THR A 35 43.281 -27.509 3.188 1.00 0.00 C ATOM 512 O THR A 35 44.096 -28.430 3.219 1.00 0.00 O ATOM 513 CB THR A 35 41.346 -27.455 1.613 1.00 0.00 C ATOM 514 OG1 THR A 35 41.339 -28.883 1.506 1.00 0.00 O ATOM 515 CG2 THR A 35 40.769 -26.843 0.346 1.00 0.00 C ATOM 0 H THR A 35 43.303 -28.054 0.154 1.00 0.00 H new ATOM 0 HA THR A 35 42.774 -25.864 1.905 1.00 0.00 H new ATOM 0 HB THR A 35 40.728 -27.151 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 35 41.396 -29.141 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.755 -27.212 0.193 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.749 -25.757 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.389 -27.120 -0.507 1.00 0.00 H new ATOM 523 N ALA A 36 42.787 -26.943 4.284 1.00 0.00 N ATOM 524 CA ALA A 36 43.182 -27.385 5.616 1.00 0.00 C ATOM 525 C ALA A 36 42.913 -28.874 5.803 1.00 0.00 C ATOM 526 O ALA A 36 43.604 -29.548 6.566 1.00 0.00 O ATOM 527 CB ALA A 36 42.450 -26.577 6.678 1.00 0.00 C ATOM 0 H ALA A 36 42.113 -26.178 4.276 1.00 0.00 H new ATOM 0 HA ALA A 36 44.254 -27.220 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.754 -26.917 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.696 -25.521 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.375 -26.713 6.562 1.00 0.00 H new ATOM 533 N ASN A 37 41.905 -29.381 5.101 1.00 0.00 N ATOM 534 CA ASN A 37 41.544 -30.792 5.191 1.00 0.00 C ATOM 535 C ASN A 37 42.470 -31.646 4.331 1.00 0.00 C ATOM 536 O ASN A 37 42.644 -32.839 4.582 1.00 0.00 O ATOM 537 CB ASN A 37 40.092 -30.997 4.756 1.00 0.00 C ATOM 538 CG ASN A 37 39.522 -32.313 5.247 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.551 -33.319 4.538 1.00 0.00 O ATOM 540 ND2 ASN A 37 38.998 -32.312 6.468 1.00 0.00 N ATOM 0 H ASN A 37 41.324 -28.837 4.464 1.00 0.00 H new ATOM 0 HA ASN A 37 41.652 -31.104 6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.483 -30.176 5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 37 40.033 -30.962 3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 37 38.599 -33.168 6.852 1.00 0.00 H new ATOM 0 HD22 ASN A 37 38.995 -31.455 7.021 1.00 0.00 H new ATOM 547 N HIS A 38 43.064 -31.027 3.315 1.00 0.00 N ATOM 548 CA HIS A 38 43.974 -31.730 2.417 1.00 0.00 C ATOM 549 C HIS A 38 43.258 -32.873 1.704 1.00 0.00 C ATOM 550 O HIS A 38 43.812 -33.960 1.542 1.00 0.00 O ATOM 551 CB HIS A 38 45.174 -32.270 3.195 1.00 0.00 C ATOM 552 CG HIS A 38 45.878 -31.229 4.010 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.418 -30.084 3.463 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.127 -31.164 5.338 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.971 -29.360 4.420 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.807 -29.993 5.568 1.00 0.00 N ATOM 0 H HIS A 38 42.931 -30.040 3.093 1.00 0.00 H new ATOM 0 HA HIS A 38 44.326 -31.022 1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.838 -33.070 3.855 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.882 -32.711 2.494 1.00 0.00 H new ATOM 0 HD1 HIS A 38 46.394 -29.835 2.474 1.00 0.00 H new ATOM 0 HD2 HIS A 38 45.844 -31.896 6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 38 47.472 -28.412 4.287 1.00 0.00 H new ATOM 564 N ASP A 39 42.024 -32.620 1.282 1.00 0.00 N ATOM 565 CA ASP A 39 41.232 -33.628 0.586 1.00 0.00 C ATOM 566 C ASP A 39 40.876 -33.162 -0.822 1.00 0.00 C ATOM 567 O ASP A 39 40.825 -33.960 -1.758 1.00 0.00 O ATOM 568 CB ASP A 39 39.958 -33.938 1.372 1.00 0.00 C ATOM 569 CG ASP A 39 39.020 -34.857 0.614 1.00 0.00 C ATOM 570 OD1 ASP A 39 39.198 -36.090 0.702 1.00 0.00 O ATOM 571 OD2 ASP A 39 38.107 -34.344 -0.067 1.00 0.00 O ATOM 0 H ASP A 39 41.550 -31.726 1.410 1.00 0.00 H new ATOM 0 HA ASP A 39 41.831 -34.535 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.224 -34.399 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.441 -33.006 1.603 1.00 0.00 H new ATOM 576 N LYS A 40 40.629 -31.864 -0.966 1.00 0.00 N ATOM 577 CA LYS A 40 40.277 -31.290 -2.259 1.00 0.00 C ATOM 578 C LYS A 40 41.189 -30.115 -2.599 1.00 0.00 C ATOM 579 O LYS A 40 41.543 -29.322 -1.728 1.00 0.00 O ATOM 580 CB LYS A 40 38.817 -30.832 -2.257 1.00 0.00 C ATOM 581 CG LYS A 40 38.284 -30.490 -3.637 1.00 0.00 C ATOM 582 CD LYS A 40 36.887 -29.897 -3.565 1.00 0.00 C ATOM 583 CE LYS A 40 35.820 -30.980 -3.591 1.00 0.00 C ATOM 584 NZ LYS A 40 35.019 -31.001 -2.336 1.00 0.00 N ATOM 0 H LYS A 40 40.666 -31.189 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 40 40.408 -32.061 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.199 -31.618 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.720 -29.958 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.956 -29.782 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 40 38.267 -31.388 -4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.787 -29.308 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.736 -29.216 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.158 -30.817 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.292 -31.952 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.303 -31.753 -2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.647 -31.182 -1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.547 -30.083 -2.210 1.00 0.00 H new ATOM 598 N GLU A 41 41.563 -30.011 -3.870 1.00 0.00 N ATOM 599 CA GLU A 41 42.432 -28.932 -4.324 1.00 0.00 C ATOM 600 C GLU A 41 41.650 -27.911 -5.144 1.00 0.00 C ATOM 601 O GLU A 41 40.528 -28.176 -5.578 1.00 0.00 O ATOM 602 CB GLU A 41 43.587 -29.493 -5.156 1.00 0.00 C ATOM 603 CG GLU A 41 44.274 -30.688 -4.516 1.00 0.00 C ATOM 604 CD GLU A 41 45.379 -31.260 -5.383 1.00 0.00 C ATOM 605 OE1 GLU A 41 45.060 -31.996 -6.340 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.561 -30.972 -5.104 1.00 0.00 O ATOM 0 H GLU A 41 41.278 -30.660 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 41 42.836 -28.432 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.210 -29.784 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.323 -28.705 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.690 -30.390 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.535 -31.464 -4.318 1.00 0.00 H new ATOM 613 N ILE A 42 42.249 -26.743 -5.352 1.00 0.00 N ATOM 614 CA ILE A 42 41.609 -25.682 -6.120 1.00 0.00 C ATOM 615 C ILE A 42 42.378 -25.394 -7.405 1.00 0.00 C ATOM 616 O ILE A 42 43.606 -25.482 -7.440 1.00 0.00 O ATOM 617 CB ILE A 42 41.495 -24.384 -5.301 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.900 -24.676 -3.922 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.649 -23.361 -6.043 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.496 -25.238 -3.976 1.00 0.00 C ATOM 0 H ILE A 42 43.177 -26.508 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 42 40.608 -26.033 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 42 42.494 -23.969 -5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.545 -25.382 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.892 -23.757 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.578 -22.449 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.111 -23.135 -7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.650 -23.765 -6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.138 -25.421 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.837 -24.524 -4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.500 -26.174 -4.534 1.00 0.00 H new ATOM 632 N PHE A 43 41.648 -25.046 -8.460 1.00 0.00 N ATOM 633 CA PHE A 43 42.261 -24.743 -9.748 1.00 0.00 C ATOM 634 C PHE A 43 42.028 -23.284 -10.131 1.00 0.00 C ATOM 635 O PHE A 43 40.892 -22.864 -10.355 1.00 0.00 O ATOM 636 CB PHE A 43 41.700 -25.664 -10.833 1.00 0.00 C ATOM 637 CG PHE A 43 42.243 -25.375 -12.204 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.655 -24.413 -13.008 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.342 -26.068 -12.687 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.153 -24.145 -14.269 1.00 0.00 C ATOM 641 CE2 PHE A 43 43.844 -25.804 -13.948 1.00 0.00 C ATOM 642 CZ PHE A 43 43.248 -24.842 -14.740 1.00 0.00 C ATOM 0 H PHE A 43 40.631 -24.967 -8.448 1.00 0.00 H new ATOM 0 HA PHE A 43 43.335 -24.910 -9.660 1.00 0.00 H new ATOM 0 HB2 PHE A 43 41.925 -26.698 -10.572 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.614 -25.569 -10.853 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.797 -23.866 -12.645 1.00 0.00 H new ATOM 0 HD2 PHE A 43 43.811 -26.822 -12.072 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.686 -23.391 -14.885 1.00 0.00 H new ATOM 0 HE2 PHE A 43 44.701 -26.350 -14.313 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.638 -24.635 -15.726 1.00 0.00 H new ATOM 652 N PHE A 44 43.111 -22.518 -10.205 1.00 0.00 N ATOM 653 CA PHE A 44 43.025 -21.106 -10.560 1.00 0.00 C ATOM 654 C PHE A 44 44.040 -20.755 -11.644 1.00 0.00 C ATOM 655 O PHE A 44 45.206 -21.142 -11.567 1.00 0.00 O ATOM 656 CB PHE A 44 43.258 -20.233 -9.325 1.00 0.00 C ATOM 657 CG PHE A 44 44.679 -20.251 -8.838 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.100 -21.204 -7.925 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.593 -19.314 -9.293 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.407 -21.223 -7.474 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.901 -19.329 -8.847 1.00 0.00 C ATOM 662 CZ PHE A 44 47.308 -20.284 -7.935 1.00 0.00 C ATOM 0 H PHE A 44 44.058 -22.851 -10.024 1.00 0.00 H new ATOM 0 HA PHE A 44 42.025 -20.915 -10.948 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.975 -19.206 -9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.603 -20.571 -8.522 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.399 -21.941 -7.561 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.280 -18.564 -10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.723 -21.971 -6.762 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.605 -18.595 -9.211 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.329 -20.296 -7.583 1.00 0.00 H new ATOM 672 N HIS A 45 43.587 -20.019 -12.654 1.00 0.00 N ATOM 673 CA HIS A 45 44.455 -19.615 -13.755 1.00 0.00 C ATOM 674 C HIS A 45 45.253 -18.368 -13.387 1.00 0.00 C ATOM 675 O HIS A 45 44.824 -17.565 -12.558 1.00 0.00 O ATOM 676 CB HIS A 45 43.628 -19.353 -15.014 1.00 0.00 C ATOM 677 CG HIS A 45 44.004 -20.228 -16.170 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.629 -19.751 -17.303 1.00 0.00 N ATOM 679 CD2 HIS A 45 43.841 -21.557 -16.363 1.00 0.00 C ATOM 680 CE1 HIS A 45 44.833 -20.749 -18.144 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.364 -21.856 -17.597 1.00 0.00 N ATOM 0 H HIS A 45 42.625 -19.690 -12.733 1.00 0.00 H new ATOM 0 HA HIS A 45 45.154 -20.428 -13.952 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.573 -19.503 -14.784 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.746 -18.309 -15.305 1.00 0.00 H new ATOM 0 HD2 HIS A 45 43.385 -22.253 -15.675 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.303 -20.673 -19.113 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.387 -22.783 -18.022 1.00 0.00 H new ATOM 689 N TYR A 46 46.417 -18.212 -14.009 1.00 0.00 N ATOM 690 CA TYR A 46 47.277 -17.064 -13.745 1.00 0.00 C ATOM 691 C TYR A 46 46.543 -15.757 -14.027 1.00 0.00 C ATOM 692 O TYR A 46 46.527 -14.849 -13.196 1.00 0.00 O ATOM 693 CB TYR A 46 48.545 -17.144 -14.597 1.00 0.00 C ATOM 694 CG TYR A 46 49.738 -17.704 -13.856 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.623 -18.850 -13.078 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.981 -17.087 -13.933 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.710 -19.364 -12.399 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.074 -17.596 -13.258 1.00 0.00 C ATOM 699 CZ TYR A 46 51.933 -18.734 -12.492 1.00 0.00 C ATOM 700 OH TYR A 46 53.019 -19.244 -11.818 1.00 0.00 O ATOM 0 H TYR A 46 46.786 -18.866 -14.699 1.00 0.00 H new ATOM 0 HA TYR A 46 47.553 -17.084 -12.691 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.347 -17.764 -15.471 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.790 -16.147 -14.963 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.667 -19.347 -13.003 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.095 -16.195 -14.531 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.603 -20.255 -11.798 1.00 0.00 H new ATOM 0 HE2 TYR A 46 53.033 -17.105 -13.330 1.00 0.00 H new ATOM 0 HH TYR A 46 53.450 -19.933 -12.366 1.00 0.00 H new ATOM 710 N SER A 47 45.935 -15.670 -15.206 1.00 0.00 N ATOM 711 CA SER A 47 45.201 -14.473 -15.601 1.00 0.00 C ATOM 712 C SER A 47 44.144 -14.116 -14.560 1.00 0.00 C ATOM 713 O SER A 47 43.826 -12.944 -14.361 1.00 0.00 O ATOM 714 CB SER A 47 44.540 -14.682 -16.965 1.00 0.00 C ATOM 715 OG SER A 47 44.915 -13.662 -17.875 1.00 0.00 O ATOM 0 H SER A 47 45.936 -16.414 -15.904 1.00 0.00 H new ATOM 0 HA SER A 47 45.910 -13.648 -15.671 1.00 0.00 H new ATOM 0 HB2 SER A 47 44.826 -15.654 -17.366 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.456 -14.691 -16.850 1.00 0.00 H new ATOM 0 HG SER A 47 44.481 -13.819 -18.739 1.00 0.00 H new ATOM 721 N GLU A 48 43.603 -15.136 -13.901 1.00 0.00 N ATOM 722 CA GLU A 48 42.581 -14.930 -12.881 1.00 0.00 C ATOM 723 C GLU A 48 43.199 -14.396 -11.592 1.00 0.00 C ATOM 724 O GLU A 48 42.539 -13.709 -10.812 1.00 0.00 O ATOM 725 CB GLU A 48 41.838 -16.237 -12.601 1.00 0.00 C ATOM 726 CG GLU A 48 41.147 -16.819 -13.822 1.00 0.00 C ATOM 727 CD GLU A 48 39.729 -16.306 -13.989 1.00 0.00 C ATOM 728 OE1 GLU A 48 39.565 -15.138 -14.398 1.00 0.00 O ATOM 729 OE2 GLU A 48 38.785 -17.074 -13.711 1.00 0.00 O ATOM 0 H GLU A 48 43.855 -16.112 -14.055 1.00 0.00 H new ATOM 0 HA GLU A 48 41.872 -14.192 -13.256 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.544 -16.970 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 48 41.095 -16.063 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.725 -16.575 -14.713 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.129 -17.906 -13.741 1.00 0.00 H new ATOM 736 N PHE A 49 44.470 -14.717 -11.375 1.00 0.00 N ATOM 737 CA PHE A 49 45.178 -14.272 -10.180 1.00 0.00 C ATOM 738 C PHE A 49 45.643 -12.827 -10.330 1.00 0.00 C ATOM 739 O PHE A 49 46.562 -12.536 -11.096 1.00 0.00 O ATOM 740 CB PHE A 49 46.378 -15.180 -9.904 1.00 0.00 C ATOM 741 CG PHE A 49 46.975 -14.986 -8.539 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.754 -13.875 -8.261 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.758 -15.916 -7.535 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.305 -13.693 -7.007 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.306 -15.739 -6.279 1.00 0.00 C ATOM 746 CZ PHE A 49 48.081 -14.627 -6.014 1.00 0.00 C ATOM 0 H PHE A 49 45.031 -15.284 -12.011 1.00 0.00 H new ATOM 0 HA PHE A 49 44.488 -14.328 -9.338 1.00 0.00 H new ATOM 0 HB2 PHE A 49 46.069 -16.220 -10.012 1.00 0.00 H new ATOM 0 HB3 PHE A 49 47.144 -14.995 -10.657 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.933 -13.142 -9.034 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.154 -16.788 -7.736 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.910 -12.822 -6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.128 -16.470 -5.504 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.511 -14.488 -5.033 1.00 0.00 H new ATOM 756 N SER A 50 45.002 -11.925 -9.594 1.00 0.00 N ATOM 757 CA SER A 50 45.347 -10.509 -9.647 1.00 0.00 C ATOM 758 C SER A 50 46.441 -10.178 -8.638 1.00 0.00 C ATOM 759 O SER A 50 46.175 -10.017 -7.447 1.00 0.00 O ATOM 760 CB SER A 50 44.110 -9.651 -9.376 1.00 0.00 C ATOM 761 OG SER A 50 44.243 -8.367 -9.960 1.00 0.00 O ATOM 0 H SER A 50 44.241 -12.150 -8.954 1.00 0.00 H new ATOM 0 HA SER A 50 45.721 -10.289 -10.647 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.225 -10.146 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.961 -9.551 -8.301 1.00 0.00 H new ATOM 0 HG SER A 50 43.439 -7.838 -9.774 1.00 0.00 H new ATOM 767 N GLY A 51 47.675 -10.077 -9.123 1.00 0.00 N ATOM 768 CA GLY A 51 48.792 -9.766 -8.251 1.00 0.00 C ATOM 769 C GLY A 51 50.117 -10.246 -8.811 1.00 0.00 C ATOM 770 O GLY A 51 50.246 -10.464 -10.015 1.00 0.00 O ATOM 0 H GLY A 51 47.921 -10.205 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.837 -8.688 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.626 -10.224 -7.276 1.00 0.00 H new ATOM 774 N ASP A 52 51.103 -10.408 -7.936 1.00 0.00 N ATOM 775 CA ASP A 52 52.425 -10.865 -8.350 1.00 0.00 C ATOM 776 C ASP A 52 52.481 -12.388 -8.403 1.00 0.00 C ATOM 777 O ASP A 52 53.271 -13.016 -7.697 1.00 0.00 O ATOM 778 CB ASP A 52 53.494 -10.336 -7.392 1.00 0.00 C ATOM 779 CG ASP A 52 53.461 -8.825 -7.266 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.961 -8.162 -8.199 1.00 0.00 O ATOM 781 OD2 ASP A 52 53.934 -8.306 -6.233 1.00 0.00 O ATOM 0 H ASP A 52 51.012 -10.230 -6.936 1.00 0.00 H new ATOM 0 HA ASP A 52 52.620 -10.477 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.350 -10.783 -6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.478 -10.647 -7.742 1.00 0.00 H new ATOM 786 N VAL A 53 51.638 -12.978 -9.244 1.00 0.00 N ATOM 787 CA VAL A 53 51.592 -14.428 -9.390 1.00 0.00 C ATOM 788 C VAL A 53 52.932 -14.975 -9.866 1.00 0.00 C ATOM 789 O VAL A 53 53.278 -16.125 -9.592 1.00 0.00 O ATOM 790 CB VAL A 53 50.493 -14.858 -10.380 1.00 0.00 C ATOM 791 CG1 VAL A 53 50.838 -14.404 -11.790 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.292 -16.365 -10.331 1.00 0.00 C ATOM 0 H VAL A 53 50.977 -12.474 -9.835 1.00 0.00 H new ATOM 0 HA VAL A 53 51.365 -14.838 -8.406 1.00 0.00 H new ATOM 0 HB VAL A 53 49.558 -14.380 -10.088 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.051 -14.717 -12.476 1.00 0.00 H new ATOM 0 HG12 VAL A 53 50.927 -13.318 -11.811 1.00 0.00 H new ATOM 0 HG13 VAL A 53 51.784 -14.852 -12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.512 -16.651 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.223 -16.865 -10.597 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.996 -16.660 -9.324 1.00 0.00 H new ATOM 802 N ASP A 54 53.684 -14.145 -10.581 1.00 0.00 N ATOM 803 CA ASP A 54 54.989 -14.545 -11.094 1.00 0.00 C ATOM 804 C ASP A 54 56.015 -14.625 -9.968 1.00 0.00 C ATOM 805 O ASP A 54 56.926 -15.451 -10.003 1.00 0.00 O ATOM 806 CB ASP A 54 55.463 -13.560 -12.164 1.00 0.00 C ATOM 807 CG ASP A 54 54.859 -13.848 -13.525 1.00 0.00 C ATOM 808 OD1 ASP A 54 55.156 -14.921 -14.092 1.00 0.00 O ATOM 809 OD2 ASP A 54 54.088 -13.001 -14.022 1.00 0.00 O ATOM 0 H ASP A 54 53.412 -13.191 -10.818 1.00 0.00 H new ATOM 0 HA ASP A 54 54.889 -15.534 -11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 54 55.202 -12.546 -11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.550 -13.602 -12.236 1.00 0.00 H new ATOM 814 N SER A 55 55.861 -13.759 -8.971 1.00 0.00 N ATOM 815 CA SER A 55 56.777 -13.729 -7.837 1.00 0.00 C ATOM 816 C SER A 55 56.152 -14.398 -6.617 1.00 0.00 C ATOM 817 O SER A 55 56.350 -13.958 -5.483 1.00 0.00 O ATOM 818 CB SER A 55 57.158 -12.286 -7.502 1.00 0.00 C ATOM 819 OG SER A 55 58.511 -12.199 -7.088 1.00 0.00 O ATOM 0 H SER A 55 55.111 -13.069 -8.926 1.00 0.00 H new ATOM 0 HA SER A 55 57.676 -14.281 -8.112 1.00 0.00 H new ATOM 0 HB2 SER A 55 57.000 -11.653 -8.375 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.508 -11.909 -6.713 1.00 0.00 H new ATOM 0 HG SER A 55 58.730 -11.267 -6.881 1.00 0.00 H new ATOM 825 N LEU A 56 55.398 -15.465 -6.856 1.00 0.00 N ATOM 826 CA LEU A 56 54.744 -16.197 -5.778 1.00 0.00 C ATOM 827 C LEU A 56 55.644 -17.310 -5.250 1.00 0.00 C ATOM 828 O LEU A 56 56.613 -17.698 -5.902 1.00 0.00 O ATOM 829 CB LEU A 56 53.418 -16.786 -6.265 1.00 0.00 C ATOM 830 CG LEU A 56 52.162 -15.983 -5.925 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.933 -16.628 -6.546 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.999 -15.860 -4.417 1.00 0.00 C ATOM 0 H LEU A 56 55.224 -15.843 -7.788 1.00 0.00 H new ATOM 0 HA LEU A 56 54.547 -15.498 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 56 53.470 -16.900 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 56 53.311 -17.786 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 56 52.270 -14.981 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 56 50.048 -16.043 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 56 51.048 -16.662 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.820 -17.641 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 56 51.100 -15.285 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.913 -16.854 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.867 -15.352 -3.997 1.00 0.00 H new ATOM 844 N GLU A 57 55.316 -17.819 -4.067 1.00 0.00 N ATOM 845 CA GLU A 57 56.095 -18.888 -3.454 1.00 0.00 C ATOM 846 C GLU A 57 55.181 -19.924 -2.804 1.00 0.00 C ATOM 847 O GLU A 57 53.983 -19.693 -2.637 1.00 0.00 O ATOM 848 CB GLU A 57 57.057 -18.315 -2.411 1.00 0.00 C ATOM 849 CG GLU A 57 56.401 -17.336 -1.451 1.00 0.00 C ATOM 850 CD GLU A 57 57.184 -17.168 -0.164 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.186 -16.423 -0.172 1.00 0.00 O ATOM 852 OE2 GLU A 57 56.795 -17.783 0.852 1.00 0.00 O ATOM 0 H GLU A 57 54.517 -17.509 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 57 56.671 -19.378 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.491 -19.136 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.878 -17.814 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.300 -16.367 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 57 55.394 -17.682 -1.217 1.00 0.00 H new ATOM 859 N LEU A 58 55.755 -21.065 -2.441 1.00 0.00 N ATOM 860 CA LEU A 58 54.993 -22.138 -1.810 1.00 0.00 C ATOM 861 C LEU A 58 54.797 -21.864 -0.322 1.00 0.00 C ATOM 862 O LEU A 58 55.751 -21.573 0.397 1.00 0.00 O ATOM 863 CB LEU A 58 55.705 -23.478 -2.004 1.00 0.00 C ATOM 864 CG LEU A 58 55.929 -23.916 -3.452 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.958 -25.034 -3.518 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.617 -24.357 -4.084 1.00 0.00 C ATOM 0 H LEU A 58 56.745 -21.272 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 58 54.013 -22.182 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.674 -23.427 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.127 -24.251 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 58 56.312 -23.065 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.105 -25.333 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.904 -24.683 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.604 -25.888 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.795 -24.665 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.205 -25.194 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 58 53.910 -23.528 -4.070 1.00 0.00 H new ATOM 878 N GLY A 59 53.551 -21.961 0.133 1.00 0.00 N ATOM 879 CA GLY A 59 53.252 -21.723 1.533 1.00 0.00 C ATOM 880 C GLY A 59 52.534 -20.406 1.757 1.00 0.00 C ATOM 881 O GLY A 59 51.863 -20.222 2.772 1.00 0.00 O ATOM 0 H GLY A 59 52.744 -22.200 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.637 -22.538 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.179 -21.730 2.106 1.00 0.00 H new ATOM 885 N ASP A 60 52.677 -19.488 0.807 1.00 0.00 N ATOM 886 CA ASP A 60 52.037 -18.181 0.906 1.00 0.00 C ATOM 887 C ASP A 60 50.518 -18.318 0.902 1.00 0.00 C ATOM 888 O ASP A 60 49.953 -19.049 0.089 1.00 0.00 O ATOM 889 CB ASP A 60 52.483 -17.283 -0.249 1.00 0.00 C ATOM 890 CG ASP A 60 53.673 -16.417 0.117 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.293 -16.677 1.169 1.00 0.00 O ATOM 892 OD2 ASP A 60 53.983 -15.480 -0.648 1.00 0.00 O ATOM 0 H ASP A 60 53.230 -19.624 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 60 52.340 -17.726 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.739 -17.902 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.652 -16.645 -0.551 1.00 0.00 H new ATOM 897 N MET A 61 49.863 -17.611 1.817 1.00 0.00 N ATOM 898 CA MET A 61 48.409 -17.654 1.919 1.00 0.00 C ATOM 899 C MET A 61 47.760 -16.915 0.752 1.00 0.00 C ATOM 900 O MET A 61 48.332 -15.972 0.207 1.00 0.00 O ATOM 901 CB MET A 61 47.950 -17.042 3.244 1.00 0.00 C ATOM 902 CG MET A 61 47.915 -18.037 4.393 1.00 0.00 C ATOM 903 SD MET A 61 48.432 -17.308 5.959 1.00 0.00 S ATOM 904 CE MET A 61 50.178 -17.705 5.957 1.00 0.00 C ATOM 0 H MET A 61 50.316 -17.002 2.498 1.00 0.00 H new ATOM 0 HA MET A 61 48.098 -18.698 1.883 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.617 -16.220 3.506 1.00 0.00 H new ATOM 0 HB3 MET A 61 46.955 -16.616 3.113 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.904 -18.431 4.496 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.564 -18.881 4.158 1.00 0.00 H new ATOM 0 HE1 MET A 61 50.640 -17.319 6.866 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.305 -18.787 5.917 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.653 -17.251 5.087 1.00 0.00 H new ATOM 914 N VAL A 62 46.562 -17.351 0.374 1.00 0.00 N ATOM 915 CA VAL A 62 45.835 -16.730 -0.727 1.00 0.00 C ATOM 916 C VAL A 62 44.333 -16.742 -0.470 1.00 0.00 C ATOM 917 O VAL A 62 43.803 -17.680 0.124 1.00 0.00 O ATOM 918 CB VAL A 62 46.123 -17.443 -2.061 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.551 -17.178 -2.512 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.863 -18.936 -1.934 1.00 0.00 C ATOM 0 H VAL A 62 46.075 -18.132 0.814 1.00 0.00 H new ATOM 0 HA VAL A 62 46.180 -15.698 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 62 45.449 -17.043 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.735 -17.690 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.697 -16.106 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.245 -17.547 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.072 -19.424 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.510 -19.354 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.821 -19.102 -1.662 1.00 0.00 H new ATOM 930 N GLU A 63 43.652 -15.693 -0.922 1.00 0.00 N ATOM 931 CA GLU A 63 42.209 -15.584 -0.740 1.00 0.00 C ATOM 932 C GLU A 63 41.472 -15.903 -2.037 1.00 0.00 C ATOM 933 O GLU A 63 41.909 -15.520 -3.123 1.00 0.00 O ATOM 934 CB GLU A 63 41.838 -14.179 -0.261 1.00 0.00 C ATOM 935 CG GLU A 63 40.493 -14.111 0.443 1.00 0.00 C ATOM 936 CD GLU A 63 40.114 -12.698 0.840 1.00 0.00 C ATOM 937 OE1 GLU A 63 40.710 -11.747 0.294 1.00 0.00 O ATOM 938 OE2 GLU A 63 39.219 -12.544 1.698 1.00 0.00 O ATOM 0 H GLU A 63 44.076 -14.908 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 63 41.908 -16.309 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.612 -13.819 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.825 -13.504 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 63 39.723 -14.519 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.521 -14.740 1.333 1.00 0.00 H new ATOM 945 N TYR A 64 40.351 -16.606 -1.916 1.00 0.00 N ATOM 946 CA TYR A 64 39.554 -16.979 -3.078 1.00 0.00 C ATOM 947 C TYR A 64 38.098 -17.216 -2.687 1.00 0.00 C ATOM 948 O TYR A 64 37.738 -17.132 -1.513 1.00 0.00 O ATOM 949 CB TYR A 64 40.128 -18.235 -3.735 1.00 0.00 C ATOM 950 CG TYR A 64 40.211 -19.422 -2.802 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.328 -19.623 -2.000 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.173 -20.341 -2.721 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.409 -20.707 -1.147 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.244 -21.427 -1.870 1.00 0.00 C ATOM 955 CZ TYR A 64 40.364 -21.605 -1.085 1.00 0.00 C ATOM 956 OH TYR A 64 40.440 -22.685 -0.235 1.00 0.00 O ATOM 0 H TYR A 64 39.974 -16.929 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 64 39.590 -16.155 -3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.511 -18.500 -4.593 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.125 -18.012 -4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 64 42.147 -18.920 -2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.295 -20.204 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 64 42.285 -20.850 -0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 64 38.428 -22.132 -1.820 1.00 0.00 H new ATOM 0 HH TYR A 64 40.835 -22.404 0.617 1.00 0.00 H new ATOM 966 N SER A 65 37.266 -17.513 -3.680 1.00 0.00 N ATOM 967 CA SER A 65 35.849 -17.759 -3.442 1.00 0.00 C ATOM 968 C SER A 65 35.398 -19.044 -4.130 1.00 0.00 C ATOM 969 O SER A 65 36.112 -19.597 -4.968 1.00 0.00 O ATOM 970 CB SER A 65 35.013 -16.579 -3.943 1.00 0.00 C ATOM 971 OG SER A 65 35.735 -15.364 -3.842 1.00 0.00 O ATOM 0 H SER A 65 37.549 -17.589 -4.657 1.00 0.00 H new ATOM 0 HA SER A 65 35.700 -17.870 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.723 -16.749 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.093 -16.508 -3.363 1.00 0.00 H new ATOM 0 HG SER A 65 35.180 -14.626 -4.170 1.00 0.00 H new ATOM 977 N LEU A 66 34.209 -19.515 -3.770 1.00 0.00 N ATOM 978 CA LEU A 66 33.661 -20.735 -4.351 1.00 0.00 C ATOM 979 C LEU A 66 32.323 -20.461 -5.030 1.00 0.00 C ATOM 980 O LEU A 66 31.516 -19.672 -4.538 1.00 0.00 O ATOM 981 CB LEU A 66 33.489 -21.805 -3.271 1.00 0.00 C ATOM 982 CG LEU A 66 34.778 -22.375 -2.680 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.473 -23.234 -1.463 1.00 0.00 C ATOM 984 CD2 LEU A 66 35.534 -23.181 -3.727 1.00 0.00 C ATOM 0 H LEU A 66 33.606 -19.070 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 66 34.362 -21.097 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 66 32.897 -21.382 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 66 32.911 -22.628 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 66 35.409 -21.544 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.403 -23.631 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 66 33.975 -22.629 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.823 -24.059 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.449 -23.579 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 66 34.909 -24.004 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 66 35.786 -22.537 -4.570 1.00 0.00 H new ATOM 1117 N SER A 75 36.739 -24.632 -8.690 1.00 0.00 N ATOM 1118 CA SER A 75 37.873 -23.777 -9.022 1.00 0.00 C ATOM 1119 C SER A 75 37.749 -22.420 -8.334 1.00 0.00 C ATOM 1120 O SER A 75 36.656 -22.003 -7.952 1.00 0.00 O ATOM 1121 CB SER A 75 37.970 -23.587 -10.536 1.00 0.00 C ATOM 1122 OG SER A 75 36.685 -23.432 -11.114 1.00 0.00 O ATOM 0 HA SER A 75 38.781 -24.264 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.580 -22.711 -10.757 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.472 -24.446 -10.982 1.00 0.00 H new ATOM 0 HG SER A 75 36.021 -23.901 -10.566 1.00 0.00 H new ATOM 1128 N ALA A 76 38.879 -21.737 -8.180 1.00 0.00 N ATOM 1129 CA ALA A 76 38.898 -20.427 -7.541 1.00 0.00 C ATOM 1130 C ALA A 76 38.777 -19.311 -8.573 1.00 0.00 C ATOM 1131 O ALA A 76 39.321 -19.409 -9.673 1.00 0.00 O ATOM 1132 CB ALA A 76 40.171 -20.257 -6.725 1.00 0.00 C ATOM 0 H ALA A 76 39.793 -22.069 -8.489 1.00 0.00 H new ATOM 0 HA ALA A 76 38.039 -20.363 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.172 -19.274 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.216 -21.029 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 76 41.038 -20.346 -7.380 1.00 0.00 H new ATOM 1138 N GLU A 77 38.059 -18.252 -8.211 1.00 0.00 N ATOM 1139 CA GLU A 77 37.866 -17.119 -9.108 1.00 0.00 C ATOM 1140 C GLU A 77 38.327 -15.821 -8.452 1.00 0.00 C ATOM 1141 O GLU A 77 37.978 -15.532 -7.307 1.00 0.00 O ATOM 1142 CB GLU A 77 36.394 -17.004 -9.511 1.00 0.00 C ATOM 1143 CG GLU A 77 35.436 -17.039 -8.333 1.00 0.00 C ATOM 1144 CD GLU A 77 33.982 -17.051 -8.763 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.724 -17.006 -9.984 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.102 -17.105 -7.878 1.00 0.00 O ATOM 0 H GLU A 77 37.602 -18.155 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 77 38.468 -17.289 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.248 -16.074 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.148 -17.818 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.640 -17.924 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.616 -16.172 -7.698 1.00 0.00 H new ATOM 1153 N LYS A 78 39.116 -15.042 -9.184 1.00 0.00 N ATOM 1154 CA LYS A 78 39.626 -13.774 -8.676 1.00 0.00 C ATOM 1155 C LYS A 78 40.460 -13.989 -7.417 1.00 0.00 C ATOM 1156 O LYS A 78 40.055 -13.605 -6.319 1.00 0.00 O ATOM 1157 CB LYS A 78 38.469 -12.818 -8.377 1.00 0.00 C ATOM 1158 CG LYS A 78 37.589 -12.533 -9.582 1.00 0.00 C ATOM 1159 CD LYS A 78 36.500 -11.526 -9.252 1.00 0.00 C ATOM 1160 CE LYS A 78 35.557 -11.319 -10.427 1.00 0.00 C ATOM 1161 NZ LYS A 78 34.335 -10.565 -10.031 1.00 0.00 N ATOM 0 H LYS A 78 39.417 -15.267 -10.132 1.00 0.00 H new ATOM 0 HA LYS A 78 40.264 -13.334 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.856 -13.241 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.873 -11.878 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 78 38.202 -12.153 -10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 78 37.135 -13.461 -9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 78 35.934 -11.871 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 78 36.954 -10.574 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 78 36.076 -10.779 -11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 78 35.270 -12.287 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 33.718 -10.445 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 33.826 -11.092 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 34.607 -9.631 -9.663 1.00 0.00 H new ATOM 1175 N VAL A 79 41.627 -14.603 -7.583 1.00 0.00 N ATOM 1176 CA VAL A 79 42.519 -14.866 -6.461 1.00 0.00 C ATOM 1177 C VAL A 79 43.424 -13.670 -6.186 1.00 0.00 C ATOM 1178 O VAL A 79 43.874 -12.994 -7.110 1.00 0.00 O ATOM 1179 CB VAL A 79 43.392 -16.109 -6.717 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.263 -16.408 -5.506 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.523 -17.306 -7.068 1.00 0.00 C ATOM 0 H VAL A 79 41.977 -14.928 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 79 41.888 -15.048 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 79 44.047 -15.904 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.873 -17.289 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.912 -15.556 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.629 -16.594 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 79 43.156 -18.175 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.842 -17.515 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.947 -17.086 -7.967 1.00 0.00 H new ATOM 1191 N ASN A 80 43.688 -13.415 -4.908 1.00 0.00 N ATOM 1192 CA ASN A 80 44.540 -12.300 -4.512 1.00 0.00 C ATOM 1193 C ASN A 80 45.368 -12.659 -3.281 1.00 0.00 C ATOM 1194 O ASN A 80 44.859 -13.250 -2.328 1.00 0.00 O ATOM 1195 CB ASN A 80 43.692 -11.059 -4.225 1.00 0.00 C ATOM 1196 CG ASN A 80 42.937 -11.165 -2.914 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.935 -11.874 -2.817 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.416 -10.458 -1.897 1.00 0.00 N ATOM 0 H ASN A 80 43.324 -13.965 -4.130 1.00 0.00 H new ATOM 0 HA ASN A 80 45.220 -12.084 -5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.336 -10.180 -4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 80 42.982 -10.911 -5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.950 -10.489 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.250 -9.884 -2.023 1.00 0.00 H new ATOM 1205 N LYS A 81 46.646 -12.299 -3.309 1.00 0.00 N ATOM 1206 CA LYS A 81 47.545 -12.580 -2.196 1.00 0.00 C ATOM 1207 C LYS A 81 47.063 -11.897 -0.920 1.00 0.00 C ATOM 1208 O LYS A 81 46.847 -10.685 -0.896 1.00 0.00 O ATOM 1209 CB LYS A 81 48.964 -12.115 -2.530 1.00 0.00 C ATOM 1210 CG LYS A 81 49.928 -13.256 -2.807 1.00 0.00 C ATOM 1211 CD LYS A 81 51.282 -13.011 -2.162 1.00 0.00 C ATOM 1212 CE LYS A 81 52.275 -12.424 -3.155 1.00 0.00 C ATOM 1213 NZ LYS A 81 53.423 -11.770 -2.469 1.00 0.00 N ATOM 0 H LYS A 81 47.083 -11.812 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 81 47.551 -13.657 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.928 -11.461 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.347 -11.520 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.508 -14.188 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.053 -13.375 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 81 51.166 -12.332 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.673 -13.948 -1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.645 -13.214 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.768 -11.696 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 54.077 -11.383 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 53.073 -11.000 -1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.922 -12.470 -1.884 1.00 0.00 H new ATOM 1227 N THR A 82 46.896 -12.682 0.139 1.00 0.00 N ATOM 1228 CA THR A 82 46.440 -12.154 1.418 1.00 0.00 C ATOM 1229 C THR A 82 47.476 -12.389 2.512 1.00 0.00 C ATOM 1230 O THR A 82 48.138 -13.426 2.540 1.00 0.00 O ATOM 1231 CB THR A 82 45.105 -12.792 1.846 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.695 -12.268 3.114 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.232 -14.305 1.935 1.00 0.00 C ATOM 0 H THR A 82 47.070 -13.687 0.136 1.00 0.00 H new ATOM 0 HA THR A 82 46.295 -11.082 1.283 1.00 0.00 H new ATOM 0 HB THR A 82 44.355 -12.549 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.845 -12.678 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.277 -14.733 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.515 -14.704 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.995 -14.564 2.669 1.00 0.00 H new