USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 CYS SG : rot 20:sc= -0.695 USER MOD Single : A 19 TYR OH : rot 180:sc= -3.61! USER MOD Single : A 21 SER OG : rot -12:sc= 1.93 USER MOD Single : A 22 SER OG : rot 180:sc= -1.38! USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= -0.286 (180deg=-2.02!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00498 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -0.11 (180deg=-0.727) USER MOD Single : A 38 SER OG : rot 14:sc= 0.541! USER MOD Single : A 45 MET CE :methyl 162:sc= -5.69! (180deg=-6.13!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.42) USER MOD Single : A 52 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.7!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -9.72! C(o=-9.7!,f=-19!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.029) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -7.67! C(o=-7.7!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.852 -28.883 -3.876 1.00 32.02 N ATOM 215 CA PHE A 15 -0.599 -28.959 -4.207 1.00 43.51 C ATOM 216 C PHE A 15 -1.260 -27.591 -4.004 1.00 54.14 C ATOM 217 O PHE A 15 -0.925 -26.861 -3.094 1.00 72.20 O ATOM 218 CB PHE A 15 -1.155 -29.991 -3.221 1.00 3.30 C ATOM 219 CG PHE A 15 -2.654 -29.839 -3.092 1.00 33.21 C ATOM 220 CD1 PHE A 15 -3.188 -28.779 -2.351 1.00 35.15 C ATOM 221 CD2 PHE A 15 -3.504 -30.762 -3.707 1.00 23.04 C ATOM 222 CE1 PHE A 15 -4.577 -28.642 -2.228 1.00 30.31 C ATOM 223 CE2 PHE A 15 -4.892 -30.626 -3.585 1.00 52.50 C ATOM 224 CZ PHE A 15 -5.429 -29.566 -2.846 1.00 33.10 C ATOM 0 HA PHE A 15 -0.785 -29.239 -5.244 1.00 43.51 H new ATOM 0 HB2 PHE A 15 -0.913 -30.997 -3.562 1.00 3.30 H new ATOM 0 HB3 PHE A 15 -0.684 -29.863 -2.246 1.00 3.30 H new ATOM 0 HD1 PHE A 15 -2.530 -28.067 -1.874 1.00 35.15 H new ATOM 0 HD2 PHE A 15 -3.090 -31.581 -4.277 1.00 23.04 H new ATOM 0 HE1 PHE A 15 -4.991 -27.824 -1.657 1.00 30.31 H new ATOM 0 HE2 PHE A 15 -5.548 -31.339 -4.061 1.00 52.50 H new ATOM 0 HZ PHE A 15 -6.500 -29.460 -2.752 1.00 33.10 H new ATOM 234 N CYS A 16 -2.197 -27.245 -4.843 1.00 63.15 N ATOM 235 CA CYS A 16 -2.878 -25.924 -4.698 1.00 31.13 C ATOM 236 C CYS A 16 -4.378 -26.072 -4.966 1.00 72.25 C ATOM 237 O CYS A 16 -4.814 -27.009 -5.602 1.00 2.13 O ATOM 238 CB CYS A 16 -2.229 -25.021 -5.748 1.00 22.42 C ATOM 239 SG CYS A 16 -0.688 -24.341 -5.087 1.00 1.43 S ATOM 0 H CYS A 16 -2.521 -27.818 -5.622 1.00 63.15 H new ATOM 0 HA CYS A 16 -2.774 -25.514 -3.693 1.00 31.13 H new ATOM 0 HB2 CYS A 16 -2.029 -25.588 -6.657 1.00 22.42 H new ATOM 0 HB3 CYS A 16 -2.909 -24.213 -6.019 1.00 22.42 H new ATOM 0 HG CYS A 16 -0.284 -25.071 -4.090 1.00 1.43 H new ATOM 245 N VAL A 17 -5.171 -25.153 -4.482 1.00 14.12 N ATOM 246 CA VAL A 17 -6.644 -25.247 -4.708 1.00 5.24 C ATOM 247 C VAL A 17 -7.146 -24.017 -5.468 1.00 23.41 C ATOM 248 O VAL A 17 -6.802 -22.894 -5.148 1.00 4.51 O ATOM 249 CB VAL A 17 -7.280 -25.294 -3.312 1.00 1.05 C ATOM 250 CG1 VAL A 17 -8.625 -26.015 -3.396 1.00 41.22 C ATOM 251 CG2 VAL A 17 -6.366 -26.044 -2.340 1.00 43.52 C ATOM 0 H VAL A 17 -4.864 -24.344 -3.942 1.00 14.12 H new ATOM 0 HA VAL A 17 -6.900 -26.125 -5.301 1.00 5.24 H new ATOM 0 HB VAL A 17 -7.424 -24.275 -2.952 1.00 1.05 H new ATOM 0 HG11 VAL A 17 -9.081 -26.051 -2.407 1.00 41.22 H new ATOM 0 HG12 VAL A 17 -9.283 -25.479 -4.080 1.00 41.22 H new ATOM 0 HG13 VAL A 17 -8.471 -27.030 -3.762 1.00 41.22 H new ATOM 0 HG21 VAL A 17 -6.828 -26.071 -1.353 1.00 43.52 H new ATOM 0 HG22 VAL A 17 -6.213 -27.063 -2.697 1.00 43.52 H new ATOM 0 HG23 VAL A 17 -5.405 -25.534 -2.277 1.00 43.52 H new ATOM 261 N ILE A 18 -7.963 -24.215 -6.463 1.00 42.11 N ATOM 262 CA ILE A 18 -8.497 -23.054 -7.234 1.00 74.01 C ATOM 263 C ILE A 18 -9.959 -22.797 -6.859 1.00 11.14 C ATOM 264 O ILE A 18 -10.839 -23.563 -7.196 1.00 3.12 O ATOM 265 CB ILE A 18 -8.389 -23.468 -8.702 1.00 41.04 C ATOM 266 CG1 ILE A 18 -6.926 -23.392 -9.147 1.00 50.34 C ATOM 267 CG2 ILE A 18 -9.231 -22.526 -9.562 1.00 35.23 C ATOM 268 CD1 ILE A 18 -6.398 -24.804 -9.402 1.00 63.13 C ATOM 0 H ILE A 18 -8.286 -25.130 -6.778 1.00 42.11 H new ATOM 0 HA ILE A 18 -7.948 -22.135 -7.027 1.00 74.01 H new ATOM 0 HB ILE A 18 -8.753 -24.489 -8.818 1.00 41.04 H new ATOM 0 HG12 ILE A 18 -6.841 -22.791 -10.052 1.00 50.34 H new ATOM 0 HG13 ILE A 18 -6.326 -22.901 -8.381 1.00 50.34 H new ATOM 0 HG21 ILE A 18 -9.154 -22.822 -10.608 1.00 35.23 H new ATOM 0 HG22 ILE A 18 -10.273 -22.579 -9.246 1.00 35.23 H new ATOM 0 HG23 ILE A 18 -8.868 -21.505 -9.446 1.00 35.23 H new ATOM 0 HD11 ILE A 18 -5.356 -24.751 -9.719 1.00 63.13 H new ATOM 0 HD12 ILE A 18 -6.469 -25.390 -8.486 1.00 63.13 H new ATOM 0 HD13 ILE A 18 -6.991 -25.279 -10.183 1.00 63.13 H new ATOM 280 N TYR A 19 -10.224 -21.727 -6.159 1.00 10.50 N ATOM 281 CA TYR A 19 -11.630 -21.425 -5.762 1.00 43.41 C ATOM 282 C TYR A 19 -12.313 -20.579 -6.837 1.00 21.40 C ATOM 283 O TYR A 19 -11.668 -19.891 -7.602 1.00 2.03 O ATOM 284 CB TYR A 19 -11.525 -20.623 -4.467 1.00 31.15 C ATOM 285 CG TYR A 19 -11.358 -21.564 -3.297 1.00 22.25 C ATOM 286 CD1 TYR A 19 -10.081 -22.014 -2.937 1.00 0.13 C ATOM 287 CD2 TYR A 19 -12.478 -21.986 -2.571 1.00 2.02 C ATOM 288 CE1 TYR A 19 -9.926 -22.884 -1.854 1.00 53.52 C ATOM 289 CE2 TYR A 19 -12.323 -22.858 -1.486 1.00 22.32 C ATOM 290 CZ TYR A 19 -11.046 -23.307 -1.127 1.00 70.03 C ATOM 291 OH TYR A 19 -10.893 -24.165 -0.057 1.00 5.33 O ATOM 0 H TYR A 19 -9.529 -21.050 -5.845 1.00 10.50 H new ATOM 0 HA TYR A 19 -12.216 -22.335 -5.636 1.00 43.41 H new ATOM 0 HB2 TYR A 19 -10.678 -19.939 -4.519 1.00 31.15 H new ATOM 0 HB3 TYR A 19 -12.419 -20.014 -4.332 1.00 31.15 H new ATOM 0 HD1 TYR A 19 -9.216 -21.689 -3.496 1.00 0.13 H new ATOM 0 HD2 TYR A 19 -13.463 -21.639 -2.848 1.00 2.02 H new ATOM 0 HE1 TYR A 19 -8.941 -23.231 -1.577 1.00 53.52 H new ATOM 0 HE2 TYR A 19 -13.188 -23.184 -0.927 1.00 22.32 H new ATOM 0 HH TYR A 19 -11.770 -24.357 0.336 1.00 5.33 H new ATOM 301 N ARG A 20 -13.615 -20.615 -6.890 1.00 21.04 N ATOM 302 CA ARG A 20 -14.341 -19.801 -7.902 1.00 4.05 C ATOM 303 C ARG A 20 -15.324 -18.859 -7.197 1.00 52.31 C ATOM 304 O ARG A 20 -15.946 -19.215 -6.216 1.00 20.00 O ATOM 305 CB ARG A 20 -15.080 -20.814 -8.780 1.00 64.43 C ATOM 306 CG ARG A 20 -16.226 -21.448 -7.988 1.00 42.14 C ATOM 307 CD ARG A 20 -17.562 -21.003 -8.587 1.00 14.41 C ATOM 308 NE ARG A 20 -18.547 -22.026 -8.135 1.00 32.22 N ATOM 309 CZ ARG A 20 -19.726 -22.085 -8.691 1.00 55.21 C ATOM 310 NH1 ARG A 20 -19.832 -22.319 -9.971 1.00 4.14 N ATOM 311 NH2 ARG A 20 -20.798 -21.911 -7.969 1.00 35.32 N ATOM 0 H ARG A 20 -14.207 -21.173 -6.276 1.00 21.04 H new ATOM 0 HA ARG A 20 -13.674 -19.177 -8.496 1.00 4.05 H new ATOM 0 HB2 ARG A 20 -15.470 -20.321 -9.670 1.00 64.43 H new ATOM 0 HB3 ARG A 20 -14.390 -21.586 -9.120 1.00 64.43 H new ATOM 0 HG2 ARG A 20 -16.146 -22.535 -8.017 1.00 42.14 H new ATOM 0 HG3 ARG A 20 -16.167 -21.152 -6.941 1.00 42.14 H new ATOM 0 HD2 ARG A 20 -17.839 -20.008 -8.239 1.00 14.41 H new ATOM 0 HD3 ARG A 20 -17.511 -20.958 -9.675 1.00 14.41 H new ATOM 0 HE ARG A 20 -18.300 -22.679 -7.392 1.00 32.22 H new ATOM 0 HH11 ARG A 20 -18.994 -22.456 -10.536 1.00 4.14 H new ATOM 0 HH12 ARG A 20 -20.753 -22.365 -10.406 1.00 4.14 H new ATOM 0 HH21 ARG A 20 -20.715 -21.729 -6.969 1.00 35.32 H new ATOM 0 HH22 ARG A 20 -21.719 -21.957 -8.404 1.00 35.32 H new ATOM 325 N SER A 21 -15.459 -17.659 -7.680 1.00 11.40 N ATOM 326 CA SER A 21 -16.393 -16.699 -7.025 1.00 3.11 C ATOM 327 C SER A 21 -17.843 -17.160 -7.203 1.00 60.50 C ATOM 328 O SER A 21 -18.238 -17.601 -8.265 1.00 4.34 O ATOM 329 CB SER A 21 -16.160 -15.367 -7.734 1.00 23.32 C ATOM 330 OG SER A 21 -15.020 -14.729 -7.174 1.00 60.40 O ATOM 0 H SER A 21 -14.966 -17.299 -8.497 1.00 11.40 H new ATOM 0 HA SER A 21 -16.217 -16.623 -5.952 1.00 3.11 H new ATOM 0 HB2 SER A 21 -16.011 -15.531 -8.801 1.00 23.32 H new ATOM 0 HB3 SER A 21 -17.037 -14.728 -7.629 1.00 23.32 H new ATOM 0 HG SER A 21 -14.767 -15.182 -6.343 1.00 60.40 H new ATOM 336 N SER A 22 -18.636 -17.068 -6.170 1.00 12.23 N ATOM 337 CA SER A 22 -20.057 -17.504 -6.275 1.00 13.33 C ATOM 338 C SER A 22 -20.710 -16.908 -7.526 1.00 74.04 C ATOM 339 O SER A 22 -21.434 -17.576 -8.236 1.00 71.40 O ATOM 340 CB SER A 22 -20.729 -16.969 -5.010 1.00 32.40 C ATOM 341 OG SER A 22 -22.139 -17.067 -5.150 1.00 32.50 O ATOM 0 H SER A 22 -18.360 -16.709 -5.256 1.00 12.23 H new ATOM 0 HA SER A 22 -20.149 -18.587 -6.360 1.00 13.33 H new ATOM 0 HB2 SER A 22 -20.398 -17.537 -4.141 1.00 32.40 H new ATOM 0 HB3 SER A 22 -20.440 -15.932 -4.842 1.00 32.40 H new ATOM 0 HG SER A 22 -22.573 -16.726 -4.340 1.00 32.50 H new ATOM 347 N LYS A 23 -20.458 -15.658 -7.806 1.00 1.12 N ATOM 348 CA LYS A 23 -21.067 -15.033 -9.016 1.00 31.05 C ATOM 349 C LYS A 23 -20.102 -14.009 -9.630 1.00 64.31 C ATOM 350 O LYS A 23 -20.063 -12.858 -9.241 1.00 73.51 O ATOM 351 CB LYS A 23 -22.340 -14.349 -8.512 1.00 31.00 C ATOM 352 CG LYS A 23 -21.976 -13.179 -7.597 1.00 54.40 C ATOM 353 CD LYS A 23 -22.832 -13.228 -6.333 1.00 23.04 C ATOM 354 CE LYS A 23 -22.116 -14.058 -5.265 1.00 75.41 C ATOM 355 NZ LYS A 23 -20.867 -13.306 -4.966 1.00 24.15 N ATOM 0 H LYS A 23 -19.860 -15.045 -7.253 1.00 1.12 H new ATOM 0 HA LYS A 23 -21.283 -15.764 -9.795 1.00 31.05 H new ATOM 0 HB2 LYS A 23 -22.930 -13.992 -9.356 1.00 31.00 H new ATOM 0 HB3 LYS A 23 -22.959 -15.066 -7.972 1.00 31.00 H new ATOM 0 HG2 LYS A 23 -20.919 -13.226 -7.334 1.00 54.40 H new ATOM 0 HG3 LYS A 23 -22.134 -12.235 -8.118 1.00 54.40 H new ATOM 0 HD2 LYS A 23 -23.013 -12.218 -5.964 1.00 23.04 H new ATOM 0 HD3 LYS A 23 -23.805 -13.665 -6.557 1.00 23.04 H new ATOM 0 HE2 LYS A 23 -22.732 -14.170 -4.373 1.00 75.41 H new ATOM 0 HE3 LYS A 23 -21.895 -15.062 -5.628 1.00 75.41 H new ATOM 0 HZ1 LYS A 23 -20.682 -13.333 -3.943 1.00 24.15 H new ATOM 0 HZ2 LYS A 23 -20.070 -13.741 -5.474 1.00 24.15 H new ATOM 0 HZ3 LYS A 23 -20.975 -12.318 -5.272 1.00 24.15 H new ATOM 369 N ARG A 24 -19.328 -14.419 -10.597 1.00 12.13 N ATOM 370 CA ARG A 24 -18.373 -13.472 -11.239 1.00 32.03 C ATOM 371 C ARG A 24 -18.028 -13.951 -12.650 1.00 12.03 C ATOM 372 O ARG A 24 -18.417 -15.025 -13.062 1.00 20.41 O ATOM 373 CB ARG A 24 -17.128 -13.497 -10.348 1.00 23.14 C ATOM 374 CG ARG A 24 -17.312 -12.532 -9.173 1.00 13.50 C ATOM 375 CD ARG A 24 -17.692 -11.145 -9.700 1.00 12.11 C ATOM 376 NE ARG A 24 -17.433 -10.216 -8.567 1.00 52.23 N ATOM 377 CZ ARG A 24 -17.973 -9.031 -8.560 1.00 71.43 C ATOM 378 NH1 ARG A 24 -19.212 -8.882 -8.180 1.00 63.33 N ATOM 379 NH2 ARG A 24 -17.277 -7.994 -8.938 1.00 44.05 N ATOM 0 H ARG A 24 -19.315 -15.368 -10.970 1.00 12.13 H new ATOM 0 HA ARG A 24 -18.787 -12.468 -11.333 1.00 32.03 H new ATOM 0 HB2 ARG A 24 -16.955 -14.507 -9.977 1.00 23.14 H new ATOM 0 HB3 ARG A 24 -16.249 -13.215 -10.928 1.00 23.14 H new ATOM 0 HG2 ARG A 24 -18.088 -12.903 -8.503 1.00 13.50 H new ATOM 0 HG3 ARG A 24 -16.392 -12.471 -8.592 1.00 13.50 H new ATOM 0 HD2 ARG A 24 -17.096 -10.878 -10.573 1.00 12.11 H new ATOM 0 HD3 ARG A 24 -18.738 -11.112 -10.006 1.00 12.11 H new ATOM 0 HE ARG A 24 -16.832 -10.507 -7.796 1.00 52.23 H new ATOM 0 HH11 ARG A 24 -19.757 -9.693 -7.889 1.00 63.33 H new ATOM 0 HH12 ARG A 24 -19.636 -7.954 -8.174 1.00 63.33 H new ATOM 0 HH21 ARG A 24 -16.310 -8.111 -9.239 1.00 44.05 H new ATOM 0 HH22 ARG A 24 -17.700 -7.066 -8.932 1.00 44.05 H new ATOM 393 N ASP A 25 -17.301 -13.165 -13.394 1.00 5.42 N ATOM 394 CA ASP A 25 -16.935 -13.581 -14.777 1.00 14.12 C ATOM 395 C ASP A 25 -15.925 -14.727 -14.731 1.00 70.15 C ATOM 396 O ASP A 25 -16.191 -15.823 -15.183 1.00 24.30 O ATOM 397 CB ASP A 25 -16.310 -12.339 -15.413 1.00 72.03 C ATOM 398 CG ASP A 25 -16.619 -12.324 -16.911 1.00 54.20 C ATOM 399 OD1 ASP A 25 -17.649 -12.857 -17.289 1.00 71.04 O ATOM 400 OD2 ASP A 25 -15.820 -11.781 -17.654 1.00 14.14 O ATOM 0 H ASP A 25 -16.945 -12.254 -13.105 1.00 5.42 H new ATOM 0 HA ASP A 25 -17.795 -13.938 -15.343 1.00 14.12 H new ATOM 0 HB2 ASP A 25 -16.703 -11.439 -14.941 1.00 72.03 H new ATOM 0 HB3 ASP A 25 -15.232 -12.339 -15.253 1.00 72.03 H new ATOM 405 N GLN A 26 -14.766 -14.481 -14.187 1.00 23.15 N ATOM 406 CA GLN A 26 -13.735 -15.556 -14.108 1.00 32.41 C ATOM 407 C GLN A 26 -12.797 -15.303 -12.925 1.00 33.32 C ATOM 408 O GLN A 26 -11.597 -15.464 -13.027 1.00 3.31 O ATOM 409 CB GLN A 26 -12.970 -15.470 -15.428 1.00 11.14 C ATOM 410 CG GLN A 26 -12.881 -16.862 -16.060 1.00 34.43 C ATOM 411 CD GLN A 26 -12.978 -16.737 -17.582 1.00 61.24 C ATOM 412 OE1 GLN A 26 -11.995 -16.888 -18.279 1.00 13.52 O ATOM 413 NE2 GLN A 26 -14.132 -16.466 -18.129 1.00 64.32 N ATOM 0 H GLN A 26 -14.487 -13.582 -13.793 1.00 23.15 H new ATOM 0 HA GLN A 26 -14.176 -16.541 -13.957 1.00 32.41 H new ATOM 0 HB2 GLN A 26 -13.473 -14.782 -16.108 1.00 11.14 H new ATOM 0 HB3 GLN A 26 -11.970 -15.073 -15.255 1.00 11.14 H new ATOM 0 HG2 GLN A 26 -11.941 -17.340 -15.783 1.00 34.43 H new ATOM 0 HG3 GLN A 26 -13.684 -17.496 -15.684 1.00 34.43 H new ATOM 0 HE21 GLN A 26 -14.957 -16.339 -17.543 1.00 64.32 H new ATOM 0 HE22 GLN A 26 -14.209 -16.381 -19.143 1.00 64.32 H new ATOM 422 N THR A 27 -13.335 -14.906 -11.803 1.00 34.13 N ATOM 423 CA THR A 27 -12.472 -14.642 -10.614 1.00 53.02 C ATOM 424 C THR A 27 -12.207 -15.943 -9.858 1.00 10.50 C ATOM 425 O THR A 27 -13.116 -16.684 -9.540 1.00 24.40 O ATOM 426 CB THR A 27 -13.275 -13.673 -9.746 1.00 50.04 C ATOM 427 OG1 THR A 27 -13.556 -12.494 -10.488 1.00 41.43 O ATOM 428 CG2 THR A 27 -12.466 -13.315 -8.499 1.00 73.14 C ATOM 0 H THR A 27 -14.333 -14.753 -11.658 1.00 34.13 H new ATOM 0 HA THR A 27 -11.502 -14.230 -10.892 1.00 53.02 H new ATOM 0 HB THR A 27 -14.212 -14.143 -9.446 1.00 50.04 H new ATOM 0 HG1 THR A 27 -14.072 -11.873 -9.933 1.00 41.43 H new ATOM 0 HG21 THR A 27 -13.038 -12.624 -7.880 1.00 73.14 H new ATOM 0 HG22 THR A 27 -12.253 -14.221 -7.931 1.00 73.14 H new ATOM 0 HG23 THR A 27 -11.529 -12.845 -8.796 1.00 73.14 H new ATOM 436 N TYR A 28 -10.967 -16.231 -9.567 1.00 15.41 N ATOM 437 CA TYR A 28 -10.653 -17.491 -8.831 1.00 12.42 C ATOM 438 C TYR A 28 -9.530 -17.259 -7.819 1.00 75.30 C ATOM 439 O TYR A 28 -8.596 -16.520 -8.066 1.00 35.03 O ATOM 440 CB TYR A 28 -10.202 -18.479 -9.909 1.00 3.32 C ATOM 441 CG TYR A 28 -11.407 -18.983 -10.668 1.00 40.40 C ATOM 442 CD1 TYR A 28 -12.025 -18.167 -11.622 1.00 33.40 C ATOM 443 CD2 TYR A 28 -11.904 -20.268 -10.419 1.00 73.23 C ATOM 444 CE1 TYR A 28 -13.141 -18.636 -12.327 1.00 41.22 C ATOM 445 CE2 TYR A 28 -13.020 -20.738 -11.125 1.00 43.05 C ATOM 446 CZ TYR A 28 -13.638 -19.920 -12.078 1.00 53.41 C ATOM 447 OH TYR A 28 -14.738 -20.381 -12.774 1.00 40.43 O ATOM 0 H TYR A 28 -10.161 -15.652 -9.805 1.00 15.41 H new ATOM 0 HA TYR A 28 -11.512 -17.858 -8.269 1.00 12.42 H new ATOM 0 HB2 TYR A 28 -9.505 -17.994 -10.593 1.00 3.32 H new ATOM 0 HB3 TYR A 28 -9.671 -19.314 -9.452 1.00 3.32 H new ATOM 0 HD1 TYR A 28 -11.642 -17.176 -11.815 1.00 33.40 H new ATOM 0 HD2 TYR A 28 -11.427 -20.898 -9.682 1.00 73.23 H new ATOM 0 HE1 TYR A 28 -13.618 -18.006 -13.063 1.00 41.22 H new ATOM 0 HE2 TYR A 28 -13.402 -21.730 -10.934 1.00 43.05 H new ATOM 0 HH TYR A 28 -14.952 -21.291 -12.481 1.00 40.43 H new ATOM 457 N LEU A 29 -9.606 -17.894 -6.682 1.00 35.10 N ATOM 458 CA LEU A 29 -8.541 -17.723 -5.652 1.00 73.13 C ATOM 459 C LEU A 29 -7.640 -18.961 -5.625 1.00 60.03 C ATOM 460 O LEU A 29 -8.063 -20.051 -5.958 1.00 73.23 O ATOM 461 CB LEU A 29 -9.288 -17.584 -4.327 1.00 52.52 C ATOM 462 CG LEU A 29 -9.131 -16.160 -3.789 1.00 24.23 C ATOM 463 CD1 LEU A 29 -9.845 -16.050 -2.442 1.00 65.52 C ATOM 464 CD2 LEU A 29 -7.646 -15.839 -3.601 1.00 11.13 C ATOM 0 H LEU A 29 -10.362 -18.526 -6.420 1.00 35.10 H new ATOM 0 HA LEU A 29 -7.904 -16.861 -5.853 1.00 73.13 H new ATOM 0 HB2 LEU A 29 -10.344 -17.814 -4.469 1.00 52.52 H new ATOM 0 HB3 LEU A 29 -8.900 -18.301 -3.603 1.00 52.52 H new ATOM 0 HG LEU A 29 -9.566 -15.455 -4.498 1.00 24.23 H new ATOM 0 HD11 LEU A 29 -9.736 -15.037 -2.054 1.00 65.52 H new ATOM 0 HD12 LEU A 29 -10.903 -16.277 -2.571 1.00 65.52 H new ATOM 0 HD13 LEU A 29 -9.406 -16.757 -1.738 1.00 65.52 H new ATOM 0 HD21 LEU A 29 -7.539 -14.824 -3.218 1.00 11.13 H new ATOM 0 HD22 LEU A 29 -7.209 -16.542 -2.893 1.00 11.13 H new ATOM 0 HD23 LEU A 29 -7.132 -15.921 -4.559 1.00 11.13 H new ATOM 476 N TYR A 30 -6.408 -18.808 -5.230 1.00 63.43 N ATOM 477 CA TYR A 30 -5.494 -19.985 -5.181 1.00 1.04 C ATOM 478 C TYR A 30 -4.862 -20.104 -3.794 1.00 63.31 C ATOM 479 O TYR A 30 -4.447 -19.127 -3.200 1.00 73.32 O ATOM 480 CB TYR A 30 -4.428 -19.705 -6.238 1.00 64.34 C ATOM 481 CG TYR A 30 -5.033 -19.857 -7.610 1.00 30.42 C ATOM 482 CD1 TYR A 30 -5.959 -18.913 -8.070 1.00 20.34 C ATOM 483 CD2 TYR A 30 -4.673 -20.939 -8.423 1.00 13.13 C ATOM 484 CE1 TYR A 30 -6.524 -19.051 -9.342 1.00 74.51 C ATOM 485 CE2 TYR A 30 -5.239 -21.078 -9.695 1.00 5.42 C ATOM 486 CZ TYR A 30 -6.165 -20.133 -10.155 1.00 23.10 C ATOM 487 OH TYR A 30 -6.725 -20.268 -11.409 1.00 64.01 O ATOM 0 H TYR A 30 -5.994 -17.922 -4.939 1.00 63.43 H new ATOM 0 HA TYR A 30 -6.016 -20.923 -5.372 1.00 1.04 H new ATOM 0 HB2 TYR A 30 -4.031 -18.697 -6.113 1.00 64.34 H new ATOM 0 HB3 TYR A 30 -3.592 -20.394 -6.119 1.00 64.34 H new ATOM 0 HD1 TYR A 30 -6.237 -18.079 -7.443 1.00 20.34 H new ATOM 0 HD2 TYR A 30 -3.958 -21.667 -8.068 1.00 13.13 H new ATOM 0 HE1 TYR A 30 -7.238 -18.322 -9.697 1.00 74.51 H new ATOM 0 HE2 TYR A 30 -4.962 -21.913 -10.322 1.00 5.42 H new ATOM 0 HH TYR A 30 -6.368 -21.071 -11.842 1.00 64.01 H new ATOM 497 N VAL A 31 -4.785 -21.297 -3.273 1.00 4.21 N ATOM 498 CA VAL A 31 -4.183 -21.494 -1.924 1.00 75.40 C ATOM 499 C VAL A 31 -3.453 -22.833 -1.862 1.00 73.41 C ATOM 500 O VAL A 31 -3.780 -23.763 -2.569 1.00 63.50 O ATOM 501 CB VAL A 31 -5.351 -21.485 -0.925 1.00 42.03 C ATOM 502 CG1 VAL A 31 -5.599 -20.055 -0.453 1.00 74.10 C ATOM 503 CG2 VAL A 31 -6.623 -22.030 -1.587 1.00 3.41 C ATOM 0 H VAL A 31 -5.115 -22.149 -3.726 1.00 4.21 H new ATOM 0 HA VAL A 31 -3.458 -20.712 -1.697 1.00 75.40 H new ATOM 0 HB VAL A 31 -5.096 -22.119 -0.075 1.00 42.03 H new ATOM 0 HG11 VAL A 31 -6.427 -20.044 0.256 1.00 74.10 H new ATOM 0 HG12 VAL A 31 -4.701 -19.671 0.032 1.00 74.10 H new ATOM 0 HG13 VAL A 31 -5.846 -19.427 -1.309 1.00 74.10 H new ATOM 0 HG21 VAL A 31 -7.442 -22.018 -0.867 1.00 3.41 H new ATOM 0 HG22 VAL A 31 -6.883 -21.407 -2.443 1.00 3.41 H new ATOM 0 HG23 VAL A 31 -6.449 -23.053 -1.921 1.00 3.41 H new ATOM 513 N GLU A 32 -2.471 -22.937 -1.014 1.00 51.33 N ATOM 514 CA GLU A 32 -1.727 -24.225 -0.905 1.00 25.42 C ATOM 515 C GLU A 32 -2.673 -25.318 -0.406 1.00 2.13 C ATOM 516 O GLU A 32 -2.366 -26.491 -0.456 1.00 12.30 O ATOM 517 CB GLU A 32 -0.620 -23.961 0.115 1.00 4.13 C ATOM 518 CG GLU A 32 -1.242 -23.622 1.472 1.00 74.04 C ATOM 519 CD GLU A 32 -0.321 -24.111 2.590 1.00 63.24 C ATOM 520 OE1 GLU A 32 -0.104 -25.309 2.672 1.00 41.43 O ATOM 521 OE2 GLU A 32 0.151 -23.277 3.347 1.00 54.05 O ATOM 0 H GLU A 32 -2.151 -22.193 -0.394 1.00 51.33 H new ATOM 0 HA GLU A 32 -1.319 -24.558 -1.859 1.00 25.42 H new ATOM 0 HB2 GLU A 32 0.021 -24.838 0.206 1.00 4.13 H new ATOM 0 HB3 GLU A 32 0.011 -23.139 -0.223 1.00 4.13 H new ATOM 0 HG2 GLU A 32 -1.394 -22.546 1.556 1.00 74.04 H new ATOM 0 HG3 GLU A 32 -2.222 -24.090 1.562 1.00 74.04 H new ATOM 528 N LYS A 33 -3.826 -24.934 0.071 1.00 22.31 N ATOM 529 CA LYS A 33 -4.807 -25.938 0.572 1.00 74.33 C ATOM 530 C LYS A 33 -6.203 -25.314 0.632 1.00 11.41 C ATOM 531 O LYS A 33 -6.352 -24.110 0.715 1.00 62.03 O ATOM 532 CB LYS A 33 -4.318 -26.308 1.973 1.00 75.15 C ATOM 533 CG LYS A 33 -4.587 -25.146 2.933 1.00 43.23 C ATOM 534 CD LYS A 33 -3.335 -24.875 3.771 1.00 21.14 C ATOM 535 CE LYS A 33 -3.726 -24.743 5.246 1.00 0.14 C ATOM 536 NZ LYS A 33 -2.433 -24.640 5.980 1.00 35.23 N ATOM 0 H LYS A 33 -4.132 -23.963 0.135 1.00 22.31 H new ATOM 0 HA LYS A 33 -4.876 -26.813 -0.074 1.00 74.33 H new ATOM 0 HB2 LYS A 33 -4.827 -27.207 2.322 1.00 75.15 H new ATOM 0 HB3 LYS A 33 -3.252 -26.534 1.949 1.00 75.15 H new ATOM 0 HG2 LYS A 33 -4.862 -24.253 2.372 1.00 43.23 H new ATOM 0 HG3 LYS A 33 -5.428 -25.385 3.584 1.00 43.23 H new ATOM 0 HD2 LYS A 33 -2.618 -25.686 3.645 1.00 21.14 H new ATOM 0 HD3 LYS A 33 -2.847 -23.962 3.430 1.00 21.14 H new ATOM 0 HE2 LYS A 33 -4.346 -23.862 5.413 1.00 0.14 H new ATOM 0 HE3 LYS A 33 -4.302 -25.606 5.580 1.00 0.14 H new ATOM 0 HZ1 LYS A 33 -2.619 -24.547 6.999 1.00 35.23 H new ATOM 0 HZ2 LYS A 33 -1.867 -25.495 5.808 1.00 35.23 H new ATOM 0 HZ3 LYS A 33 -1.910 -23.806 5.646 1.00 35.23 H new ATOM 550 N LYS A 34 -7.227 -26.119 0.588 1.00 42.01 N ATOM 551 CA LYS A 34 -8.613 -25.567 0.641 1.00 30.33 C ATOM 552 C LYS A 34 -9.030 -25.331 2.094 1.00 52.52 C ATOM 553 O LYS A 34 -9.983 -25.910 2.577 1.00 32.22 O ATOM 554 CB LYS A 34 -9.497 -26.636 -0.005 1.00 64.23 C ATOM 555 CG LYS A 34 -9.567 -27.864 0.904 1.00 50.42 C ATOM 556 CD LYS A 34 -9.434 -29.133 0.055 1.00 12.52 C ATOM 557 CE LYS A 34 -8.012 -29.683 0.177 1.00 12.25 C ATOM 558 NZ LYS A 34 -7.921 -30.206 1.570 1.00 11.32 N ATOM 0 H LYS A 34 -7.166 -27.135 0.518 1.00 42.01 H new ATOM 0 HA LYS A 34 -8.695 -24.610 0.126 1.00 30.33 H new ATOM 0 HB2 LYS A 34 -10.498 -26.240 -0.175 1.00 64.23 H new ATOM 0 HB3 LYS A 34 -9.095 -26.915 -0.979 1.00 64.23 H new ATOM 0 HG2 LYS A 34 -8.771 -27.826 1.648 1.00 50.42 H new ATOM 0 HG3 LYS A 34 -10.511 -27.874 1.448 1.00 50.42 H new ATOM 0 HD2 LYS A 34 -10.154 -29.881 0.386 1.00 12.52 H new ATOM 0 HD3 LYS A 34 -9.661 -28.911 -0.988 1.00 12.52 H new ATOM 0 HE2 LYS A 34 -7.829 -30.471 -0.554 1.00 12.25 H new ATOM 0 HE3 LYS A 34 -7.271 -28.904 -0.002 1.00 12.25 H new ATOM 0 HZ1 LYS A 34 -7.333 -31.064 1.581 1.00 11.32 H new ATOM 0 HZ2 LYS A 34 -7.492 -29.485 2.184 1.00 11.32 H new ATOM 0 HZ3 LYS A 34 -8.874 -30.435 1.918 1.00 11.32 H new ATOM 572 N ASP A 35 -8.323 -24.487 2.800 1.00 51.31 N ATOM 573 CA ASP A 35 -8.688 -24.231 4.223 1.00 44.12 C ATOM 574 C ASP A 35 -9.477 -22.926 4.355 1.00 72.30 C ATOM 575 O ASP A 35 -10.664 -22.932 4.616 1.00 44.15 O ATOM 576 CB ASP A 35 -7.355 -24.129 4.962 1.00 13.30 C ATOM 577 CG ASP A 35 -7.133 -25.398 5.790 1.00 12.12 C ATOM 578 OD1 ASP A 35 -7.291 -26.474 5.239 1.00 70.32 O ATOM 579 OD2 ASP A 35 -6.810 -25.270 6.959 1.00 60.24 O ATOM 0 H ASP A 35 -7.515 -23.968 2.455 1.00 51.31 H new ATOM 0 HA ASP A 35 -9.323 -25.019 4.628 1.00 44.12 H new ATOM 0 HB2 ASP A 35 -6.541 -24.000 4.249 1.00 13.30 H new ATOM 0 HB3 ASP A 35 -7.353 -23.253 5.611 1.00 13.30 H new ATOM 584 N ASP A 36 -8.827 -21.805 4.189 1.00 53.41 N ATOM 585 CA ASP A 36 -9.542 -20.505 4.316 1.00 22.23 C ATOM 586 C ASP A 36 -8.685 -19.363 3.772 1.00 73.23 C ATOM 587 O ASP A 36 -7.530 -19.540 3.438 1.00 53.05 O ATOM 588 CB ASP A 36 -9.782 -20.317 5.812 1.00 2.04 C ATOM 589 CG ASP A 36 -11.222 -20.705 6.152 1.00 2.20 C ATOM 590 OD1 ASP A 36 -12.124 -20.077 5.624 1.00 62.02 O ATOM 591 OD2 ASP A 36 -11.398 -21.624 6.935 1.00 20.40 O ATOM 0 H ASP A 36 -7.833 -21.735 3.971 1.00 53.41 H new ATOM 0 HA ASP A 36 -10.473 -20.502 3.749 1.00 22.23 H new ATOM 0 HB2 ASP A 36 -9.085 -20.930 6.383 1.00 2.04 H new ATOM 0 HB3 ASP A 36 -9.598 -19.280 6.093 1.00 2.04 H new ATOM 596 N PHE A 37 -9.242 -18.190 3.700 1.00 21.15 N ATOM 597 CA PHE A 37 -8.474 -17.018 3.195 1.00 64.05 C ATOM 598 C PHE A 37 -8.448 -15.924 4.266 1.00 10.40 C ATOM 599 O PHE A 37 -9.411 -15.209 4.463 1.00 20.05 O ATOM 600 CB PHE A 37 -9.253 -16.540 1.971 1.00 31.11 C ATOM 601 CG PHE A 37 -8.973 -17.453 0.804 1.00 54.42 C ATOM 602 CD1 PHE A 37 -9.695 -18.643 0.657 1.00 44.04 C ATOM 603 CD2 PHE A 37 -7.993 -17.109 -0.135 1.00 52.10 C ATOM 604 CE1 PHE A 37 -9.439 -19.489 -0.428 1.00 25.25 C ATOM 605 CE2 PHE A 37 -7.737 -17.954 -1.221 1.00 32.14 C ATOM 606 CZ PHE A 37 -8.459 -19.146 -1.367 1.00 32.23 C ATOM 0 H PHE A 37 -10.205 -17.989 3.971 1.00 21.15 H new ATOM 0 HA PHE A 37 -7.440 -17.264 2.952 1.00 64.05 H new ATOM 0 HB2 PHE A 37 -10.321 -16.529 2.189 1.00 31.11 H new ATOM 0 HB3 PHE A 37 -8.968 -15.518 1.722 1.00 31.11 H new ATOM 0 HD1 PHE A 37 -10.450 -18.909 1.382 1.00 44.04 H new ATOM 0 HD2 PHE A 37 -7.435 -16.192 -0.021 1.00 52.10 H new ATOM 0 HE1 PHE A 37 -9.997 -20.406 -0.541 1.00 25.25 H new ATOM 0 HE2 PHE A 37 -6.983 -17.687 -1.947 1.00 32.14 H new ATOM 0 HZ PHE A 37 -8.260 -19.800 -2.203 1.00 32.23 H new ATOM 616 N SER A 38 -7.355 -15.796 4.969 1.00 2.42 N ATOM 617 CA SER A 38 -7.270 -14.762 6.039 1.00 14.33 C ATOM 618 C SER A 38 -6.289 -13.654 5.642 1.00 72.41 C ATOM 619 O SER A 38 -6.158 -12.660 6.329 1.00 3.13 O ATOM 620 CB SER A 38 -6.762 -15.511 7.269 1.00 20.04 C ATOM 621 OG SER A 38 -6.090 -14.601 8.128 1.00 31.43 O ATOM 0 H SER A 38 -6.516 -16.364 4.848 1.00 2.42 H new ATOM 0 HA SER A 38 -8.230 -14.279 6.219 1.00 14.33 H new ATOM 0 HB2 SER A 38 -7.595 -15.978 7.795 1.00 20.04 H new ATOM 0 HB3 SER A 38 -6.086 -16.312 6.968 1.00 20.04 H new ATOM 0 HG SER A 38 -6.292 -13.682 7.854 1.00 31.43 H new ATOM 627 N ARG A 39 -5.600 -13.814 4.548 1.00 45.41 N ATOM 628 CA ARG A 39 -4.632 -12.760 4.129 1.00 5.41 C ATOM 629 C ARG A 39 -5.287 -11.813 3.125 1.00 23.24 C ATOM 630 O ARG A 39 -4.874 -10.681 2.965 1.00 75.52 O ATOM 631 CB ARG A 39 -3.472 -13.510 3.474 1.00 74.24 C ATOM 632 CG ARG A 39 -2.270 -12.575 3.344 1.00 22.12 C ATOM 633 CD ARG A 39 -1.912 -12.005 4.718 1.00 12.13 C ATOM 634 NE ARG A 39 -0.424 -12.013 4.759 1.00 33.03 N ATOM 635 CZ ARG A 39 0.204 -12.967 5.393 1.00 44.23 C ATOM 636 NH1 ARG A 39 0.198 -14.182 4.916 1.00 63.24 N ATOM 637 NH2 ARG A 39 0.841 -12.706 6.503 1.00 2.04 N ATOM 0 H ARG A 39 -5.663 -14.622 3.929 1.00 45.41 H new ATOM 0 HA ARG A 39 -4.298 -12.155 4.972 1.00 5.41 H new ATOM 0 HB2 ARG A 39 -3.205 -14.382 4.071 1.00 74.24 H new ATOM 0 HB3 ARG A 39 -3.770 -13.876 2.491 1.00 74.24 H new ATOM 0 HG2 ARG A 39 -1.419 -13.116 2.931 1.00 22.12 H new ATOM 0 HG3 ARG A 39 -2.500 -11.765 2.652 1.00 22.12 H new ATOM 0 HD2 ARG A 39 -2.305 -10.996 4.842 1.00 12.13 H new ATOM 0 HD3 ARG A 39 -2.333 -12.612 5.520 1.00 12.13 H new ATOM 0 HE ARG A 39 0.104 -11.275 4.293 1.00 33.03 H new ATOM 0 HH11 ARG A 39 -0.297 -14.387 4.048 1.00 63.24 H new ATOM 0 HH12 ARG A 39 0.688 -14.927 5.411 1.00 63.24 H new ATOM 0 HH21 ARG A 39 0.848 -11.757 6.876 1.00 2.04 H new ATOM 0 HH22 ARG A 39 1.331 -13.452 6.997 1.00 2.04 H new ATOM 651 N VAL A 40 -6.311 -12.261 2.452 1.00 43.05 N ATOM 652 CA VAL A 40 -6.990 -11.380 1.467 1.00 0.43 C ATOM 653 C VAL A 40 -7.648 -10.204 2.195 1.00 1.14 C ATOM 654 O VAL A 40 -8.326 -10.389 3.184 1.00 23.13 O ATOM 655 CB VAL A 40 -8.046 -12.264 0.806 1.00 51.22 C ATOM 656 CG1 VAL A 40 -9.096 -12.662 1.844 1.00 74.42 C ATOM 657 CG2 VAL A 40 -8.720 -11.490 -0.331 1.00 73.31 C ATOM 0 H VAL A 40 -6.705 -13.198 2.543 1.00 43.05 H new ATOM 0 HA VAL A 40 -6.301 -10.961 0.734 1.00 0.43 H new ATOM 0 HB VAL A 40 -7.572 -13.160 0.404 1.00 51.22 H new ATOM 0 HG11 VAL A 40 -9.851 -13.293 1.375 1.00 74.42 H new ATOM 0 HG12 VAL A 40 -8.617 -13.211 2.654 1.00 74.42 H new ATOM 0 HG13 VAL A 40 -9.570 -11.766 2.244 1.00 74.42 H new ATOM 0 HG21 VAL A 40 -9.474 -12.120 -0.803 1.00 73.31 H new ATOM 0 HG22 VAL A 40 -9.195 -10.595 0.070 1.00 73.31 H new ATOM 0 HG23 VAL A 40 -7.972 -11.204 -1.070 1.00 73.31 H new ATOM 667 N PRO A 41 -7.418 -9.029 1.676 1.00 31.42 N ATOM 668 CA PRO A 41 -7.989 -7.800 2.283 1.00 42.05 C ATOM 669 C PRO A 41 -9.501 -7.739 2.068 1.00 12.33 C ATOM 670 O PRO A 41 -10.010 -8.164 1.049 1.00 73.30 O ATOM 671 CB PRO A 41 -7.295 -6.674 1.520 1.00 31.50 C ATOM 672 CG PRO A 41 -6.900 -7.286 0.215 1.00 44.30 C ATOM 673 CD PRO A 41 -6.615 -8.738 0.489 1.00 21.14 C ATOM 0 HA PRO A 41 -7.835 -7.748 3.361 1.00 42.05 H new ATOM 0 HB2 PRO A 41 -7.963 -5.825 1.373 1.00 31.50 H new ATOM 0 HB3 PRO A 41 -6.425 -6.305 2.064 1.00 31.50 H new ATOM 0 HG2 PRO A 41 -7.698 -7.180 -0.520 1.00 44.30 H new ATOM 0 HG3 PRO A 41 -6.021 -6.789 -0.195 1.00 44.30 H new ATOM 0 HD2 PRO A 41 -6.901 -9.368 -0.353 1.00 21.14 H new ATOM 0 HD3 PRO A 41 -5.554 -8.911 0.670 1.00 21.14 H new ATOM 681 N GLU A 42 -10.226 -7.209 3.014 1.00 11.05 N ATOM 682 CA GLU A 42 -11.704 -7.115 2.852 1.00 71.40 C ATOM 683 C GLU A 42 -12.037 -6.199 1.673 1.00 52.03 C ATOM 684 O GLU A 42 -13.129 -6.226 1.143 1.00 11.52 O ATOM 685 CB GLU A 42 -12.212 -6.510 4.161 1.00 21.11 C ATOM 686 CG GLU A 42 -13.695 -6.845 4.336 1.00 33.34 C ATOM 687 CD GLU A 42 -13.846 -8.328 4.677 1.00 34.02 C ATOM 688 OE1 GLU A 42 -12.850 -8.940 5.025 1.00 32.52 O ATOM 689 OE2 GLU A 42 -14.956 -8.826 4.583 1.00 35.33 O ATOM 0 H GLU A 42 -9.860 -6.838 3.891 1.00 11.05 H new ATOM 0 HA GLU A 42 -12.163 -8.083 2.650 1.00 71.40 H new ATOM 0 HB2 GLU A 42 -11.638 -6.901 5.001 1.00 21.11 H new ATOM 0 HB3 GLU A 42 -12.071 -5.429 4.154 1.00 21.11 H new ATOM 0 HG2 GLU A 42 -14.126 -6.233 5.128 1.00 33.34 H new ATOM 0 HG3 GLU A 42 -14.241 -6.614 3.422 1.00 33.34 H new ATOM 696 N GLU A 43 -11.099 -5.394 1.255 1.00 34.40 N ATOM 697 CA GLU A 43 -11.358 -4.482 0.105 1.00 22.21 C ATOM 698 C GLU A 43 -11.428 -5.294 -1.186 1.00 54.13 C ATOM 699 O GLU A 43 -12.230 -5.028 -2.059 1.00 1.32 O ATOM 700 CB GLU A 43 -10.162 -3.528 0.074 1.00 73.14 C ATOM 701 CG GLU A 43 -10.144 -2.687 1.354 1.00 4.31 C ATOM 702 CD GLU A 43 -8.720 -2.190 1.613 1.00 72.21 C ATOM 703 OE1 GLU A 43 -7.837 -2.560 0.858 1.00 53.23 O ATOM 704 OE2 GLU A 43 -8.538 -1.449 2.565 1.00 64.12 O ATOM 0 H GLU A 43 -10.165 -5.328 1.660 1.00 34.40 H new ATOM 0 HA GLU A 43 -12.300 -3.943 0.203 1.00 22.21 H new ATOM 0 HB2 GLU A 43 -9.235 -4.094 -0.015 1.00 73.14 H new ATOM 0 HB3 GLU A 43 -10.224 -2.879 -0.799 1.00 73.14 H new ATOM 0 HG2 GLU A 43 -10.825 -1.841 1.257 1.00 4.31 H new ATOM 0 HG3 GLU A 43 -10.493 -3.281 2.198 1.00 4.31 H new ATOM 711 N LEU A 44 -10.593 -6.289 -1.306 1.00 11.52 N ATOM 712 CA LEU A 44 -10.607 -7.131 -2.535 1.00 32.43 C ATOM 713 C LEU A 44 -11.574 -8.301 -2.351 1.00 11.13 C ATOM 714 O LEU A 44 -12.419 -8.556 -3.186 1.00 42.03 O ATOM 715 CB LEU A 44 -9.173 -7.640 -2.680 1.00 64.41 C ATOM 716 CG LEU A 44 -8.856 -7.865 -4.158 1.00 1.14 C ATOM 717 CD1 LEU A 44 -7.577 -7.110 -4.526 1.00 71.51 C ATOM 718 CD2 LEU A 44 -8.656 -9.361 -4.412 1.00 52.04 C ATOM 0 H LEU A 44 -9.901 -6.555 -0.605 1.00 11.52 H new ATOM 0 HA LEU A 44 -10.933 -6.579 -3.416 1.00 32.43 H new ATOM 0 HB2 LEU A 44 -8.476 -6.919 -2.254 1.00 64.41 H new ATOM 0 HB3 LEU A 44 -9.049 -8.570 -2.125 1.00 64.41 H new ATOM 0 HG LEU A 44 -9.682 -7.499 -4.768 1.00 1.14 H new ATOM 0 HD11 LEU A 44 -7.350 -7.270 -5.580 1.00 71.51 H new ATOM 0 HD12 LEU A 44 -7.718 -6.045 -4.343 1.00 71.51 H new ATOM 0 HD13 LEU A 44 -6.750 -7.477 -3.917 1.00 71.51 H new ATOM 0 HD21 LEU A 44 -8.430 -9.524 -5.466 1.00 52.04 H new ATOM 0 HD22 LEU A 44 -7.829 -9.726 -3.803 1.00 52.04 H new ATOM 0 HD23 LEU A 44 -9.566 -9.900 -4.149 1.00 52.04 H new ATOM 730 N MET A 45 -11.459 -9.013 -1.261 1.00 1.22 N ATOM 731 CA MET A 45 -12.376 -10.161 -1.026 1.00 54.22 C ATOM 732 C MET A 45 -13.829 -9.697 -1.136 1.00 70.50 C ATOM 733 O MET A 45 -14.723 -10.478 -1.398 1.00 74.33 O ATOM 734 CB MET A 45 -12.068 -10.636 0.395 1.00 42.11 C ATOM 735 CG MET A 45 -13.023 -11.772 0.767 1.00 23.12 C ATOM 736 SD MET A 45 -12.199 -12.907 1.911 1.00 21.33 S ATOM 737 CE MET A 45 -11.597 -14.082 0.673 1.00 3.03 C ATOM 0 H MET A 45 -10.771 -8.848 -0.526 1.00 1.22 H new ATOM 0 HA MET A 45 -12.238 -10.959 -1.756 1.00 54.22 H new ATOM 0 HB2 MET A 45 -11.035 -10.978 0.461 1.00 42.11 H new ATOM 0 HB3 MET A 45 -12.176 -9.810 1.098 1.00 42.11 H new ATOM 0 HG2 MET A 45 -13.925 -11.367 1.227 1.00 23.12 H new ATOM 0 HG3 MET A 45 -13.335 -12.307 -0.130 1.00 23.12 H new ATOM 0 HE1 MET A 45 -10.800 -14.688 1.104 1.00 3.03 H new ATOM 0 HE2 MET A 45 -12.415 -14.729 0.357 1.00 3.03 H new ATOM 0 HE3 MET A 45 -11.212 -13.537 -0.189 1.00 3.03 H new ATOM 747 N LYS A 46 -14.068 -8.428 -0.944 1.00 41.34 N ATOM 748 CA LYS A 46 -15.463 -7.913 -1.045 1.00 11.14 C ATOM 749 C LYS A 46 -16.097 -8.397 -2.350 1.00 64.33 C ATOM 750 O LYS A 46 -17.244 -8.797 -2.384 1.00 64.12 O ATOM 751 CB LYS A 46 -15.328 -6.392 -1.043 1.00 3.34 C ATOM 752 CG LYS A 46 -16.719 -5.756 -1.122 1.00 45.23 C ATOM 753 CD LYS A 46 -17.322 -5.676 0.282 1.00 52.40 C ATOM 754 CE LYS A 46 -17.558 -4.209 0.651 1.00 33.21 C ATOM 755 NZ LYS A 46 -17.126 -4.099 2.072 1.00 71.25 N ATOM 0 H LYS A 46 -13.360 -7.728 -0.722 1.00 41.34 H new ATOM 0 HA LYS A 46 -16.097 -8.260 -0.229 1.00 11.14 H new ATOM 0 HB2 LYS A 46 -14.817 -6.063 -0.138 1.00 3.34 H new ATOM 0 HB3 LYS A 46 -14.720 -6.069 -1.888 1.00 3.34 H new ATOM 0 HG2 LYS A 46 -16.651 -4.759 -1.558 1.00 45.23 H new ATOM 0 HG3 LYS A 46 -17.364 -6.345 -1.774 1.00 45.23 H new ATOM 0 HD2 LYS A 46 -18.262 -6.227 0.318 1.00 52.40 H new ATOM 0 HD3 LYS A 46 -16.652 -6.141 1.005 1.00 52.40 H new ATOM 0 HE2 LYS A 46 -16.981 -3.542 0.010 1.00 33.21 H new ATOM 0 HE3 LYS A 46 -18.607 -3.936 0.534 1.00 33.21 H new ATOM 0 HZ1 LYS A 46 -17.257 -3.121 2.400 1.00 71.25 H new ATOM 0 HZ2 LYS A 46 -17.697 -4.740 2.659 1.00 71.25 H new ATOM 0 HZ3 LYS A 46 -16.122 -4.359 2.151 1.00 71.25 H new ATOM 769 N GLY A 47 -15.354 -8.370 -3.422 1.00 63.22 N ATOM 770 CA GLY A 47 -15.907 -8.839 -4.722 1.00 44.35 C ATOM 771 C GLY A 47 -16.107 -10.352 -4.659 1.00 11.24 C ATOM 772 O GLY A 47 -17.095 -10.882 -5.126 1.00 43.21 O ATOM 0 H GLY A 47 -14.388 -8.043 -3.453 1.00 63.22 H new ATOM 0 HA2 GLY A 47 -16.855 -8.342 -4.929 1.00 44.35 H new ATOM 0 HA3 GLY A 47 -15.228 -8.582 -5.535 1.00 44.35 H new ATOM 776 N PHE A 48 -15.170 -11.051 -4.073 1.00 75.14 N ATOM 777 CA PHE A 48 -15.299 -12.532 -3.964 1.00 43.10 C ATOM 778 C PHE A 48 -16.391 -12.886 -2.950 1.00 43.03 C ATOM 779 O PHE A 48 -17.339 -13.581 -3.260 1.00 74.40 O ATOM 780 CB PHE A 48 -13.930 -13.005 -3.468 1.00 51.21 C ATOM 781 CG PHE A 48 -13.551 -14.286 -4.172 1.00 21.13 C ATOM 782 CD1 PHE A 48 -14.449 -15.359 -4.205 1.00 62.21 C ATOM 783 CD2 PHE A 48 -12.301 -14.401 -4.792 1.00 12.41 C ATOM 784 CE1 PHE A 48 -14.098 -16.546 -4.856 1.00 11.22 C ATOM 785 CE2 PHE A 48 -11.948 -15.586 -5.443 1.00 42.41 C ATOM 786 CZ PHE A 48 -12.848 -16.661 -5.477 1.00 34.03 C ATOM 0 H PHE A 48 -14.321 -10.659 -3.665 1.00 75.14 H new ATOM 0 HA PHE A 48 -15.576 -13.001 -4.908 1.00 43.10 H new ATOM 0 HB2 PHE A 48 -13.179 -12.238 -3.657 1.00 51.21 H new ATOM 0 HB3 PHE A 48 -13.958 -13.165 -2.390 1.00 51.21 H new ATOM 0 HD1 PHE A 48 -15.414 -15.270 -3.727 1.00 62.21 H new ATOM 0 HD2 PHE A 48 -11.609 -13.573 -4.767 1.00 12.41 H new ATOM 0 HE1 PHE A 48 -14.791 -17.374 -4.880 1.00 11.22 H new ATOM 0 HE2 PHE A 48 -10.983 -15.674 -5.920 1.00 42.41 H new ATOM 0 HZ PHE A 48 -12.577 -17.577 -5.982 1.00 34.03 H new ATOM 796 N GLY A 49 -16.267 -12.408 -1.741 1.00 20.12 N ATOM 797 CA GLY A 49 -17.294 -12.707 -0.706 1.00 11.10 C ATOM 798 C GLY A 49 -17.165 -14.162 -0.257 1.00 64.52 C ATOM 799 O GLY A 49 -16.251 -14.524 0.457 1.00 30.42 O ATOM 0 H GLY A 49 -15.495 -11.821 -1.426 1.00 20.12 H new ATOM 0 HA2 GLY A 49 -17.169 -12.041 0.147 1.00 11.10 H new ATOM 0 HA3 GLY A 49 -18.291 -12.527 -1.107 1.00 11.10 H new ATOM 803 N GLN A 50 -18.075 -14.999 -0.669 1.00 2.13 N ATOM 804 CA GLN A 50 -18.009 -16.433 -0.266 1.00 41.40 C ATOM 805 C GLN A 50 -17.438 -17.273 -1.408 1.00 72.12 C ATOM 806 O GLN A 50 -18.105 -17.528 -2.391 1.00 43.30 O ATOM 807 CB GLN A 50 -19.459 -16.829 0.020 1.00 33.03 C ATOM 808 CG GLN A 50 -19.733 -16.716 1.520 1.00 52.42 C ATOM 809 CD GLN A 50 -19.805 -15.241 1.917 1.00 64.03 C ATOM 810 OE1 GLN A 50 -20.873 -14.667 1.973 1.00 43.32 O ATOM 811 NE2 GLN A 50 -18.703 -14.597 2.198 1.00 43.05 N ATOM 0 H GLN A 50 -18.863 -14.753 -1.268 1.00 2.13 H new ATOM 0 HA GLN A 50 -17.365 -16.593 0.599 1.00 41.40 H new ATOM 0 HB2 GLN A 50 -20.140 -16.183 -0.534 1.00 33.03 H new ATOM 0 HB3 GLN A 50 -19.642 -17.849 -0.318 1.00 33.03 H new ATOM 0 HG2 GLN A 50 -20.669 -17.216 1.768 1.00 52.42 H new ATOM 0 HG3 GLN A 50 -18.945 -17.217 2.083 1.00 52.42 H new ATOM 0 HE21 GLN A 50 -17.805 -15.078 2.151 1.00 43.05 H new ATOM 0 HE22 GLN A 50 -18.741 -13.613 2.464 1.00 43.05 H new ATOM 820 N PRO A 51 -16.207 -17.676 -1.240 1.00 62.31 N ATOM 821 CA PRO A 51 -15.525 -18.495 -2.270 1.00 55.40 C ATOM 822 C PRO A 51 -16.045 -19.935 -2.241 1.00 11.11 C ATOM 823 O PRO A 51 -16.588 -20.390 -1.254 1.00 23.40 O ATOM 824 CB PRO A 51 -14.058 -18.440 -1.853 1.00 34.12 C ATOM 825 CG PRO A 51 -14.077 -18.164 -0.383 1.00 32.41 C ATOM 826 CD PRO A 51 -15.344 -17.406 -0.083 1.00 51.40 C ATOM 0 HA PRO A 51 -15.691 -18.133 -3.285 1.00 55.40 H new ATOM 0 HB2 PRO A 51 -13.552 -19.380 -2.070 1.00 34.12 H new ATOM 0 HB3 PRO A 51 -13.524 -17.658 -2.393 1.00 34.12 H new ATOM 0 HG2 PRO A 51 -14.044 -19.095 0.183 1.00 32.41 H new ATOM 0 HG3 PRO A 51 -13.203 -17.582 -0.090 1.00 32.41 H new ATOM 0 HD2 PRO A 51 -15.803 -17.748 0.845 1.00 51.40 H new ATOM 0 HD3 PRO A 51 -15.152 -16.339 0.031 1.00 51.40 H new ATOM 834 N GLN A 52 -15.877 -20.653 -3.317 1.00 24.51 N ATOM 835 CA GLN A 52 -16.358 -22.066 -3.354 1.00 51.31 C ATOM 836 C GLN A 52 -15.272 -22.975 -3.934 1.00 53.04 C ATOM 837 O GLN A 52 -14.339 -22.516 -4.564 1.00 74.24 O ATOM 838 CB GLN A 52 -17.586 -22.047 -4.265 1.00 2.00 C ATOM 839 CG GLN A 52 -18.493 -20.875 -3.882 1.00 72.24 C ATOM 840 CD GLN A 52 -18.903 -21.005 -2.412 1.00 10.13 C ATOM 841 OE1 GLN A 52 -18.904 -22.088 -1.863 1.00 43.10 O ATOM 842 NE2 GLN A 52 -19.257 -19.936 -1.751 1.00 62.13 N ATOM 0 H GLN A 52 -15.428 -20.324 -4.172 1.00 24.51 H new ATOM 0 HA GLN A 52 -16.597 -22.447 -2.361 1.00 51.31 H new ATOM 0 HB2 GLN A 52 -17.277 -21.955 -5.306 1.00 2.00 H new ATOM 0 HB3 GLN A 52 -18.132 -22.986 -4.176 1.00 2.00 H new ATOM 0 HG2 GLN A 52 -17.973 -19.931 -4.043 1.00 72.24 H new ATOM 0 HG3 GLN A 52 -19.378 -20.864 -4.518 1.00 72.24 H new ATOM 0 HE21 GLN A 52 -19.256 -19.027 -2.213 1.00 62.13 H new ATOM 0 HE22 GLN A 52 -19.535 -20.010 -0.772 1.00 62.13 H new ATOM 851 N LEU A 53 -15.382 -24.259 -3.730 1.00 30.51 N ATOM 852 CA LEU A 53 -14.353 -25.192 -4.272 1.00 34.51 C ATOM 853 C LEU A 53 -14.774 -25.688 -5.659 1.00 51.21 C ATOM 854 O LEU A 53 -15.627 -26.543 -5.790 1.00 13.15 O ATOM 855 CB LEU A 53 -14.307 -26.351 -3.274 1.00 63.34 C ATOM 856 CG LEU A 53 -12.901 -26.954 -3.242 1.00 14.04 C ATOM 857 CD1 LEU A 53 -12.605 -27.637 -4.579 1.00 44.34 C ATOM 858 CD2 LEU A 53 -11.872 -25.850 -2.995 1.00 12.13 C ATOM 0 H LEU A 53 -16.140 -24.703 -3.211 1.00 30.51 H new ATOM 0 HA LEU A 53 -13.379 -24.717 -4.387 1.00 34.51 H new ATOM 0 HB2 LEU A 53 -14.584 -25.998 -2.280 1.00 63.34 H new ATOM 0 HB3 LEU A 53 -15.033 -27.114 -3.555 1.00 63.34 H new ATOM 0 HG LEU A 53 -12.843 -27.688 -2.438 1.00 14.04 H new ATOM 0 HD11 LEU A 53 -11.603 -28.066 -4.555 1.00 44.34 H new ATOM 0 HD12 LEU A 53 -13.334 -28.428 -4.753 1.00 44.34 H new ATOM 0 HD13 LEU A 53 -12.666 -26.904 -5.383 1.00 44.34 H new ATOM 0 HD21 LEU A 53 -10.872 -26.283 -2.973 1.00 12.13 H new ATOM 0 HD22 LEU A 53 -11.930 -25.112 -3.795 1.00 12.13 H new ATOM 0 HD23 LEU A 53 -12.079 -25.366 -2.040 1.00 12.13 H new ATOM 870 N ALA A 54 -14.184 -25.152 -6.695 1.00 50.23 N ATOM 871 CA ALA A 54 -14.555 -25.590 -8.070 1.00 31.21 C ATOM 872 C ALA A 54 -13.601 -26.684 -8.557 1.00 33.22 C ATOM 873 O ALA A 54 -14.020 -27.738 -8.991 1.00 50.03 O ATOM 874 CB ALA A 54 -14.416 -24.335 -8.933 1.00 22.41 C ATOM 0 H ALA A 54 -13.463 -24.432 -6.647 1.00 50.23 H new ATOM 0 HA ALA A 54 -15.561 -26.008 -8.112 1.00 31.21 H new ATOM 0 HB1 ALA A 54 -14.672 -24.573 -9.965 1.00 22.41 H new ATOM 0 HB2 ALA A 54 -15.088 -23.562 -8.561 1.00 22.41 H new ATOM 0 HB3 ALA A 54 -13.388 -23.975 -8.888 1.00 22.41 H new ATOM 880 N MET A 55 -12.320 -26.440 -8.489 1.00 11.30 N ATOM 881 CA MET A 55 -11.343 -27.465 -8.951 1.00 22.25 C ATOM 882 C MET A 55 -10.103 -27.458 -8.053 1.00 72.14 C ATOM 883 O MET A 55 -9.625 -26.416 -7.649 1.00 52.00 O ATOM 884 CB MET A 55 -10.974 -27.049 -10.374 1.00 32.41 C ATOM 885 CG MET A 55 -11.224 -28.217 -11.331 1.00 5.34 C ATOM 886 SD MET A 55 -12.831 -28.001 -12.139 1.00 20.03 S ATOM 887 CE MET A 55 -12.641 -29.308 -13.378 1.00 72.41 C ATOM 0 H MET A 55 -11.909 -25.576 -8.134 1.00 11.30 H new ATOM 0 HA MET A 55 -11.756 -28.473 -8.915 1.00 22.25 H new ATOM 0 HB2 MET A 55 -11.566 -26.185 -10.676 1.00 32.41 H new ATOM 0 HB3 MET A 55 -9.927 -26.749 -10.416 1.00 32.41 H new ATOM 0 HG2 MET A 55 -10.432 -28.265 -12.079 1.00 5.34 H new ATOM 0 HG3 MET A 55 -11.203 -29.160 -10.785 1.00 5.34 H new ATOM 0 HE1 MET A 55 -13.535 -29.353 -14.000 1.00 72.41 H new ATOM 0 HE2 MET A 55 -11.775 -29.093 -14.004 1.00 72.41 H new ATOM 0 HE3 MET A 55 -12.499 -30.266 -12.878 1.00 72.41 H new ATOM 897 N ILE A 56 -9.580 -28.610 -7.740 1.00 52.50 N ATOM 898 CA ILE A 56 -8.372 -28.667 -6.871 1.00 34.34 C ATOM 899 C ILE A 56 -7.160 -29.130 -7.684 1.00 72.23 C ATOM 900 O ILE A 56 -7.220 -30.103 -8.408 1.00 73.12 O ATOM 901 CB ILE A 56 -8.712 -29.686 -5.784 1.00 14.15 C ATOM 902 CG1 ILE A 56 -9.910 -29.183 -4.975 1.00 34.51 C ATOM 903 CG2 ILE A 56 -7.509 -29.864 -4.855 1.00 2.33 C ATOM 904 CD1 ILE A 56 -10.616 -30.367 -4.313 1.00 32.12 C ATOM 0 H ILE A 56 -9.937 -29.515 -8.048 1.00 52.50 H new ATOM 0 HA ILE A 56 -8.119 -27.694 -6.450 1.00 34.34 H new ATOM 0 HB ILE A 56 -8.958 -30.642 -6.246 1.00 14.15 H new ATOM 0 HG12 ILE A 56 -9.578 -28.474 -4.216 1.00 34.51 H new ATOM 0 HG13 ILE A 56 -10.604 -28.651 -5.626 1.00 34.51 H new ATOM 0 HG21 ILE A 56 -7.752 -30.591 -4.080 1.00 2.33 H new ATOM 0 HG22 ILE A 56 -6.654 -30.219 -5.431 1.00 2.33 H new ATOM 0 HG23 ILE A 56 -7.262 -28.909 -4.392 1.00 2.33 H new ATOM 0 HD11 ILE A 56 -11.469 -30.007 -3.737 1.00 32.12 H new ATOM 0 HD12 ILE A 56 -10.963 -31.059 -5.080 1.00 32.12 H new ATOM 0 HD13 ILE A 56 -9.921 -30.880 -3.649 1.00 32.12 H new ATOM 916 N LEU A 57 -6.060 -28.437 -7.570 1.00 14.04 N ATOM 917 CA LEU A 57 -4.845 -28.831 -8.338 1.00 1.14 C ATOM 918 C LEU A 57 -3.907 -29.664 -7.455 1.00 31.14 C ATOM 919 O LEU A 57 -3.466 -29.209 -6.418 1.00 13.25 O ATOM 920 CB LEU A 57 -4.185 -27.510 -8.730 1.00 44.22 C ATOM 921 CG LEU A 57 -2.841 -27.792 -9.401 1.00 73.31 C ATOM 922 CD1 LEU A 57 -2.870 -27.277 -10.841 1.00 73.30 C ATOM 923 CD2 LEU A 57 -1.727 -27.081 -8.627 1.00 11.31 C ATOM 0 H LEU A 57 -5.950 -27.614 -6.977 1.00 14.04 H new ATOM 0 HA LEU A 57 -5.083 -29.442 -9.208 1.00 1.14 H new ATOM 0 HB2 LEU A 57 -4.833 -26.955 -9.408 1.00 44.22 H new ATOM 0 HB3 LEU A 57 -4.039 -26.888 -7.847 1.00 44.22 H new ATOM 0 HG LEU A 57 -2.655 -28.866 -9.404 1.00 73.31 H new ATOM 0 HD11 LEU A 57 -1.911 -27.478 -11.319 1.00 73.30 H new ATOM 0 HD12 LEU A 57 -3.663 -27.782 -11.392 1.00 73.30 H new ATOM 0 HD13 LEU A 57 -3.056 -26.203 -10.840 1.00 73.30 H new ATOM 0 HD21 LEU A 57 -0.768 -27.281 -9.104 1.00 11.31 H new ATOM 0 HD22 LEU A 57 -1.914 -26.007 -8.624 1.00 11.31 H new ATOM 0 HD23 LEU A 57 -1.705 -27.448 -7.601 1.00 11.31 H new ATOM 935 N PRO A 58 -3.634 -30.861 -7.901 1.00 63.11 N ATOM 936 CA PRO A 58 -2.738 -31.772 -7.147 1.00 52.12 C ATOM 937 C PRO A 58 -1.280 -31.324 -7.287 1.00 34.31 C ATOM 938 O PRO A 58 -0.993 -30.281 -7.843 1.00 21.43 O ATOM 939 CB PRO A 58 -2.950 -33.125 -7.822 1.00 5.51 C ATOM 940 CG PRO A 58 -3.409 -32.796 -9.208 1.00 60.41 C ATOM 941 CD PRO A 58 -4.130 -31.473 -9.138 1.00 44.14 C ATOM 0 HA PRO A 58 -2.953 -31.793 -6.079 1.00 52.12 H new ATOM 0 HB2 PRO A 58 -2.028 -33.707 -7.839 1.00 5.51 H new ATOM 0 HB3 PRO A 58 -3.693 -33.720 -7.290 1.00 5.51 H new ATOM 0 HG2 PRO A 58 -2.561 -32.736 -9.890 1.00 60.41 H new ATOM 0 HG3 PRO A 58 -4.070 -33.574 -9.589 1.00 60.41 H new ATOM 0 HD2 PRO A 58 -3.909 -30.852 -10.006 1.00 44.14 H new ATOM 0 HD3 PRO A 58 -5.211 -31.609 -9.110 1.00 44.14 H new ATOM 949 N LEU A 59 -0.357 -32.101 -6.791 1.00 55.14 N ATOM 950 CA LEU A 59 1.080 -31.717 -6.904 1.00 72.14 C ATOM 951 C LEU A 59 1.827 -32.715 -7.788 1.00 25.31 C ATOM 952 O LEU A 59 2.877 -33.214 -7.435 1.00 71.41 O ATOM 953 CB LEU A 59 1.621 -31.777 -5.483 1.00 44.05 C ATOM 954 CG LEU A 59 1.574 -33.222 -4.980 1.00 4.20 C ATOM 955 CD1 LEU A 59 2.889 -33.563 -4.282 1.00 72.13 C ATOM 956 CD2 LEU A 59 0.416 -33.382 -3.993 1.00 22.11 C ATOM 0 H LEU A 59 -0.534 -32.984 -6.313 1.00 55.14 H new ATOM 0 HA LEU A 59 1.204 -30.731 -7.352 1.00 72.14 H new ATOM 0 HB2 LEU A 59 2.645 -31.404 -5.456 1.00 44.05 H new ATOM 0 HB3 LEU A 59 1.031 -31.134 -4.830 1.00 44.05 H new ATOM 0 HG LEU A 59 1.427 -33.895 -5.825 1.00 4.20 H new ATOM 0 HD11 LEU A 59 2.855 -34.592 -3.924 1.00 72.13 H new ATOM 0 HD12 LEU A 59 3.714 -33.451 -4.985 1.00 72.13 H new ATOM 0 HD13 LEU A 59 3.038 -32.890 -3.438 1.00 72.13 H new ATOM 0 HD21 LEU A 59 0.383 -34.411 -3.635 1.00 22.11 H new ATOM 0 HD22 LEU A 59 0.562 -32.708 -3.149 1.00 22.11 H new ATOM 0 HD23 LEU A 59 -0.523 -33.141 -4.491 1.00 22.11 H new ATOM 1090 N ASN A 67 -6.398 -19.264 -16.876 1.00 45.01 N ATOM 1091 CA ASN A 67 -6.833 -18.115 -16.029 1.00 40.33 C ATOM 1092 C ASN A 67 -5.630 -17.506 -15.305 1.00 2.11 C ATOM 1093 O ASN A 67 -5.274 -16.365 -15.524 1.00 63.24 O ATOM 1094 CB ASN A 67 -7.818 -18.716 -15.023 1.00 33.14 C ATOM 1095 CG ASN A 67 -8.781 -19.655 -15.749 1.00 40.11 C ATOM 1096 OD1 ASN A 67 -8.656 -20.861 -15.663 1.00 45.42 O ATOM 1097 ND2 ASN A 67 -9.750 -19.153 -16.466 1.00 2.24 N ATOM 0 HA ASN A 67 -7.286 -17.317 -16.616 1.00 40.33 H new ATOM 0 HB2 ASN A 67 -7.277 -19.261 -14.249 1.00 33.14 H new ATOM 0 HB3 ASN A 67 -8.374 -17.922 -14.524 1.00 33.14 H new ATOM 0 HD21 ASN A 67 -10.399 -19.772 -16.952 1.00 2.24 H new ATOM 0 HD22 ASN A 67 -9.858 -18.141 -16.541 1.00 2.24 H new ATOM 1104 N ALA A 68 -4.999 -18.259 -14.444 1.00 12.25 N ATOM 1105 CA ALA A 68 -3.818 -17.719 -13.708 1.00 2.32 C ATOM 1106 C ALA A 68 -2.617 -18.644 -13.884 1.00 1.21 C ATOM 1107 O ALA A 68 -2.761 -19.818 -14.167 1.00 43.31 O ATOM 1108 CB ALA A 68 -4.252 -17.673 -12.244 1.00 73.32 C ATOM 0 H ALA A 68 -5.249 -19.222 -14.219 1.00 12.25 H new ATOM 0 HA ALA A 68 -3.516 -16.738 -14.074 1.00 2.32 H new ATOM 0 HB1 ALA A 68 -3.436 -17.286 -11.634 1.00 73.32 H new ATOM 0 HB2 ALA A 68 -5.121 -17.023 -12.142 1.00 73.32 H new ATOM 0 HB3 ALA A 68 -4.510 -18.678 -11.909 1.00 73.32 H new ATOM 1114 N ASP A 69 -1.431 -18.130 -13.717 1.00 41.02 N ATOM 1115 CA ASP A 69 -0.226 -18.988 -13.872 1.00 11.23 C ATOM 1116 C ASP A 69 0.159 -19.586 -12.520 1.00 41.11 C ATOM 1117 O ASP A 69 0.611 -18.895 -11.627 1.00 62.13 O ATOM 1118 CB ASP A 69 0.870 -18.051 -14.378 1.00 73.00 C ATOM 1119 CG ASP A 69 0.512 -17.555 -15.781 1.00 32.24 C ATOM 1120 OD1 ASP A 69 -0.277 -16.628 -15.875 1.00 24.51 O ATOM 1121 OD2 ASP A 69 1.035 -18.107 -16.734 1.00 32.40 O ATOM 0 H ASP A 69 -1.245 -17.155 -13.481 1.00 41.02 H new ATOM 0 HA ASP A 69 -0.392 -19.819 -14.557 1.00 11.23 H new ATOM 0 HB2 ASP A 69 0.982 -17.205 -13.700 1.00 73.00 H new ATOM 0 HB3 ASP A 69 1.827 -18.572 -14.398 1.00 73.00 H new ATOM 1126 N ILE A 70 -0.021 -20.865 -12.362 1.00 53.33 N ATOM 1127 CA ILE A 70 0.329 -21.514 -11.066 1.00 72.33 C ATOM 1128 C ILE A 70 1.715 -21.049 -10.599 1.00 62.22 C ATOM 1129 O ILE A 70 1.963 -20.890 -9.421 1.00 2.13 O ATOM 1130 CB ILE A 70 0.309 -23.022 -11.364 1.00 11.43 C ATOM 1131 CG1 ILE A 70 -0.093 -23.781 -10.098 1.00 74.41 C ATOM 1132 CG2 ILE A 70 1.693 -23.499 -11.827 1.00 61.42 C ATOM 1133 CD1 ILE A 70 0.705 -23.252 -8.904 1.00 73.01 C ATOM 0 H ILE A 70 -0.396 -21.492 -13.074 1.00 53.33 H new ATOM 0 HA ILE A 70 -0.364 -21.258 -10.264 1.00 72.33 H new ATOM 0 HB ILE A 70 -0.411 -23.214 -12.159 1.00 11.43 H new ATOM 0 HG12 ILE A 70 -1.161 -23.663 -9.915 1.00 74.41 H new ATOM 0 HG13 ILE A 70 0.092 -24.847 -10.228 1.00 74.41 H new ATOM 0 HG21 ILE A 70 1.659 -24.569 -12.033 1.00 61.42 H new ATOM 0 HG22 ILE A 70 1.978 -22.964 -12.733 1.00 61.42 H new ATOM 0 HG23 ILE A 70 2.426 -23.303 -11.044 1.00 61.42 H new ATOM 0 HD11 ILE A 70 0.416 -23.795 -8.004 1.00 73.01 H new ATOM 0 HD12 ILE A 70 1.770 -23.393 -9.087 1.00 73.01 H new ATOM 0 HD13 ILE A 70 0.498 -22.190 -8.770 1.00 73.01 H new ATOM 1145 N GLU A 71 2.617 -20.834 -11.517 1.00 41.13 N ATOM 1146 CA GLU A 71 3.985 -20.382 -11.132 1.00 10.02 C ATOM 1147 C GLU A 71 3.928 -18.971 -10.545 1.00 2.52 C ATOM 1148 O GLU A 71 4.460 -18.707 -9.486 1.00 31.03 O ATOM 1149 CB GLU A 71 4.786 -20.391 -12.435 1.00 71.42 C ATOM 1150 CG GLU A 71 4.865 -21.821 -12.971 1.00 3.33 C ATOM 1151 CD GLU A 71 5.293 -21.794 -14.440 1.00 62.21 C ATOM 1152 OE1 GLU A 71 4.625 -21.134 -15.220 1.00 41.34 O ATOM 1153 OE2 GLU A 71 6.282 -22.434 -14.760 1.00 62.12 O ATOM 0 H GLU A 71 2.466 -20.952 -12.519 1.00 41.13 H new ATOM 0 HA GLU A 71 4.435 -21.023 -10.374 1.00 10.02 H new ATOM 0 HB2 GLU A 71 4.313 -19.741 -13.171 1.00 71.42 H new ATOM 0 HB3 GLU A 71 5.788 -20.000 -12.262 1.00 71.42 H new ATOM 0 HG2 GLU A 71 5.577 -22.401 -12.385 1.00 3.33 H new ATOM 0 HG3 GLU A 71 3.897 -22.311 -12.873 1.00 3.33 H new ATOM 1160 N LYS A 72 3.282 -18.062 -11.222 1.00 24.33 N ATOM 1161 CA LYS A 72 3.187 -16.670 -10.696 1.00 12.24 C ATOM 1162 C LYS A 72 2.499 -16.676 -9.332 1.00 22.02 C ATOM 1163 O LYS A 72 2.578 -15.726 -8.578 1.00 14.52 O ATOM 1164 CB LYS A 72 2.337 -15.916 -11.721 1.00 42.40 C ATOM 1165 CG LYS A 72 3.203 -15.531 -12.922 1.00 12.15 C ATOM 1166 CD LYS A 72 2.917 -14.080 -13.315 1.00 44.41 C ATOM 1167 CE LYS A 72 1.423 -13.915 -13.602 1.00 2.51 C ATOM 1168 NZ LYS A 72 1.335 -13.663 -15.067 1.00 10.51 N ATOM 0 H LYS A 72 2.816 -18.222 -12.115 1.00 24.33 H new ATOM 0 HA LYS A 72 4.165 -16.208 -10.561 1.00 12.24 H new ATOM 0 HB2 LYS A 72 1.503 -16.539 -12.046 1.00 42.40 H new ATOM 0 HB3 LYS A 72 1.909 -15.022 -11.267 1.00 42.40 H new ATOM 0 HG2 LYS A 72 4.258 -15.651 -12.676 1.00 12.15 H new ATOM 0 HG3 LYS A 72 2.994 -16.194 -13.762 1.00 12.15 H new ATOM 0 HD2 LYS A 72 3.221 -13.408 -12.512 1.00 44.41 H new ATOM 0 HD3 LYS A 72 3.500 -13.809 -14.195 1.00 44.41 H new ATOM 0 HE2 LYS A 72 0.867 -14.809 -13.322 1.00 2.51 H new ATOM 0 HE3 LYS A 72 1.001 -13.086 -13.033 1.00 2.51 H new ATOM 0 HZ1 LYS A 72 0.339 -13.540 -15.339 1.00 10.51 H new ATOM 0 HZ2 LYS A 72 1.868 -12.802 -15.304 1.00 10.51 H new ATOM 0 HZ3 LYS A 72 1.737 -14.472 -15.583 1.00 10.51 H new ATOM 1182 N VAL A 73 1.824 -17.744 -9.007 1.00 33.12 N ATOM 1183 CA VAL A 73 1.131 -17.823 -7.691 1.00 44.51 C ATOM 1184 C VAL A 73 2.092 -18.354 -6.624 1.00 23.22 C ATOM 1185 O VAL A 73 1.898 -18.155 -5.441 1.00 53.31 O ATOM 1186 CB VAL A 73 -0.018 -18.807 -7.909 1.00 65.04 C ATOM 1187 CG1 VAL A 73 -0.738 -19.054 -6.584 1.00 62.40 C ATOM 1188 CG2 VAL A 73 -1.005 -18.220 -8.924 1.00 14.30 C ATOM 0 H VAL A 73 1.722 -18.568 -9.599 1.00 33.12 H new ATOM 0 HA VAL A 73 0.777 -16.850 -7.349 1.00 44.51 H new ATOM 0 HB VAL A 73 0.378 -19.749 -8.287 1.00 65.04 H new ATOM 0 HG11 VAL A 73 -1.557 -19.756 -6.740 1.00 62.40 H new ATOM 0 HG12 VAL A 73 -0.037 -19.470 -5.861 1.00 62.40 H new ATOM 0 HG13 VAL A 73 -1.134 -18.112 -6.204 1.00 62.40 H new ATOM 0 HG21 VAL A 73 -1.825 -18.920 -9.081 1.00 14.30 H new ATOM 0 HG22 VAL A 73 -1.400 -17.278 -8.544 1.00 14.30 H new ATOM 0 HG23 VAL A 73 -0.493 -18.044 -9.870 1.00 14.30 H new ATOM 1198 N LYS A 74 3.126 -19.031 -7.040 1.00 63.31 N ATOM 1199 CA LYS A 74 4.105 -19.586 -6.061 1.00 52.20 C ATOM 1200 C LYS A 74 4.516 -18.516 -5.043 1.00 60.04 C ATOM 1201 O LYS A 74 4.466 -18.729 -3.850 1.00 42.52 O ATOM 1202 CB LYS A 74 5.311 -20.007 -6.906 1.00 43.32 C ATOM 1203 CG LYS A 74 4.885 -21.080 -7.915 1.00 45.21 C ATOM 1204 CD LYS A 74 4.963 -22.460 -7.260 1.00 65.11 C ATOM 1205 CE LYS A 74 3.591 -22.836 -6.701 1.00 35.33 C ATOM 1206 NZ LYS A 74 3.851 -23.253 -5.295 1.00 54.04 N ATOM 0 H LYS A 74 3.337 -19.225 -8.019 1.00 63.31 H new ATOM 0 HA LYS A 74 3.688 -20.417 -5.492 1.00 52.20 H new ATOM 0 HB2 LYS A 74 5.720 -19.143 -7.430 1.00 43.32 H new ATOM 0 HB3 LYS A 74 6.102 -20.393 -6.262 1.00 43.32 H new ATOM 0 HG2 LYS A 74 3.869 -20.887 -8.260 1.00 45.21 H new ATOM 0 HG3 LYS A 74 5.531 -21.046 -8.792 1.00 45.21 H new ATOM 0 HD2 LYS A 74 5.287 -23.203 -7.989 1.00 65.11 H new ATOM 0 HD3 LYS A 74 5.704 -22.454 -6.461 1.00 65.11 H new ATOM 0 HE2 LYS A 74 2.903 -21.992 -6.742 1.00 35.33 H new ATOM 0 HE3 LYS A 74 3.138 -23.644 -7.275 1.00 35.33 H new ATOM 0 HZ1 LYS A 74 2.955 -23.527 -4.843 1.00 54.04 H new ATOM 0 HZ2 LYS A 74 4.504 -24.063 -5.288 1.00 54.04 H new ATOM 0 HZ3 LYS A 74 4.276 -22.461 -4.771 1.00 54.04 H new ATOM 1220 N GLN A 75 4.934 -17.372 -5.508 1.00 53.52 N ATOM 1221 CA GLN A 75 5.365 -16.295 -4.565 1.00 33.14 C ATOM 1222 C GLN A 75 4.194 -15.810 -3.706 1.00 62.03 C ATOM 1223 O GLN A 75 4.376 -15.105 -2.735 1.00 72.00 O ATOM 1224 CB GLN A 75 5.911 -15.155 -5.441 1.00 51.51 C ATOM 1225 CG GLN A 75 4.956 -14.832 -6.605 1.00 75.24 C ATOM 1226 CD GLN A 75 3.554 -14.536 -6.076 1.00 63.04 C ATOM 1227 OE1 GLN A 75 2.636 -15.304 -6.287 1.00 0.25 O ATOM 1228 NE2 GLN A 75 3.344 -13.445 -5.395 1.00 73.20 N ATOM 0 H GLN A 75 4.997 -17.134 -6.498 1.00 53.52 H new ATOM 0 HA GLN A 75 6.122 -16.661 -3.872 1.00 33.14 H new ATOM 0 HB2 GLN A 75 6.057 -14.264 -4.831 1.00 51.51 H new ATOM 0 HB3 GLN A 75 6.887 -15.434 -5.837 1.00 51.51 H new ATOM 0 HG2 GLN A 75 5.330 -13.974 -7.163 1.00 75.24 H new ATOM 0 HG3 GLN A 75 4.920 -15.672 -7.298 1.00 75.24 H new ATOM 0 HE21 GLN A 75 4.113 -12.799 -5.217 1.00 73.20 H new ATOM 0 HE22 GLN A 75 2.411 -13.237 -5.040 1.00 73.20 H new ATOM 1237 N ALA A 76 2.991 -16.178 -4.055 1.00 32.13 N ATOM 1238 CA ALA A 76 1.818 -15.726 -3.252 1.00 32.43 C ATOM 1239 C ALA A 76 1.473 -16.761 -2.182 1.00 12.42 C ATOM 1240 O ALA A 76 1.200 -16.427 -1.047 1.00 42.40 O ATOM 1241 CB ALA A 76 0.674 -15.599 -4.256 1.00 65.20 C ATOM 0 H ALA A 76 2.770 -16.769 -4.857 1.00 32.13 H new ATOM 0 HA ALA A 76 2.015 -14.788 -2.734 1.00 32.43 H new ATOM 0 HB1 ALA A 76 -0.228 -15.269 -3.740 1.00 65.20 H new ATOM 0 HB2 ALA A 76 0.941 -14.871 -5.022 1.00 65.20 H new ATOM 0 HB3 ALA A 76 0.491 -16.566 -4.724 1.00 65.20 H new ATOM 1247 N LEU A 77 1.483 -18.017 -2.535 1.00 22.42 N ATOM 1248 CA LEU A 77 1.151 -19.067 -1.531 1.00 34.41 C ATOM 1249 C LEU A 77 2.361 -19.340 -0.635 1.00 52.11 C ATOM 1250 O LEU A 77 2.230 -19.829 0.470 1.00 1.05 O ATOM 1251 CB LEU A 77 0.795 -20.307 -2.351 1.00 63.52 C ATOM 1252 CG LEU A 77 -0.197 -19.926 -3.452 1.00 53.25 C ATOM 1253 CD1 LEU A 77 -0.744 -21.193 -4.108 1.00 3.51 C ATOM 1254 CD2 LEU A 77 -1.354 -19.128 -2.844 1.00 63.41 C ATOM 0 H LEU A 77 1.705 -18.360 -3.469 1.00 22.42 H new ATOM 0 HA LEU A 77 0.332 -18.768 -0.876 1.00 34.41 H new ATOM 0 HB2 LEU A 77 1.696 -20.735 -2.791 1.00 63.52 H new ATOM 0 HB3 LEU A 77 0.362 -21.071 -1.705 1.00 63.52 H new ATOM 0 HG LEU A 77 0.310 -19.319 -4.201 1.00 53.25 H new ATOM 0 HD11 LEU A 77 -1.451 -20.921 -4.892 1.00 3.51 H new ATOM 0 HD12 LEU A 77 0.078 -21.762 -4.542 1.00 3.51 H new ATOM 0 HD13 LEU A 77 -1.250 -21.801 -3.359 1.00 3.51 H new ATOM 0 HD21 LEU A 77 -2.061 -18.857 -3.628 1.00 63.41 H new ATOM 0 HD22 LEU A 77 -1.860 -19.735 -2.094 1.00 63.41 H new ATOM 0 HD23 LEU A 77 -0.966 -18.223 -2.376 1.00 63.41 H new ATOM 1266 N THR A 78 3.539 -19.024 -1.098 1.00 43.32 N ATOM 1267 CA THR A 78 4.755 -19.262 -0.271 1.00 10.50 C ATOM 1268 C THR A 78 4.991 -18.076 0.669 1.00 64.42 C ATOM 1269 O THR A 78 5.501 -18.226 1.761 1.00 21.10 O ATOM 1270 CB THR A 78 5.902 -19.389 -1.278 1.00 14.22 C ATOM 1271 OG1 THR A 78 7.027 -19.977 -0.640 1.00 42.40 O ATOM 1272 CG2 THR A 78 6.281 -18.006 -1.810 1.00 12.30 C ATOM 0 H THR A 78 3.712 -18.611 -2.014 1.00 43.32 H new ATOM 0 HA THR A 78 4.665 -20.150 0.354 1.00 10.50 H new ATOM 0 HB THR A 78 5.583 -20.017 -2.110 1.00 14.22 H new ATOM 0 HG1 THR A 78 7.761 -20.060 -1.283 1.00 42.40 H new ATOM 0 HG21 THR A 78 7.097 -18.103 -2.526 1.00 12.30 H new ATOM 0 HG22 THR A 78 5.418 -17.556 -2.302 1.00 12.30 H new ATOM 0 HG23 THR A 78 6.598 -17.372 -0.982 1.00 12.30 H new ATOM 1280 N GLU A 79 4.623 -16.895 0.249 1.00 11.41 N ATOM 1281 CA GLU A 79 4.827 -15.697 1.113 1.00 51.34 C ATOM 1282 C GLU A 79 3.544 -15.377 1.887 1.00 74.34 C ATOM 1283 O GLU A 79 3.565 -15.172 3.085 1.00 55.50 O ATOM 1284 CB GLU A 79 5.166 -14.567 0.145 1.00 14.51 C ATOM 1285 CG GLU A 79 6.596 -14.746 -0.366 1.00 74.14 C ATOM 1286 CD GLU A 79 7.554 -13.926 0.499 1.00 41.12 C ATOM 1287 OE1 GLU A 79 7.088 -13.012 1.160 1.00 55.22 O ATOM 1288 OE2 GLU A 79 8.738 -14.226 0.487 1.00 4.01 O ATOM 0 H GLU A 79 4.190 -16.709 -0.655 1.00 11.41 H new ATOM 0 HA GLU A 79 5.613 -15.849 1.853 1.00 51.34 H new ATOM 0 HB2 GLU A 79 4.467 -14.568 -0.691 1.00 14.51 H new ATOM 0 HB3 GLU A 79 5.065 -13.603 0.644 1.00 14.51 H new ATOM 0 HG2 GLU A 79 6.874 -15.799 -0.337 1.00 74.14 H new ATOM 0 HG3 GLU A 79 6.664 -14.427 -1.406 1.00 74.14 H new ATOM 1295 N GLN A 80 2.433 -15.328 1.209 1.00 62.15 N ATOM 1296 CA GLN A 80 1.145 -15.016 1.900 1.00 14.05 C ATOM 1297 C GLN A 80 0.350 -16.304 2.107 1.00 62.23 C ATOM 1298 O GLN A 80 -0.095 -16.607 3.196 1.00 71.52 O ATOM 1299 CB GLN A 80 0.377 -14.070 0.963 1.00 72.03 C ATOM 1300 CG GLN A 80 1.341 -13.131 0.223 1.00 34.00 C ATOM 1301 CD GLN A 80 0.615 -12.499 -0.965 1.00 22.03 C ATOM 1302 OE1 GLN A 80 0.636 -11.297 -1.139 1.00 50.30 O ATOM 1303 NE2 GLN A 80 -0.032 -13.267 -1.801 1.00 50.21 N ATOM 0 H GLN A 80 2.358 -15.490 0.205 1.00 62.15 H new ATOM 0 HA GLN A 80 1.310 -14.561 2.877 1.00 14.05 H new ATOM 0 HB2 GLN A 80 -0.196 -14.652 0.241 1.00 72.03 H new ATOM 0 HB3 GLN A 80 -0.339 -13.483 1.539 1.00 72.03 H new ATOM 0 HG2 GLN A 80 1.702 -12.355 0.898 1.00 34.00 H new ATOM 0 HG3 GLN A 80 2.214 -13.685 -0.122 1.00 34.00 H new ATOM 0 HE21 GLN A 80 -0.051 -14.277 -1.656 1.00 50.21 H new ATOM 0 HE22 GLN A 80 -0.518 -12.857 -2.598 1.00 50.21 H new ATOM 1312 N GLY A 81 0.168 -17.065 1.061 1.00 70.02 N ATOM 1313 CA GLY A 81 -0.598 -18.332 1.188 1.00 14.02 C ATOM 1314 C GLY A 81 -1.857 -18.260 0.324 1.00 44.31 C ATOM 1315 O GLY A 81 -2.677 -19.158 0.334 1.00 33.52 O ATOM 0 H GLY A 81 0.518 -16.861 0.125 1.00 70.02 H new ATOM 0 HA2 GLY A 81 0.020 -19.175 0.878 1.00 14.02 H new ATOM 0 HA3 GLY A 81 -0.869 -18.502 2.230 1.00 14.02 H new ATOM 1319 N TYR A 82 -2.026 -17.199 -0.422 1.00 32.10 N ATOM 1320 CA TYR A 82 -3.246 -17.080 -1.277 1.00 54.04 C ATOM 1321 C TYR A 82 -2.956 -16.213 -2.507 1.00 4.21 C ATOM 1322 O TYR A 82 -2.171 -15.287 -2.460 1.00 24.10 O ATOM 1323 CB TYR A 82 -4.315 -16.404 -0.406 1.00 15.13 C ATOM 1324 CG TYR A 82 -4.125 -16.772 1.047 1.00 51.41 C ATOM 1325 CD1 TYR A 82 -3.146 -16.123 1.807 1.00 35.00 C ATOM 1326 CD2 TYR A 82 -4.924 -17.761 1.631 1.00 24.04 C ATOM 1327 CE1 TYR A 82 -2.966 -16.463 3.152 1.00 33.25 C ATOM 1328 CE2 TYR A 82 -4.744 -18.102 2.977 1.00 34.23 C ATOM 1329 CZ TYR A 82 -3.763 -17.452 3.737 1.00 41.34 C ATOM 1330 OH TYR A 82 -3.586 -17.787 5.065 1.00 31.25 O ATOM 0 H TYR A 82 -1.377 -16.414 -0.477 1.00 32.10 H new ATOM 0 HA TYR A 82 -3.573 -18.057 -1.632 1.00 54.04 H new ATOM 0 HB2 TYR A 82 -4.257 -15.322 -0.524 1.00 15.13 H new ATOM 0 HB3 TYR A 82 -5.308 -16.708 -0.737 1.00 15.13 H new ATOM 0 HD1 TYR A 82 -2.529 -15.360 1.356 1.00 35.00 H new ATOM 0 HD2 TYR A 82 -5.680 -18.261 1.044 1.00 24.04 H new ATOM 0 HE1 TYR A 82 -2.211 -15.961 3.739 1.00 33.25 H new ATOM 0 HE2 TYR A 82 -5.361 -18.865 3.429 1.00 34.23 H new ATOM 0 HH TYR A 82 -4.222 -18.491 5.312 1.00 31.25 H new ATOM 1340 N TYR A 83 -3.604 -16.501 -3.602 1.00 73.14 N ATOM 1341 CA TYR A 83 -3.394 -15.692 -4.837 1.00 41.22 C ATOM 1342 C TYR A 83 -4.714 -15.578 -5.602 1.00 63.21 C ATOM 1343 O TYR A 83 -5.356 -16.565 -5.901 1.00 50.01 O ATOM 1344 CB TYR A 83 -2.353 -16.458 -5.653 1.00 25.14 C ATOM 1345 CG TYR A 83 -2.089 -15.726 -6.947 1.00 41.11 C ATOM 1346 CD1 TYR A 83 -3.023 -15.782 -7.986 1.00 44.51 C ATOM 1347 CD2 TYR A 83 -0.907 -14.991 -7.109 1.00 60.24 C ATOM 1348 CE1 TYR A 83 -2.778 -15.103 -9.187 1.00 54.13 C ATOM 1349 CE2 TYR A 83 -0.662 -14.312 -8.306 1.00 2.23 C ATOM 1350 CZ TYR A 83 -1.597 -14.370 -9.346 1.00 53.21 C ATOM 1351 OH TYR A 83 -1.353 -13.702 -10.529 1.00 1.14 O ATOM 0 H TYR A 83 -4.273 -17.265 -3.695 1.00 73.14 H new ATOM 0 HA TYR A 83 -3.057 -14.678 -4.622 1.00 41.22 H new ATOM 0 HB2 TYR A 83 -1.429 -16.556 -5.083 1.00 25.14 H new ATOM 0 HB3 TYR A 83 -2.708 -17.467 -5.860 1.00 25.14 H new ATOM 0 HD1 TYR A 83 -3.934 -16.349 -7.863 1.00 44.51 H new ATOM 0 HD2 TYR A 83 -0.184 -14.949 -6.308 1.00 60.24 H new ATOM 0 HE1 TYR A 83 -3.500 -15.145 -9.989 1.00 54.13 H new ATOM 0 HE2 TYR A 83 0.248 -13.743 -8.428 1.00 2.23 H new ATOM 0 HH TYR A 83 -0.489 -13.242 -10.473 1.00 1.14 H new ATOM 1361 N LEU A 84 -5.135 -14.383 -5.905 1.00 63.30 N ATOM 1362 CA LEU A 84 -6.426 -14.213 -6.631 1.00 3.33 C ATOM 1363 C LEU A 84 -6.187 -13.866 -8.101 1.00 54.23 C ATOM 1364 O LEU A 84 -5.408 -12.991 -8.426 1.00 3.22 O ATOM 1365 CB LEU A 84 -7.125 -13.056 -5.909 1.00 50.30 C ATOM 1366 CG LEU A 84 -8.480 -12.770 -6.562 1.00 70.25 C ATOM 1367 CD1 LEU A 84 -9.187 -14.082 -6.904 1.00 41.22 C ATOM 1368 CD2 LEU A 84 -9.346 -11.966 -5.588 1.00 23.14 C ATOM 0 H LEU A 84 -4.643 -13.517 -5.683 1.00 63.30 H new ATOM 0 HA LEU A 84 -7.022 -15.126 -6.628 1.00 3.33 H new ATOM 0 HB2 LEU A 84 -7.265 -13.305 -4.857 1.00 50.30 H new ATOM 0 HB3 LEU A 84 -6.500 -12.164 -5.945 1.00 50.30 H new ATOM 0 HG LEU A 84 -8.324 -12.202 -7.479 1.00 70.25 H new ATOM 0 HD11 LEU A 84 -10.150 -13.866 -7.368 1.00 41.22 H new ATOM 0 HD12 LEU A 84 -8.572 -14.657 -7.596 1.00 41.22 H new ATOM 0 HD13 LEU A 84 -9.345 -14.659 -5.993 1.00 41.22 H new ATOM 0 HD21 LEU A 84 -10.313 -11.759 -6.047 1.00 23.14 H new ATOM 0 HD22 LEU A 84 -9.494 -12.540 -4.673 1.00 23.14 H new ATOM 0 HD23 LEU A 84 -8.848 -11.026 -5.350 1.00 23.14 H new ATOM 1380 N GLN A 85 -6.859 -14.545 -8.990 1.00 14.40 N ATOM 1381 CA GLN A 85 -6.681 -14.256 -10.440 1.00 11.20 C ATOM 1382 C GLN A 85 -7.915 -13.524 -10.982 1.00 60.24 C ATOM 1383 O GLN A 85 -9.038 -13.956 -10.794 1.00 75.24 O ATOM 1384 CB GLN A 85 -6.514 -15.628 -11.106 1.00 41.23 C ATOM 1385 CG GLN A 85 -7.881 -16.302 -11.257 1.00 63.41 C ATOM 1386 CD GLN A 85 -8.506 -15.942 -12.610 1.00 40.30 C ATOM 1387 OE1 GLN A 85 -9.468 -16.559 -13.026 1.00 61.41 O ATOM 1388 NE2 GLN A 85 -8.007 -14.965 -13.320 1.00 63.01 N ATOM 0 H GLN A 85 -7.524 -15.288 -8.774 1.00 14.40 H new ATOM 0 HA GLN A 85 -5.823 -13.613 -10.636 1.00 11.20 H new ATOM 0 HB2 GLN A 85 -6.045 -15.513 -12.083 1.00 41.23 H new ATOM 0 HB3 GLN A 85 -5.853 -16.255 -10.507 1.00 41.23 H new ATOM 0 HG2 GLN A 85 -7.772 -17.383 -11.176 1.00 63.41 H new ATOM 0 HG3 GLN A 85 -8.541 -15.987 -10.449 1.00 63.41 H new ATOM 0 HE21 GLN A 85 -7.200 -14.445 -12.975 1.00 63.01 H new ATOM 0 HE22 GLN A 85 -8.424 -14.723 -14.219 1.00 63.01 H new ATOM 1397 N LEU A 86 -7.710 -12.416 -11.650 1.00 64.41 N ATOM 1398 CA LEU A 86 -8.864 -11.647 -12.202 1.00 33.51 C ATOM 1399 C LEU A 86 -8.720 -11.484 -13.721 1.00 71.22 C ATOM 1400 O LEU A 86 -7.684 -11.077 -14.207 1.00 71.13 O ATOM 1401 CB LEU A 86 -8.789 -10.282 -11.509 1.00 44.51 C ATOM 1402 CG LEU A 86 -10.197 -9.805 -11.144 1.00 43.04 C ATOM 1403 CD1 LEU A 86 -10.977 -9.487 -12.422 1.00 44.15 C ATOM 1404 CD2 LEU A 86 -10.920 -10.901 -10.361 1.00 21.52 C ATOM 0 H LEU A 86 -6.792 -12.012 -11.836 1.00 64.41 H new ATOM 0 HA LEU A 86 -9.816 -12.148 -12.027 1.00 33.51 H new ATOM 0 HB2 LEU A 86 -8.176 -10.354 -10.611 1.00 44.51 H new ATOM 0 HB3 LEU A 86 -8.309 -9.557 -12.166 1.00 44.51 H new ATOM 0 HG LEU A 86 -10.128 -8.907 -10.530 1.00 43.04 H new ATOM 0 HD11 LEU A 86 -11.979 -9.147 -12.161 1.00 44.15 H new ATOM 0 HD12 LEU A 86 -10.461 -8.704 -12.977 1.00 44.15 H new ATOM 0 HD13 LEU A 86 -11.046 -10.383 -13.038 1.00 44.15 H new ATOM 0 HD21 LEU A 86 -11.923 -10.561 -10.101 1.00 21.52 H new ATOM 0 HD22 LEU A 86 -10.989 -11.800 -10.973 1.00 21.52 H new ATOM 0 HD23 LEU A 86 -10.365 -11.124 -9.450 1.00 21.52 H new