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 Set 1.1: A 16 CYS SG : rot 98:sc= -1.56! USER MOD Set 1.2: A 74 LYS NZ :NH3+ 176:sc= -1.2 (180deg=-1.23) USER MOD Single : A 19 TYR OH : rot 170:sc= -5.04! USER MOD Single : A 21 SER OG : rot -57:sc= -0.146! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -113:sc= -1.58 (180deg=-5.43!) USER MOD Single : A 26 GLN : amide:sc= -0.887 K(o=-0.89,f=-0.15) USER MOD Single : A 27 THR OG1 : rot 70:sc= -3.66! 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= -7.07! (180deg=-7.07!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.79! K(o=-2.8!,f=-1.5) USER MOD Single : A 52 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.8!) USER MOD Single : A 55 MET CE :methyl 142:sc= -0.211 (180deg=-1.47!) USER MOD Single : A 67 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.02) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -9.73! C(o=-9.7!,f=-6.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.633 K(o=-0.63,f=-0.08) 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= -8.38! C(o=-8.4!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.989 -28.506 -4.099 1.00 21.21 N ATOM 215 CA PHE A 15 -0.461 -28.633 -4.421 1.00 23.15 C ATOM 216 C PHE A 15 -1.175 -27.304 -4.148 1.00 64.22 C ATOM 217 O PHE A 15 -0.838 -26.587 -3.226 1.00 72.31 O ATOM 218 CB PHE A 15 -0.972 -29.736 -3.485 1.00 71.44 C ATOM 219 CG PHE A 15 -2.467 -29.613 -3.308 1.00 14.23 C ATOM 220 CD1 PHE A 15 -2.991 -28.627 -2.465 1.00 51.02 C ATOM 221 CD2 PHE A 15 -3.328 -30.484 -3.985 1.00 32.33 C ATOM 222 CE1 PHE A 15 -4.375 -28.510 -2.296 1.00 31.54 C ATOM 223 CE2 PHE A 15 -4.712 -30.367 -3.818 1.00 23.51 C ATOM 224 CZ PHE A 15 -5.236 -29.382 -2.973 1.00 2.14 C ATOM 0 HA PHE A 15 -0.642 -28.876 -5.468 1.00 23.15 H new ATOM 0 HB2 PHE A 15 -0.726 -30.715 -3.895 1.00 71.44 H new ATOM 0 HB3 PHE A 15 -0.476 -29.662 -2.517 1.00 71.44 H new ATOM 0 HD1 PHE A 15 -2.326 -27.955 -1.944 1.00 51.02 H new ATOM 0 HD2 PHE A 15 -2.924 -31.246 -4.636 1.00 32.33 H new ATOM 0 HE1 PHE A 15 -4.778 -27.749 -1.645 1.00 31.54 H new ATOM 0 HE2 PHE A 15 -5.377 -31.038 -4.342 1.00 23.51 H new ATOM 0 HZ PHE A 15 -6.305 -29.295 -2.843 1.00 2.14 H new ATOM 234 N CYS A 16 -2.156 -26.970 -4.940 1.00 14.45 N ATOM 235 CA CYS A 16 -2.884 -25.687 -4.721 1.00 41.33 C ATOM 236 C CYS A 16 -4.379 -25.870 -5.006 1.00 13.52 C ATOM 237 O CYS A 16 -4.771 -26.712 -5.788 1.00 73.23 O ATOM 238 CB CYS A 16 -2.266 -24.704 -5.716 1.00 41.43 C ATOM 239 SG CYS A 16 -0.461 -24.771 -5.585 1.00 13.42 S ATOM 0 H CYS A 16 -2.485 -27.528 -5.728 1.00 14.45 H new ATOM 0 HA CYS A 16 -2.797 -25.335 -3.693 1.00 41.33 H new ATOM 0 HB2 CYS A 16 -2.578 -24.952 -6.731 1.00 41.43 H new ATOM 0 HB3 CYS A 16 -2.619 -23.693 -5.513 1.00 41.43 H new ATOM 0 HG CYS A 16 0.013 -25.542 -6.518 1.00 13.42 H new ATOM 245 N VAL A 17 -5.212 -25.087 -4.376 1.00 3.31 N ATOM 246 CA VAL A 17 -6.679 -25.219 -4.614 1.00 10.21 C ATOM 247 C VAL A 17 -7.204 -23.992 -5.367 1.00 25.32 C ATOM 248 O VAL A 17 -6.877 -22.868 -5.043 1.00 14.33 O ATOM 249 CB VAL A 17 -7.313 -25.298 -3.222 1.00 44.43 C ATOM 250 CG1 VAL A 17 -8.718 -25.891 -3.336 1.00 55.10 C ATOM 251 CG2 VAL A 17 -6.461 -26.190 -2.313 1.00 13.23 C ATOM 0 H VAL A 17 -4.942 -24.364 -3.709 1.00 3.31 H new ATOM 0 HA VAL A 17 -6.916 -26.095 -5.218 1.00 10.21 H new ATOM 0 HB VAL A 17 -7.369 -24.296 -2.796 1.00 44.43 H new ATOM 0 HG11 VAL A 17 -9.170 -25.948 -2.346 1.00 55.10 H new ATOM 0 HG12 VAL A 17 -9.329 -25.257 -3.978 1.00 55.10 H new ATOM 0 HG13 VAL A 17 -8.657 -26.891 -3.765 1.00 55.10 H new ATOM 0 HG21 VAL A 17 -6.917 -26.243 -1.324 1.00 13.23 H new ATOM 0 HG22 VAL A 17 -6.401 -27.192 -2.739 1.00 13.23 H new ATOM 0 HG23 VAL A 17 -5.458 -25.771 -2.229 1.00 13.23 H new ATOM 261 N ILE A 18 -8.016 -24.200 -6.367 1.00 70.43 N ATOM 262 CA ILE A 18 -8.559 -23.041 -7.135 1.00 50.02 C ATOM 263 C ILE A 18 -10.023 -22.799 -6.760 1.00 64.00 C ATOM 264 O ILE A 18 -10.905 -23.546 -7.137 1.00 70.33 O ATOM 265 CB ILE A 18 -8.439 -23.442 -8.607 1.00 43.33 C ATOM 266 CG1 ILE A 18 -6.981 -23.315 -9.055 1.00 12.23 C ATOM 267 CG2 ILE A 18 -9.314 -22.521 -9.458 1.00 31.04 C ATOM 268 CD1 ILE A 18 -6.375 -24.707 -9.236 1.00 3.14 C ATOM 0 H ILE A 18 -8.327 -25.118 -6.685 1.00 70.43 H new ATOM 0 HA ILE A 18 -8.020 -22.118 -6.923 1.00 50.02 H new ATOM 0 HB ILE A 18 -8.768 -24.474 -8.730 1.00 43.33 H new ATOM 0 HG12 ILE A 18 -6.925 -22.759 -9.991 1.00 12.23 H new ATOM 0 HG13 ILE A 18 -6.411 -22.753 -8.315 1.00 12.23 H new ATOM 0 HG21 ILE A 18 -9.229 -22.806 -10.507 1.00 31.04 H new ATOM 0 HG22 ILE A 18 -10.353 -22.610 -9.140 1.00 31.04 H new ATOM 0 HG23 ILE A 18 -8.984 -21.489 -9.334 1.00 31.04 H new ATOM 0 HD11 ILE A 18 -5.337 -24.613 -9.555 1.00 3.14 H new ATOM 0 HD12 ILE A 18 -6.417 -25.248 -8.290 1.00 3.14 H new ATOM 0 HD13 ILE A 18 -6.939 -25.254 -9.992 1.00 3.14 H new ATOM 280 N TYR A 19 -10.288 -21.757 -6.021 1.00 24.22 N ATOM 281 CA TYR A 19 -11.694 -21.459 -5.622 1.00 33.24 C ATOM 282 C TYR A 19 -12.359 -20.564 -6.667 1.00 43.15 C ATOM 283 O TYR A 19 -11.700 -19.948 -7.481 1.00 51.12 O ATOM 284 CB TYR A 19 -11.578 -20.711 -4.295 1.00 62.13 C ATOM 285 CG TYR A 19 -11.294 -21.685 -3.177 1.00 33.11 C ATOM 286 CD1 TYR A 19 -9.998 -22.182 -2.994 1.00 22.41 C ATOM 287 CD2 TYR A 19 -12.326 -22.088 -2.321 1.00 43.14 C ATOM 288 CE1 TYR A 19 -9.733 -23.080 -1.955 1.00 65.42 C ATOM 289 CE2 TYR A 19 -12.061 -22.986 -1.281 1.00 12.42 C ATOM 290 CZ TYR A 19 -10.764 -23.482 -1.098 1.00 51.34 C ATOM 291 OH TYR A 19 -10.504 -24.367 -0.072 1.00 62.42 O ATOM 0 H TYR A 19 -9.591 -21.098 -5.675 1.00 24.22 H new ATOM 0 HA TYR A 19 -12.297 -22.363 -5.537 1.00 33.24 H new ATOM 0 HB2 TYR A 19 -10.781 -19.970 -4.354 1.00 62.13 H new ATOM 0 HB3 TYR A 19 -12.502 -20.170 -4.091 1.00 62.13 H new ATOM 0 HD1 TYR A 19 -9.203 -21.872 -3.655 1.00 22.41 H new ATOM 0 HD2 TYR A 19 -13.326 -21.706 -2.463 1.00 43.14 H new ATOM 0 HE1 TYR A 19 -8.733 -23.463 -1.814 1.00 65.42 H new ATOM 0 HE2 TYR A 19 -12.856 -23.297 -0.620 1.00 12.42 H new ATOM 0 HH TYR A 19 -11.282 -24.417 0.522 1.00 62.42 H new ATOM 301 N ARG A 20 -13.661 -20.477 -6.645 1.00 14.24 N ATOM 302 CA ARG A 20 -14.360 -19.608 -7.630 1.00 11.33 C ATOM 303 C ARG A 20 -15.380 -18.718 -6.915 1.00 22.40 C ATOM 304 O ARG A 20 -16.057 -19.139 -5.999 1.00 64.43 O ATOM 305 CB ARG A 20 -15.051 -20.569 -8.605 1.00 53.41 C ATOM 306 CG ARG A 20 -16.270 -21.218 -7.940 1.00 20.24 C ATOM 307 CD ARG A 20 -17.179 -21.805 -9.021 1.00 2.52 C ATOM 308 NE ARG A 20 -18.233 -22.548 -8.276 1.00 41.01 N ATOM 309 CZ ARG A 20 -19.165 -23.183 -8.930 1.00 61.14 C ATOM 310 NH1 ARG A 20 -19.020 -23.418 -10.207 1.00 63.34 N ATOM 311 NH2 ARG A 20 -20.240 -23.584 -8.310 1.00 3.40 N ATOM 0 H ARG A 20 -14.268 -20.969 -5.989 1.00 14.24 H new ATOM 0 HA ARG A 20 -13.674 -18.941 -8.153 1.00 11.33 H new ATOM 0 HB2 ARG A 20 -15.361 -20.029 -9.500 1.00 53.41 H new ATOM 0 HB3 ARG A 20 -14.350 -21.340 -8.925 1.00 53.41 H new ATOM 0 HG2 ARG A 20 -15.950 -22.001 -7.252 1.00 20.24 H new ATOM 0 HG3 ARG A 20 -16.815 -20.480 -7.352 1.00 20.24 H new ATOM 0 HD2 ARG A 20 -17.613 -21.020 -9.641 1.00 2.52 H new ATOM 0 HD3 ARG A 20 -16.625 -22.467 -9.686 1.00 2.52 H new ATOM 0 HE ARG A 20 -18.226 -22.560 -7.256 1.00 41.01 H new ATOM 0 HH11 ARG A 20 -18.178 -23.105 -10.691 1.00 63.34 H new ATOM 0 HH12 ARG A 20 -19.748 -23.915 -10.720 1.00 63.34 H new ATOM 0 HH21 ARG A 20 -20.352 -23.401 -7.313 1.00 3.40 H new ATOM 0 HH22 ARG A 20 -20.969 -24.081 -8.822 1.00 3.40 H new ATOM 325 N SER A 21 -15.485 -17.484 -7.323 1.00 74.11 N ATOM 326 CA SER A 21 -16.453 -16.561 -6.666 1.00 1.15 C ATOM 327 C SER A 21 -17.886 -16.903 -7.086 1.00 13.23 C ATOM 328 O SER A 21 -18.161 -17.151 -8.245 1.00 74.01 O ATOM 329 CB SER A 21 -16.068 -15.170 -7.166 1.00 70.15 C ATOM 330 OG SER A 21 -14.754 -14.859 -6.724 1.00 74.04 O ATOM 0 H SER A 21 -14.942 -17.074 -8.083 1.00 74.11 H new ATOM 0 HA SER A 21 -16.418 -16.632 -5.579 1.00 1.15 H new ATOM 0 HB2 SER A 21 -16.115 -15.136 -8.254 1.00 70.15 H new ATOM 0 HB3 SER A 21 -16.775 -14.429 -6.793 1.00 70.15 H new ATOM 0 HG SER A 21 -14.716 -14.914 -5.746 1.00 74.04 H new ATOM 336 N SER A 22 -18.802 -16.915 -6.156 1.00 1.34 N ATOM 337 CA SER A 22 -20.213 -17.238 -6.503 1.00 15.22 C ATOM 338 C SER A 22 -20.708 -16.303 -7.609 1.00 35.22 C ATOM 339 O SER A 22 -21.375 -16.716 -8.537 1.00 65.12 O ATOM 340 CB SER A 22 -21.004 -17.010 -5.214 1.00 32.21 C ATOM 341 OG SER A 22 -20.926 -18.175 -4.404 1.00 10.34 O ATOM 0 H SER A 22 -18.633 -16.715 -5.170 1.00 1.34 H new ATOM 0 HA SER A 22 -20.325 -18.258 -6.872 1.00 15.22 H new ATOM 0 HB2 SER A 22 -20.604 -16.151 -4.675 1.00 32.21 H new ATOM 0 HB3 SER A 22 -22.045 -16.784 -5.447 1.00 32.21 H new ATOM 0 HG SER A 22 -21.430 -18.032 -3.576 1.00 10.34 H new ATOM 347 N LYS A 23 -20.383 -15.043 -7.517 1.00 22.11 N ATOM 348 CA LYS A 23 -20.828 -14.078 -8.562 1.00 5.11 C ATOM 349 C LYS A 23 -19.768 -12.991 -8.753 1.00 62.13 C ATOM 350 O LYS A 23 -19.738 -12.007 -8.039 1.00 50.23 O ATOM 351 CB LYS A 23 -22.126 -13.476 -8.022 1.00 10.15 C ATOM 352 CG LYS A 23 -21.899 -12.962 -6.601 1.00 4.24 C ATOM 353 CD LYS A 23 -22.474 -13.966 -5.599 1.00 14.33 C ATOM 354 CE LYS A 23 -22.077 -13.556 -4.178 1.00 35.32 C ATOM 355 NZ LYS A 23 -20.633 -13.901 -4.056 1.00 12.01 N ATOM 0 H LYS A 23 -19.828 -14.639 -6.762 1.00 22.11 H new ATOM 0 HA LYS A 23 -20.977 -14.554 -9.531 1.00 5.11 H new ATOM 0 HB2 LYS A 23 -22.457 -12.661 -8.666 1.00 10.15 H new ATOM 0 HB3 LYS A 23 -22.916 -14.226 -8.026 1.00 10.15 H new ATOM 0 HG2 LYS A 23 -20.834 -12.820 -6.420 1.00 4.24 H new ATOM 0 HG3 LYS A 23 -22.376 -11.990 -6.473 1.00 4.24 H new ATOM 0 HD2 LYS A 23 -23.560 -14.003 -5.688 1.00 14.33 H new ATOM 0 HD3 LYS A 23 -22.102 -14.967 -5.817 1.00 14.33 H new ATOM 0 HE2 LYS A 23 -22.242 -12.491 -4.016 1.00 35.32 H new ATOM 0 HE3 LYS A 23 -22.672 -14.087 -3.435 1.00 35.32 H new ATOM 0 HZ1 LYS A 23 -20.517 -14.673 -3.368 1.00 12.01 H new ATOM 0 HZ2 LYS A 23 -20.269 -14.205 -4.982 1.00 12.01 H new ATOM 0 HZ3 LYS A 23 -20.103 -13.067 -3.732 1.00 12.01 H new ATOM 369 N ARG A 24 -18.898 -13.161 -9.708 1.00 25.24 N ATOM 370 CA ARG A 24 -17.839 -12.139 -9.942 1.00 21.24 C ATOM 371 C ARG A 24 -17.330 -12.224 -11.384 1.00 30.45 C ATOM 372 O ARG A 24 -17.849 -12.971 -12.191 1.00 3.21 O ATOM 373 CB ARG A 24 -16.726 -12.495 -8.959 1.00 54.14 C ATOM 374 CG ARG A 24 -16.653 -11.433 -7.860 1.00 2.25 C ATOM 375 CD ARG A 24 -15.255 -10.807 -7.846 1.00 33.22 C ATOM 376 NE ARG A 24 -15.485 -9.354 -8.084 1.00 10.00 N ATOM 377 CZ ARG A 24 -14.469 -8.539 -8.165 1.00 10.13 C ATOM 378 NH1 ARG A 24 -13.290 -8.923 -7.762 1.00 14.10 N ATOM 379 NH2 ARG A 24 -14.634 -7.341 -8.653 1.00 12.53 N ATOM 0 H ARG A 24 -18.874 -13.963 -10.337 1.00 25.24 H new ATOM 0 HA ARG A 24 -18.205 -11.123 -9.795 1.00 21.24 H new ATOM 0 HB2 ARG A 24 -16.914 -13.475 -8.520 1.00 54.14 H new ATOM 0 HB3 ARG A 24 -15.772 -12.558 -9.482 1.00 54.14 H new ATOM 0 HG2 ARG A 24 -17.406 -10.664 -8.032 1.00 2.25 H new ATOM 0 HG3 ARG A 24 -16.872 -11.882 -6.891 1.00 2.25 H new ATOM 0 HD2 ARG A 24 -14.755 -10.977 -6.892 1.00 33.22 H new ATOM 0 HD3 ARG A 24 -14.621 -11.239 -8.620 1.00 33.22 H new ATOM 0 HE ARG A 24 -16.435 -8.997 -8.183 1.00 10.00 H new ATOM 0 HH11 ARG A 24 -13.161 -9.861 -7.383 1.00 14.10 H new ATOM 0 HH12 ARG A 24 -12.497 -8.285 -7.826 1.00 14.10 H new ATOM 0 HH21 ARG A 24 -15.556 -7.042 -8.971 1.00 12.53 H new ATOM 0 HH22 ARG A 24 -13.841 -6.703 -8.717 1.00 12.53 H new ATOM 393 N ASP A 25 -16.316 -11.473 -11.712 1.00 31.44 N ATOM 394 CA ASP A 25 -15.774 -11.519 -13.100 1.00 3.42 C ATOM 395 C ASP A 25 -14.841 -12.722 -13.257 1.00 44.41 C ATOM 396 O ASP A 25 -13.661 -12.579 -13.509 1.00 21.14 O ATOM 397 CB ASP A 25 -14.999 -10.212 -13.266 1.00 61.15 C ATOM 398 CG ASP A 25 -15.668 -9.354 -14.342 1.00 33.33 C ATOM 399 OD1 ASP A 25 -16.884 -9.392 -14.433 1.00 53.24 O ATOM 400 OD2 ASP A 25 -14.952 -8.673 -15.059 1.00 41.40 O ATOM 0 H ASP A 25 -15.839 -10.830 -11.080 1.00 31.44 H new ATOM 0 HA ASP A 25 -16.558 -11.623 -13.850 1.00 3.42 H new ATOM 0 HB2 ASP A 25 -14.971 -9.671 -12.320 1.00 61.15 H new ATOM 0 HB3 ASP A 25 -13.966 -10.422 -13.544 1.00 61.15 H new ATOM 405 N GLN A 26 -15.362 -13.910 -13.104 1.00 64.44 N ATOM 406 CA GLN A 26 -14.505 -15.122 -13.237 1.00 50.01 C ATOM 407 C GLN A 26 -13.309 -15.019 -12.287 1.00 32.11 C ATOM 408 O GLN A 26 -12.178 -15.258 -12.668 1.00 1.25 O ATOM 409 CB GLN A 26 -14.040 -15.124 -14.694 1.00 25.12 C ATOM 410 CG GLN A 26 -14.537 -16.393 -15.387 1.00 14.13 C ATOM 411 CD GLN A 26 -15.283 -16.018 -16.670 1.00 70.00 C ATOM 412 OE1 GLN A 26 -16.228 -16.681 -17.055 1.00 74.51 O ATOM 413 NE2 GLN A 26 -14.897 -14.976 -17.353 1.00 33.25 N ATOM 0 H GLN A 26 -16.343 -14.093 -12.893 1.00 64.44 H new ATOM 0 HA GLN A 26 -15.037 -16.039 -12.984 1.00 50.01 H new ATOM 0 HB2 GLN A 26 -14.421 -14.242 -15.210 1.00 25.12 H new ATOM 0 HB3 GLN A 26 -12.952 -15.074 -14.740 1.00 25.12 H new ATOM 0 HG2 GLN A 26 -13.696 -17.045 -15.621 1.00 14.13 H new ATOM 0 HG3 GLN A 26 -15.196 -16.949 -14.720 1.00 14.13 H new ATOM 0 HE21 GLN A 26 -14.105 -14.420 -17.031 1.00 33.25 H new ATOM 0 HE22 GLN A 26 -15.387 -14.717 -18.209 1.00 33.25 H new ATOM 422 N THR A 27 -13.551 -14.662 -11.055 1.00 44.12 N ATOM 423 CA THR A 27 -12.432 -14.540 -10.076 1.00 72.32 C ATOM 424 C THR A 27 -12.143 -15.896 -9.428 1.00 53.25 C ATOM 425 O THR A 27 -13.043 -16.650 -9.115 1.00 0.40 O ATOM 426 CB THR A 27 -12.935 -13.544 -9.027 1.00 53.41 C ATOM 427 OG1 THR A 27 -13.026 -12.251 -9.608 1.00 50.32 O ATOM 428 CG2 THR A 27 -11.964 -13.510 -7.845 1.00 43.23 C ATOM 0 H THR A 27 -14.477 -14.449 -10.683 1.00 44.12 H new ATOM 0 HA THR A 27 -11.506 -14.210 -10.547 1.00 72.32 H new ATOM 0 HB THR A 27 -13.919 -13.853 -8.675 1.00 53.41 H new ATOM 0 HG1 THR A 27 -13.762 -12.234 -10.255 1.00 50.32 H new ATOM 0 HG21 THR A 27 -12.323 -12.801 -7.099 1.00 43.23 H new ATOM 0 HG22 THR A 27 -11.898 -14.503 -7.400 1.00 43.23 H new ATOM 0 HG23 THR A 27 -10.978 -13.202 -8.193 1.00 43.23 H new ATOM 436 N TYR A 28 -10.891 -16.208 -9.224 1.00 43.13 N ATOM 437 CA TYR A 28 -10.546 -17.517 -8.593 1.00 71.41 C ATOM 438 C TYR A 28 -9.480 -17.321 -7.510 1.00 54.33 C ATOM 439 O TYR A 28 -8.566 -16.534 -7.658 1.00 14.23 O ATOM 440 CB TYR A 28 -9.997 -18.378 -9.731 1.00 10.03 C ATOM 441 CG TYR A 28 -11.121 -18.761 -10.666 1.00 14.11 C ATOM 442 CD1 TYR A 28 -11.704 -17.791 -11.489 1.00 15.32 C ATOM 443 CD2 TYR A 28 -11.573 -20.083 -10.712 1.00 23.14 C ATOM 444 CE1 TYR A 28 -12.745 -18.146 -12.357 1.00 32.23 C ATOM 445 CE2 TYR A 28 -12.613 -20.438 -11.579 1.00 33.12 C ATOM 446 CZ TYR A 28 -13.198 -19.469 -12.403 1.00 12.53 C ATOM 447 OH TYR A 28 -14.220 -19.817 -13.261 1.00 24.42 O ATOM 0 H TYR A 28 -10.095 -15.617 -9.465 1.00 43.13 H new ATOM 0 HA TYR A 28 -11.408 -17.979 -8.112 1.00 71.41 H new ATOM 0 HB2 TYR A 28 -9.228 -17.831 -10.276 1.00 10.03 H new ATOM 0 HB3 TYR A 28 -9.525 -19.274 -9.327 1.00 10.03 H new ATOM 0 HD1 TYR A 28 -11.352 -16.770 -11.455 1.00 15.32 H new ATOM 0 HD2 TYR A 28 -11.120 -20.831 -10.078 1.00 23.14 H new ATOM 0 HE1 TYR A 28 -13.198 -17.398 -12.991 1.00 32.23 H new ATOM 0 HE2 TYR A 28 -12.964 -21.459 -11.612 1.00 33.12 H new ATOM 0 HH TYR A 28 -14.413 -20.774 -13.169 1.00 24.42 H new ATOM 457 N LEU A 29 -9.588 -18.036 -6.424 1.00 63.23 N ATOM 458 CA LEU A 29 -8.580 -17.894 -5.333 1.00 61.53 C ATOM 459 C LEU A 29 -7.641 -19.103 -5.326 1.00 14.10 C ATOM 460 O LEU A 29 -8.046 -20.216 -5.594 1.00 4.02 O ATOM 461 CB LEU A 29 -9.394 -17.841 -4.039 1.00 40.01 C ATOM 462 CG LEU A 29 -9.351 -16.423 -3.468 1.00 70.33 C ATOM 463 CD1 LEU A 29 -10.081 -16.388 -2.123 1.00 72.00 C ATOM 464 CD2 LEU A 29 -7.893 -16.002 -3.268 1.00 53.25 C ATOM 0 H LEU A 29 -10.330 -18.712 -6.244 1.00 63.23 H new ATOM 0 HA LEU A 29 -7.960 -17.006 -5.458 1.00 61.53 H new ATOM 0 HB2 LEU A 29 -10.425 -18.135 -4.233 1.00 40.01 H new ATOM 0 HB3 LEU A 29 -8.992 -18.549 -3.314 1.00 40.01 H new ATOM 0 HG LEU A 29 -9.839 -15.737 -4.161 1.00 70.33 H new ATOM 0 HD11 LEU A 29 -10.049 -15.377 -1.718 1.00 72.00 H new ATOM 0 HD12 LEU A 29 -11.119 -16.690 -2.264 1.00 72.00 H new ATOM 0 HD13 LEU A 29 -9.596 -17.073 -1.428 1.00 72.00 H new ATOM 0 HD21 LEU A 29 -7.859 -14.991 -2.861 1.00 53.25 H new ATOM 0 HD22 LEU A 29 -7.408 -16.689 -2.575 1.00 53.25 H new ATOM 0 HD23 LEU A 29 -7.373 -16.025 -4.226 1.00 53.25 H new ATOM 476 N TYR A 30 -6.391 -18.894 -5.018 1.00 10.10 N ATOM 477 CA TYR A 30 -5.431 -20.036 -4.992 1.00 73.21 C ATOM 478 C TYR A 30 -4.778 -20.146 -3.614 1.00 54.01 C ATOM 479 O TYR A 30 -4.383 -19.162 -3.020 1.00 5.03 O ATOM 480 CB TYR A 30 -4.389 -19.706 -6.058 1.00 32.44 C ATOM 481 CG TYR A 30 -5.022 -19.800 -7.426 1.00 52.05 C ATOM 482 CD1 TYR A 30 -5.859 -18.776 -7.881 1.00 53.01 C ATOM 483 CD2 TYR A 30 -4.771 -20.911 -8.239 1.00 53.25 C ATOM 484 CE1 TYR A 30 -6.446 -18.860 -9.148 1.00 50.22 C ATOM 485 CE2 TYR A 30 -5.357 -20.997 -9.508 1.00 51.02 C ATOM 486 CZ TYR A 30 -6.195 -19.971 -9.962 1.00 54.01 C ATOM 487 OH TYR A 30 -6.773 -20.056 -11.212 1.00 10.01 O ATOM 0 H TYR A 30 -5.992 -17.985 -4.784 1.00 10.10 H new ATOM 0 HA TYR A 30 -5.920 -20.990 -5.187 1.00 73.21 H new ATOM 0 HB2 TYR A 30 -3.993 -18.703 -5.897 1.00 32.44 H new ATOM 0 HB3 TYR A 30 -3.548 -20.396 -5.986 1.00 32.44 H new ATOM 0 HD1 TYR A 30 -6.052 -17.919 -7.253 1.00 53.01 H new ATOM 0 HD2 TYR A 30 -4.125 -21.702 -7.888 1.00 53.25 H new ATOM 0 HE1 TYR A 30 -7.092 -18.069 -9.498 1.00 50.22 H new ATOM 0 HE2 TYR A 30 -5.163 -21.854 -10.136 1.00 51.02 H new ATOM 0 HH TYR A 30 -6.494 -20.890 -11.645 1.00 10.01 H new ATOM 497 N VAL A 31 -4.664 -21.340 -3.101 1.00 14.21 N ATOM 498 CA VAL A 31 -4.036 -21.520 -1.758 1.00 50.25 C ATOM 499 C VAL A 31 -3.283 -22.846 -1.700 1.00 14.44 C ATOM 500 O VAL A 31 -3.591 -23.780 -2.414 1.00 22.24 O ATOM 501 CB VAL A 31 -5.194 -21.532 -0.746 1.00 24.22 C ATOM 502 CG1 VAL A 31 -5.452 -20.111 -0.250 1.00 14.25 C ATOM 503 CG2 VAL A 31 -6.469 -22.084 -1.395 1.00 32.31 C ATOM 0 H VAL A 31 -4.978 -22.199 -3.552 1.00 14.21 H new ATOM 0 HA VAL A 31 -3.321 -20.725 -1.544 1.00 50.25 H new ATOM 0 HB VAL A 31 -4.920 -22.173 0.092 1.00 24.22 H new ATOM 0 HG11 VAL A 31 -6.273 -20.119 0.467 1.00 14.25 H new ATOM 0 HG12 VAL A 31 -4.553 -19.725 0.231 1.00 14.25 H new ATOM 0 HG13 VAL A 31 -5.714 -19.473 -1.094 1.00 14.25 H new ATOM 0 HG21 VAL A 31 -7.278 -22.085 -0.664 1.00 32.31 H new ATOM 0 HG22 VAL A 31 -6.746 -21.457 -2.243 1.00 32.31 H new ATOM 0 HG23 VAL A 31 -6.290 -23.102 -1.740 1.00 32.31 H new ATOM 513 N GLU A 32 -2.301 -22.943 -0.847 1.00 50.51 N ATOM 514 CA GLU A 32 -1.540 -24.218 -0.737 1.00 54.31 C ATOM 515 C GLU A 32 -2.486 -25.332 -0.283 1.00 30.34 C ATOM 516 O GLU A 32 -2.209 -26.504 -0.439 1.00 62.23 O ATOM 517 CB GLU A 32 -0.466 -23.953 0.320 1.00 24.42 C ATOM 518 CG GLU A 32 -1.128 -23.438 1.599 1.00 44.32 C ATOM 519 CD GLU A 32 -0.150 -23.578 2.770 1.00 44.12 C ATOM 520 OE1 GLU A 32 -0.030 -24.675 3.287 1.00 21.32 O ATOM 521 OE2 GLU A 32 0.459 -22.584 3.126 1.00 35.01 O ATOM 0 H GLU A 32 -1.994 -22.197 -0.223 1.00 50.51 H new ATOM 0 HA GLU A 32 -1.098 -24.530 -1.683 1.00 54.31 H new ATOM 0 HB2 GLU A 32 0.089 -24.868 0.528 1.00 24.42 H new ATOM 0 HB3 GLU A 32 0.252 -23.222 -0.051 1.00 24.42 H new ATOM 0 HG2 GLU A 32 -1.419 -22.395 1.476 1.00 44.32 H new ATOM 0 HG3 GLU A 32 -2.039 -24.001 1.802 1.00 44.32 H new ATOM 528 N LYS A 33 -3.608 -24.961 0.270 1.00 20.02 N ATOM 529 CA LYS A 33 -4.597 -25.975 0.732 1.00 43.41 C ATOM 530 C LYS A 33 -5.971 -25.313 0.894 1.00 51.22 C ATOM 531 O LYS A 33 -6.097 -24.106 0.846 1.00 32.51 O ATOM 532 CB LYS A 33 -4.060 -26.479 2.078 1.00 53.24 C ATOM 533 CG LYS A 33 -4.452 -25.510 3.198 1.00 64.23 C ATOM 534 CD LYS A 33 -3.623 -25.812 4.449 1.00 34.22 C ATOM 535 CE LYS A 33 -4.377 -26.810 5.329 1.00 74.12 C ATOM 536 NZ LYS A 33 -3.316 -27.624 5.984 1.00 11.22 N ATOM 0 H LYS A 33 -3.884 -23.991 0.423 1.00 20.02 H new ATOM 0 HA LYS A 33 -4.721 -26.797 0.027 1.00 43.41 H new ATOM 0 HB2 LYS A 33 -4.459 -27.471 2.289 1.00 53.24 H new ATOM 0 HB3 LYS A 33 -2.975 -26.575 2.033 1.00 53.24 H new ATOM 0 HG2 LYS A 33 -4.285 -24.481 2.878 1.00 64.23 H new ATOM 0 HG3 LYS A 33 -5.515 -25.606 3.421 1.00 64.23 H new ATOM 0 HD2 LYS A 33 -2.653 -26.220 4.166 1.00 34.22 H new ATOM 0 HD3 LYS A 33 -3.433 -24.893 5.003 1.00 34.22 H new ATOM 0 HE2 LYS A 33 -4.994 -26.298 6.067 1.00 74.12 H new ATOM 0 HE3 LYS A 33 -5.044 -27.435 4.735 1.00 74.12 H new ATOM 0 HZ1 LYS A 33 -3.756 -28.333 6.605 1.00 11.22 H new ATOM 0 HZ2 LYS A 33 -2.749 -28.105 5.257 1.00 11.22 H new ATOM 0 HZ3 LYS A 33 -2.701 -27.003 6.548 1.00 11.22 H new ATOM 550 N LYS A 34 -6.998 -26.090 1.090 1.00 3.32 N ATOM 551 CA LYS A 34 -8.359 -25.498 1.256 1.00 33.11 C ATOM 552 C LYS A 34 -8.628 -25.207 2.734 1.00 42.24 C ATOM 553 O LYS A 34 -9.547 -25.745 3.323 1.00 71.43 O ATOM 554 CB LYS A 34 -9.326 -26.561 0.732 1.00 72.35 C ATOM 555 CG LYS A 34 -9.107 -27.872 1.487 1.00 22.15 C ATOM 556 CD LYS A 34 -10.462 -28.519 1.786 1.00 23.43 C ATOM 557 CE LYS A 34 -10.534 -29.890 1.106 1.00 63.10 C ATOM 558 NZ LYS A 34 -11.903 -29.959 0.525 1.00 21.43 N ATOM 0 H LYS A 34 -6.957 -27.108 1.143 1.00 3.32 H new ATOM 0 HA LYS A 34 -8.467 -24.555 0.720 1.00 33.11 H new ATOM 0 HB2 LYS A 34 -10.355 -26.225 0.858 1.00 72.35 H new ATOM 0 HB3 LYS A 34 -9.170 -26.714 -0.336 1.00 72.35 H new ATOM 0 HG2 LYS A 34 -8.492 -28.548 0.893 1.00 22.15 H new ATOM 0 HG3 LYS A 34 -8.568 -27.684 2.416 1.00 22.15 H new ATOM 0 HD2 LYS A 34 -10.596 -28.627 2.862 1.00 23.43 H new ATOM 0 HD3 LYS A 34 -11.269 -27.880 1.427 1.00 23.43 H new ATOM 0 HE2 LYS A 34 -9.772 -29.988 0.333 1.00 63.10 H new ATOM 0 HE3 LYS A 34 -10.368 -30.695 1.822 1.00 63.10 H new ATOM 0 HZ1 LYS A 34 -12.029 -30.871 0.041 1.00 21.43 H new ATOM 0 HZ2 LYS A 34 -12.607 -29.870 1.285 1.00 21.43 H new ATOM 0 HZ3 LYS A 34 -12.030 -29.185 -0.158 1.00 21.43 H new ATOM 572 N ASP A 35 -7.834 -24.367 3.345 1.00 22.13 N ATOM 573 CA ASP A 35 -8.052 -24.059 4.788 1.00 50.30 C ATOM 574 C ASP A 35 -8.869 -22.775 4.956 1.00 31.14 C ATOM 575 O ASP A 35 -10.021 -22.808 5.338 1.00 40.31 O ATOM 576 CB ASP A 35 -6.647 -23.873 5.365 1.00 44.30 C ATOM 577 CG ASP A 35 -6.743 -23.613 6.870 1.00 11.44 C ATOM 578 OD1 ASP A 35 -7.834 -23.331 7.333 1.00 73.52 O ATOM 579 OD2 ASP A 35 -5.724 -23.703 7.531 1.00 54.31 O ATOM 0 H ASP A 35 -7.048 -23.884 2.910 1.00 22.13 H new ATOM 0 HA ASP A 35 -8.608 -24.849 5.292 1.00 50.30 H new ATOM 0 HB2 ASP A 35 -6.044 -24.762 5.177 1.00 44.30 H new ATOM 0 HB3 ASP A 35 -6.148 -23.039 4.872 1.00 44.30 H new ATOM 584 N ASP A 36 -8.281 -21.642 4.682 1.00 63.33 N ATOM 585 CA ASP A 36 -9.031 -20.363 4.835 1.00 64.51 C ATOM 586 C ASP A 36 -8.279 -19.216 4.161 1.00 61.10 C ATOM 587 O ASP A 36 -7.148 -19.356 3.740 1.00 51.32 O ATOM 588 CB ASP A 36 -9.106 -20.119 6.341 1.00 52.31 C ATOM 589 CG ASP A 36 -10.351 -20.797 6.913 1.00 40.20 C ATOM 590 OD1 ASP A 36 -11.438 -20.467 6.468 1.00 44.14 O ATOM 591 OD2 ASP A 36 -10.197 -21.633 7.788 1.00 41.53 O ATOM 0 H ASP A 36 -7.318 -21.547 4.360 1.00 63.33 H new ATOM 0 HA ASP A 36 -10.017 -20.417 4.374 1.00 64.51 H new ATOM 0 HB2 ASP A 36 -8.212 -20.510 6.827 1.00 52.31 H new ATOM 0 HB3 ASP A 36 -9.138 -19.049 6.544 1.00 52.31 H new ATOM 596 N PHE A 37 -8.899 -18.076 4.075 1.00 43.53 N ATOM 597 CA PHE A 37 -8.230 -16.900 3.452 1.00 3.30 C ATOM 598 C PHE A 37 -8.213 -15.740 4.450 1.00 40.34 C ATOM 599 O PHE A 37 -9.199 -15.050 4.635 1.00 12.34 O ATOM 600 CB PHE A 37 -9.096 -16.557 2.243 1.00 3.51 C ATOM 601 CG PHE A 37 -8.775 -17.498 1.106 1.00 33.31 C ATOM 602 CD1 PHE A 37 -9.478 -18.702 0.973 1.00 71.05 C ATOM 603 CD2 PHE A 37 -7.770 -17.170 0.189 1.00 44.03 C ATOM 604 CE1 PHE A 37 -9.176 -19.576 -0.079 1.00 33.22 C ATOM 605 CE2 PHE A 37 -7.468 -18.043 -0.863 1.00 31.31 C ATOM 606 CZ PHE A 37 -8.170 -19.248 -0.997 1.00 61.04 C ATOM 0 H PHE A 37 -9.847 -17.905 4.411 1.00 43.53 H new ATOM 0 HA PHE A 37 -7.197 -17.099 3.166 1.00 3.30 H new ATOM 0 HB2 PHE A 37 -10.151 -16.634 2.505 1.00 3.51 H new ATOM 0 HB3 PHE A 37 -8.918 -15.526 1.936 1.00 3.51 H new ATOM 0 HD1 PHE A 37 -10.253 -18.956 1.681 1.00 71.05 H new ATOM 0 HD2 PHE A 37 -7.227 -16.242 0.293 1.00 44.03 H new ATOM 0 HE1 PHE A 37 -9.719 -20.504 -0.183 1.00 33.22 H new ATOM 0 HE2 PHE A 37 -6.694 -17.788 -1.571 1.00 31.31 H new ATOM 0 HZ PHE A 37 -7.936 -19.923 -1.807 1.00 61.04 H new ATOM 616 N SER A 38 -7.104 -15.518 5.101 1.00 24.20 N ATOM 617 CA SER A 38 -7.026 -14.401 6.088 1.00 21.52 C ATOM 618 C SER A 38 -6.076 -13.319 5.576 1.00 41.13 C ATOM 619 O SER A 38 -5.976 -12.246 6.138 1.00 73.11 O ATOM 620 CB SER A 38 -6.482 -15.043 7.368 1.00 72.35 C ATOM 621 OG SER A 38 -5.206 -14.487 7.672 1.00 52.42 O ATOM 0 H SER A 38 -6.248 -16.061 4.993 1.00 24.20 H new ATOM 0 HA SER A 38 -7.991 -13.922 6.256 1.00 21.52 H new ATOM 0 HB2 SER A 38 -7.171 -14.872 8.195 1.00 72.35 H new ATOM 0 HB3 SER A 38 -6.399 -16.122 7.240 1.00 72.35 H new ATOM 0 HG SER A 38 -4.858 -14.896 8.492 1.00 52.42 H new ATOM 627 N ARG A 39 -5.370 -13.603 4.522 1.00 34.21 N ATOM 628 CA ARG A 39 -4.410 -12.610 3.971 1.00 41.25 C ATOM 629 C ARG A 39 -5.071 -11.796 2.856 1.00 13.54 C ATOM 630 O ARG A 39 -4.618 -10.726 2.504 1.00 22.12 O ATOM 631 CB ARG A 39 -3.266 -13.460 3.424 1.00 34.21 C ATOM 632 CG ARG A 39 -1.926 -12.773 3.706 1.00 70.32 C ATOM 633 CD ARG A 39 -1.703 -11.635 2.708 1.00 62.23 C ATOM 634 NE ARG A 39 -0.536 -10.883 3.243 1.00 34.23 N ATOM 635 CZ ARG A 39 0.068 -9.998 2.499 1.00 44.02 C ATOM 636 NH1 ARG A 39 -0.621 -9.058 1.911 1.00 42.02 N ATOM 637 NH2 ARG A 39 1.362 -10.052 2.342 1.00 73.12 N ATOM 0 H ARG A 39 -5.416 -14.486 4.014 1.00 34.21 H new ATOM 0 HA ARG A 39 -4.069 -11.890 4.715 1.00 41.25 H new ATOM 0 HB2 ARG A 39 -3.282 -14.448 3.885 1.00 34.21 H new ATOM 0 HB3 ARG A 39 -3.391 -13.607 2.351 1.00 34.21 H new ATOM 0 HG2 ARG A 39 -1.915 -12.383 4.724 1.00 70.32 H new ATOM 0 HG3 ARG A 39 -1.114 -13.497 3.633 1.00 70.32 H new ATOM 0 HD2 ARG A 39 -1.501 -12.020 1.708 1.00 62.23 H new ATOM 0 HD3 ARG A 39 -2.584 -10.997 2.632 1.00 62.23 H new ATOM 0 HE ARG A 39 -0.208 -11.060 4.192 1.00 34.23 H new ATOM 0 HH11 ARG A 39 -1.633 -9.015 2.033 1.00 42.02 H new ATOM 0 HH12 ARG A 39 -0.148 -8.367 1.329 1.00 42.02 H new ATOM 0 HH21 ARG A 39 1.901 -10.786 2.801 1.00 73.12 H new ATOM 0 HH22 ARG A 39 1.834 -9.360 1.760 1.00 73.12 H new ATOM 651 N VAL A 40 -6.137 -12.293 2.294 1.00 15.01 N ATOM 652 CA VAL A 40 -6.814 -11.538 1.206 1.00 63.32 C ATOM 653 C VAL A 40 -7.375 -10.222 1.757 1.00 0.42 C ATOM 654 O VAL A 40 -8.023 -10.206 2.783 1.00 60.21 O ATOM 655 CB VAL A 40 -7.945 -12.448 0.727 1.00 70.24 C ATOM 656 CG1 VAL A 40 -8.918 -12.706 1.880 1.00 20.04 C ATOM 657 CG2 VAL A 40 -8.688 -11.770 -0.426 1.00 12.30 C ATOM 0 H VAL A 40 -6.566 -13.185 2.540 1.00 15.01 H new ATOM 0 HA VAL A 40 -6.134 -11.282 0.393 1.00 63.32 H new ATOM 0 HB VAL A 40 -7.529 -13.396 0.386 1.00 70.24 H new ATOM 0 HG11 VAL A 40 -9.724 -13.355 1.538 1.00 20.04 H new ATOM 0 HG12 VAL A 40 -8.389 -13.188 2.702 1.00 20.04 H new ATOM 0 HG13 VAL A 40 -9.335 -11.759 2.223 1.00 20.04 H new ATOM 0 HG21 VAL A 40 -9.495 -12.417 -0.769 1.00 12.30 H new ATOM 0 HG22 VAL A 40 -9.104 -10.822 -0.084 1.00 12.30 H new ATOM 0 HG23 VAL A 40 -7.995 -11.587 -1.248 1.00 12.30 H new ATOM 667 N PRO A 41 -7.097 -9.162 1.050 1.00 51.42 N ATOM 668 CA PRO A 41 -7.569 -7.816 1.467 1.00 63.33 C ATOM 669 C PRO A 41 -9.091 -7.708 1.325 1.00 12.40 C ATOM 670 O PRO A 41 -9.688 -8.319 0.461 1.00 1.34 O ATOM 671 CB PRO A 41 -6.865 -6.875 0.492 1.00 50.11 C ATOM 672 CG PRO A 41 -6.573 -7.719 -0.706 1.00 44.23 C ATOM 673 CD PRO A 41 -6.326 -9.113 -0.195 1.00 15.14 C ATOM 0 HA PRO A 41 -7.348 -7.590 2.510 1.00 63.33 H new ATOM 0 HB2 PRO A 41 -7.498 -6.026 0.234 1.00 50.11 H new ATOM 0 HB3 PRO A 41 -5.950 -6.470 0.924 1.00 50.11 H new ATOM 0 HG2 PRO A 41 -7.410 -7.704 -1.405 1.00 44.23 H new ATOM 0 HG3 PRO A 41 -5.702 -7.343 -1.243 1.00 44.23 H new ATOM 0 HD2 PRO A 41 -6.664 -9.867 -0.906 1.00 15.14 H new ATOM 0 HD3 PRO A 41 -5.266 -9.294 -0.018 1.00 15.14 H new ATOM 681 N GLU A 42 -9.719 -6.936 2.167 1.00 24.21 N ATOM 682 CA GLU A 42 -11.199 -6.788 2.080 1.00 25.34 C ATOM 683 C GLU A 42 -11.577 -5.985 0.833 1.00 11.44 C ATOM 684 O GLU A 42 -12.735 -5.858 0.491 1.00 34.40 O ATOM 685 CB GLU A 42 -11.601 -6.032 3.347 1.00 13.22 C ATOM 686 CG GLU A 42 -13.069 -6.321 3.668 1.00 2.32 C ATOM 687 CD GLU A 42 -13.308 -6.150 5.168 1.00 11.34 C ATOM 688 OE1 GLU A 42 -12.393 -6.417 5.928 1.00 33.10 O ATOM 689 OE2 GLU A 42 -14.404 -5.756 5.531 1.00 71.34 O ATOM 0 H GLU A 42 -9.272 -6.401 2.912 1.00 24.21 H new ATOM 0 HA GLU A 42 -11.705 -7.750 2.004 1.00 25.34 H new ATOM 0 HB2 GLU A 42 -10.968 -6.336 4.181 1.00 13.22 H new ATOM 0 HB3 GLU A 42 -11.452 -4.961 3.207 1.00 13.22 H new ATOM 0 HG2 GLU A 42 -13.714 -5.645 3.107 1.00 2.32 H new ATOM 0 HG3 GLU A 42 -13.326 -7.335 3.362 1.00 2.32 H new ATOM 696 N GLU A 43 -10.605 -5.450 0.145 1.00 61.42 N ATOM 697 CA GLU A 43 -10.912 -4.663 -1.083 1.00 53.24 C ATOM 698 C GLU A 43 -11.248 -5.617 -2.231 1.00 62.23 C ATOM 699 O GLU A 43 -12.123 -5.358 -3.033 1.00 62.25 O ATOM 700 CB GLU A 43 -9.633 -3.873 -1.384 1.00 20.11 C ATOM 701 CG GLU A 43 -8.595 -4.788 -2.042 1.00 40.30 C ATOM 702 CD GLU A 43 -7.321 -3.989 -2.328 1.00 21.43 C ATOM 703 OE1 GLU A 43 -6.625 -3.662 -1.383 1.00 72.43 O ATOM 704 OE2 GLU A 43 -7.065 -3.719 -3.491 1.00 50.42 O ATOM 0 H GLU A 43 -9.615 -5.524 0.379 1.00 61.42 H new ATOM 0 HA GLU A 43 -11.767 -4.000 -0.955 1.00 53.24 H new ATOM 0 HB2 GLU A 43 -9.860 -3.034 -2.042 1.00 20.11 H new ATOM 0 HB3 GLU A 43 -9.229 -3.454 -0.462 1.00 20.11 H new ATOM 0 HG2 GLU A 43 -8.370 -5.630 -1.388 1.00 40.30 H new ATOM 0 HG3 GLU A 43 -8.994 -5.201 -2.968 1.00 40.30 H new ATOM 711 N LEU A 44 -10.559 -6.721 -2.307 1.00 40.52 N ATOM 712 CA LEU A 44 -10.833 -7.704 -3.389 1.00 34.12 C ATOM 713 C LEU A 44 -11.832 -8.751 -2.894 1.00 65.21 C ATOM 714 O LEU A 44 -12.794 -9.073 -3.563 1.00 73.02 O ATOM 715 CB LEU A 44 -9.478 -8.343 -3.683 1.00 24.14 C ATOM 716 CG LEU A 44 -9.084 -8.055 -5.131 1.00 32.41 C ATOM 717 CD1 LEU A 44 -7.566 -7.896 -5.229 1.00 73.23 C ATOM 718 CD2 LEU A 44 -9.537 -9.211 -6.023 1.00 21.24 C ATOM 0 H LEU A 44 -9.814 -6.985 -1.662 1.00 40.52 H new ATOM 0 HA LEU A 44 -11.266 -7.246 -4.278 1.00 34.12 H new ATOM 0 HB2 LEU A 44 -8.722 -7.948 -3.004 1.00 24.14 H new ATOM 0 HB3 LEU A 44 -9.527 -9.419 -3.515 1.00 24.14 H new ATOM 0 HG LEU A 44 -9.564 -7.134 -5.460 1.00 32.41 H new ATOM 0 HD11 LEU A 44 -7.288 -7.691 -6.263 1.00 73.23 H new ATOM 0 HD12 LEU A 44 -7.245 -7.069 -4.596 1.00 73.23 H new ATOM 0 HD13 LEU A 44 -7.082 -8.815 -4.899 1.00 73.23 H new ATOM 0 HD21 LEU A 44 -9.256 -9.005 -7.056 1.00 21.24 H new ATOM 0 HD22 LEU A 44 -9.059 -10.134 -5.694 1.00 21.24 H new ATOM 0 HD23 LEU A 44 -10.620 -9.319 -5.956 1.00 21.24 H new ATOM 730 N MET A 45 -11.618 -9.275 -1.718 1.00 43.51 N ATOM 731 CA MET A 45 -12.564 -10.289 -1.175 1.00 32.22 C ATOM 732 C MET A 45 -13.981 -9.714 -1.165 1.00 20.05 C ATOM 733 O MET A 45 -14.956 -10.435 -1.093 1.00 22.33 O ATOM 734 CB MET A 45 -12.079 -10.560 0.250 1.00 63.42 C ATOM 735 CG MET A 45 -13.096 -11.444 0.974 1.00 44.13 C ATOM 736 SD MET A 45 -12.242 -12.439 2.225 1.00 65.54 S ATOM 737 CE MET A 45 -11.600 -13.711 1.109 1.00 11.52 C ATOM 0 H MET A 45 -10.831 -9.045 -1.111 1.00 43.51 H new ATOM 0 HA MET A 45 -12.591 -11.202 -1.770 1.00 32.22 H new ATOM 0 HB2 MET A 45 -11.106 -11.050 0.227 1.00 63.42 H new ATOM 0 HB3 MET A 45 -11.950 -9.620 0.787 1.00 63.42 H new ATOM 0 HG2 MET A 45 -13.862 -10.827 1.444 1.00 44.13 H new ATOM 0 HG3 MET A 45 -13.604 -12.093 0.261 1.00 44.13 H new ATOM 0 HE1 MET A 45 -11.030 -14.443 1.681 1.00 11.52 H new ATOM 0 HE2 MET A 45 -12.431 -14.209 0.609 1.00 11.52 H new ATOM 0 HE3 MET A 45 -10.953 -13.248 0.364 1.00 11.52 H new ATOM 747 N LYS A 46 -14.097 -8.416 -1.242 1.00 42.34 N ATOM 748 CA LYS A 46 -15.446 -7.783 -1.245 1.00 50.23 C ATOM 749 C LYS A 46 -16.308 -8.401 -2.347 1.00 52.34 C ATOM 750 O LYS A 46 -17.473 -8.691 -2.151 1.00 13.35 O ATOM 751 CB LYS A 46 -15.186 -6.305 -1.538 1.00 51.34 C ATOM 752 CG LYS A 46 -15.753 -5.445 -0.404 1.00 45.32 C ATOM 753 CD LYS A 46 -15.370 -3.982 -0.637 1.00 72.43 C ATOM 754 CE LYS A 46 -16.563 -3.080 -0.314 1.00 72.05 C ATOM 755 NZ LYS A 46 -16.107 -1.707 -0.662 1.00 72.32 N ATOM 0 H LYS A 46 -13.314 -7.766 -1.303 1.00 42.34 H new ATOM 0 HA LYS A 46 -15.976 -7.926 -0.303 1.00 50.23 H new ATOM 0 HB2 LYS A 46 -14.115 -6.128 -1.641 1.00 51.34 H new ATOM 0 HB3 LYS A 46 -15.648 -6.026 -2.485 1.00 51.34 H new ATOM 0 HG2 LYS A 46 -16.837 -5.547 -0.363 1.00 45.32 H new ATOM 0 HG3 LYS A 46 -15.364 -5.786 0.555 1.00 45.32 H new ATOM 0 HD2 LYS A 46 -14.519 -3.714 -0.011 1.00 72.43 H new ATOM 0 HD3 LYS A 46 -15.062 -3.837 -1.672 1.00 72.43 H new ATOM 0 HE2 LYS A 46 -17.442 -3.364 -0.893 1.00 72.05 H new ATOM 0 HE3 LYS A 46 -16.839 -3.150 0.738 1.00 72.05 H new ATOM 0 HZ1 LYS A 46 -16.871 -1.028 -0.469 1.00 72.32 H new ATOM 0 HZ2 LYS A 46 -15.273 -1.463 -0.090 1.00 72.32 H new ATOM 0 HZ3 LYS A 46 -15.858 -1.669 -1.671 1.00 72.32 H new ATOM 769 N GLY A 47 -15.743 -8.610 -3.504 1.00 61.12 N ATOM 770 CA GLY A 47 -16.524 -9.213 -4.619 1.00 62.15 C ATOM 771 C GLY A 47 -16.578 -10.728 -4.436 1.00 44.22 C ATOM 772 O GLY A 47 -17.592 -11.357 -4.658 1.00 34.32 O ATOM 0 H GLY A 47 -14.772 -8.389 -3.725 1.00 61.12 H new ATOM 0 HA2 GLY A 47 -17.533 -8.801 -4.636 1.00 62.15 H new ATOM 0 HA3 GLY A 47 -16.063 -8.967 -5.576 1.00 62.15 H new ATOM 776 N PHE A 48 -15.489 -11.320 -4.027 1.00 42.43 N ATOM 777 CA PHE A 48 -15.475 -12.796 -3.822 1.00 1.43 C ATOM 778 C PHE A 48 -16.443 -13.180 -2.701 1.00 73.12 C ATOM 779 O PHE A 48 -17.212 -14.113 -2.822 1.00 71.43 O ATOM 780 CB PHE A 48 -14.036 -13.125 -3.425 1.00 52.25 C ATOM 781 CG PHE A 48 -13.604 -14.407 -4.094 1.00 21.24 C ATOM 782 CD1 PHE A 48 -14.476 -15.501 -4.144 1.00 41.22 C ATOM 783 CD2 PHE A 48 -12.330 -14.503 -4.663 1.00 72.24 C ATOM 784 CE1 PHE A 48 -14.074 -16.689 -4.764 1.00 40.43 C ATOM 785 CE2 PHE A 48 -11.927 -15.692 -5.286 1.00 64.44 C ATOM 786 CZ PHE A 48 -12.799 -16.784 -5.334 1.00 3.52 C ATOM 0 H PHE A 48 -14.609 -10.845 -3.826 1.00 42.43 H new ATOM 0 HA PHE A 48 -15.787 -13.342 -4.712 1.00 1.43 H new ATOM 0 HB2 PHE A 48 -13.373 -12.310 -3.716 1.00 52.25 H new ATOM 0 HB3 PHE A 48 -13.961 -13.225 -2.342 1.00 52.25 H new ATOM 0 HD1 PHE A 48 -15.459 -15.428 -3.704 1.00 41.22 H new ATOM 0 HD2 PHE A 48 -11.656 -13.660 -4.622 1.00 72.24 H new ATOM 0 HE1 PHE A 48 -14.747 -17.533 -4.803 1.00 40.43 H new ATOM 0 HE2 PHE A 48 -10.944 -15.765 -5.728 1.00 64.44 H new ATOM 0 HZ PHE A 48 -12.489 -17.702 -5.811 1.00 3.52 H new ATOM 796 N GLY A 49 -16.409 -12.465 -1.609 1.00 12.01 N ATOM 797 CA GLY A 49 -17.322 -12.789 -0.480 1.00 20.02 C ATOM 798 C GLY A 49 -17.053 -14.214 -0.008 1.00 22.52 C ATOM 799 O GLY A 49 -16.135 -14.468 0.745 1.00 54.03 O ATOM 0 H GLY A 49 -15.788 -11.671 -1.452 1.00 12.01 H new ATOM 0 HA2 GLY A 49 -17.169 -12.087 0.340 1.00 20.02 H new ATOM 0 HA3 GLY A 49 -18.360 -12.688 -0.796 1.00 20.02 H new ATOM 803 N GLN A 50 -17.840 -15.153 -0.455 1.00 51.25 N ATOM 804 CA GLN A 50 -17.621 -16.566 -0.038 1.00 31.45 C ATOM 805 C GLN A 50 -17.053 -17.370 -1.213 1.00 22.24 C ATOM 806 O GLN A 50 -17.700 -17.516 -2.231 1.00 11.33 O ATOM 807 CB GLN A 50 -19.005 -17.084 0.356 1.00 0.12 C ATOM 808 CG GLN A 50 -19.206 -16.905 1.862 1.00 33.12 C ATOM 809 CD GLN A 50 -19.431 -15.425 2.176 1.00 72.52 C ATOM 810 OE1 GLN A 50 -20.556 -14.971 2.250 1.00 52.31 O ATOM 811 NE2 GLN A 50 -18.400 -14.645 2.363 1.00 71.04 N ATOM 0 H GLN A 50 -18.624 -15.003 -1.090 1.00 51.25 H new ATOM 0 HA GLN A 50 -16.911 -16.655 0.784 1.00 31.45 H new ATOM 0 HB2 GLN A 50 -19.777 -16.543 -0.192 1.00 0.12 H new ATOM 0 HB3 GLN A 50 -19.101 -18.136 0.088 1.00 0.12 H new ATOM 0 HG2 GLN A 50 -20.061 -17.493 2.198 1.00 33.12 H new ATOM 0 HG3 GLN A 50 -18.334 -17.273 2.402 1.00 33.12 H new ATOM 0 HE21 GLN A 50 -17.455 -15.025 2.301 1.00 71.04 H new ATOM 0 HE22 GLN A 50 -18.540 -13.656 2.571 1.00 71.04 H new ATOM 820 N PRO A 51 -15.854 -17.858 -1.033 1.00 23.23 N ATOM 821 CA PRO A 51 -15.189 -18.647 -2.098 1.00 52.40 C ATOM 822 C PRO A 51 -15.857 -20.015 -2.254 1.00 52.31 C ATOM 823 O PRO A 51 -16.526 -20.498 -1.363 1.00 1.31 O ATOM 824 CB PRO A 51 -13.756 -18.795 -1.593 1.00 22.21 C ATOM 825 CG PRO A 51 -13.854 -18.648 -0.108 1.00 62.11 C ATOM 826 CD PRO A 51 -15.015 -17.727 0.164 1.00 41.05 C ATOM 0 HA PRO A 51 -15.245 -18.172 -3.078 1.00 52.40 H new ATOM 0 HB2 PRO A 51 -13.339 -19.764 -1.867 1.00 22.21 H new ATOM 0 HB3 PRO A 51 -13.105 -18.034 -2.023 1.00 22.21 H new ATOM 0 HG2 PRO A 51 -14.010 -19.617 0.367 1.00 62.11 H new ATOM 0 HG3 PRO A 51 -12.931 -18.237 0.301 1.00 62.11 H new ATOM 0 HD2 PRO A 51 -15.555 -18.019 1.065 1.00 41.05 H new ATOM 0 HD3 PRO A 51 -14.684 -16.699 0.310 1.00 41.05 H new ATOM 834 N GLN A 52 -15.679 -20.644 -3.384 1.00 61.32 N ATOM 835 CA GLN A 52 -16.301 -21.980 -3.601 1.00 3.33 C ATOM 836 C GLN A 52 -15.265 -22.959 -4.162 1.00 34.11 C ATOM 837 O GLN A 52 -14.261 -22.562 -4.719 1.00 4.21 O ATOM 838 CB GLN A 52 -17.416 -21.736 -4.620 1.00 53.41 C ATOM 839 CG GLN A 52 -18.485 -20.838 -3.995 1.00 74.21 C ATOM 840 CD GLN A 52 -18.864 -21.381 -2.615 1.00 34.30 C ATOM 841 OE1 GLN A 52 -18.946 -22.577 -2.421 1.00 64.51 O ATOM 842 NE2 GLN A 52 -19.097 -20.544 -1.641 1.00 21.02 N ATOM 0 H GLN A 52 -15.129 -20.289 -4.167 1.00 61.32 H new ATOM 0 HA GLN A 52 -16.682 -22.415 -2.677 1.00 3.33 H new ATOM 0 HB2 GLN A 52 -17.009 -21.267 -5.516 1.00 53.41 H new ATOM 0 HB3 GLN A 52 -17.856 -22.684 -4.928 1.00 53.41 H new ATOM 0 HG2 GLN A 52 -18.112 -19.818 -3.906 1.00 74.21 H new ATOM 0 HG3 GLN A 52 -19.365 -20.801 -4.637 1.00 74.21 H new ATOM 0 HE21 GLN A 52 -19.028 -19.540 -1.804 1.00 21.02 H new ATOM 0 HE22 GLN A 52 -19.348 -20.894 -0.717 1.00 21.02 H new ATOM 851 N LEU A 53 -15.499 -24.233 -4.017 1.00 11.42 N ATOM 852 CA LEU A 53 -14.525 -25.232 -4.539 1.00 12.41 C ATOM 853 C LEU A 53 -14.911 -25.659 -5.958 1.00 14.11 C ATOM 854 O LEU A 53 -15.762 -26.505 -6.153 1.00 51.51 O ATOM 855 CB LEU A 53 -14.625 -26.419 -3.579 1.00 13.02 C ATOM 856 CG LEU A 53 -13.303 -27.182 -3.573 1.00 33.15 C ATOM 857 CD1 LEU A 53 -12.938 -27.582 -5.004 1.00 42.20 C ATOM 858 CD2 LEU A 53 -12.201 -26.286 -2.999 1.00 62.22 C ATOM 0 H LEU A 53 -16.322 -24.626 -3.560 1.00 11.42 H new ATOM 0 HA LEU A 53 -13.513 -24.832 -4.592 1.00 12.41 H new ATOM 0 HB2 LEU A 53 -14.859 -26.069 -2.574 1.00 13.02 H new ATOM 0 HB3 LEU A 53 -15.437 -27.079 -3.884 1.00 13.02 H new ATOM 0 HG LEU A 53 -13.403 -28.077 -2.959 1.00 33.15 H new ATOM 0 HD11 LEU A 53 -11.994 -28.127 -5.000 1.00 42.20 H new ATOM 0 HD12 LEU A 53 -13.722 -28.218 -5.415 1.00 42.20 H new ATOM 0 HD13 LEU A 53 -12.838 -26.687 -5.618 1.00 42.20 H new ATOM 0 HD21 LEU A 53 -11.256 -26.829 -2.994 1.00 62.22 H new ATOM 0 HD22 LEU A 53 -12.102 -25.392 -3.614 1.00 62.22 H new ATOM 0 HD23 LEU A 53 -12.460 -25.999 -1.980 1.00 62.22 H new ATOM 870 N ALA A 54 -14.291 -25.081 -6.952 1.00 14.14 N ATOM 871 CA ALA A 54 -14.628 -25.457 -8.355 1.00 23.23 C ATOM 872 C ALA A 54 -13.597 -26.450 -8.900 1.00 5.30 C ATOM 873 O ALA A 54 -13.926 -27.349 -9.650 1.00 72.14 O ATOM 874 CB ALA A 54 -14.578 -24.148 -9.143 1.00 64.21 C ATOM 0 H ALA A 54 -13.569 -24.368 -6.854 1.00 14.14 H new ATOM 0 HA ALA A 54 -15.603 -25.939 -8.428 1.00 23.23 H new ATOM 0 HB1 ALA A 54 -14.816 -24.343 -10.189 1.00 64.21 H new ATOM 0 HB2 ALA A 54 -15.304 -23.447 -8.731 1.00 64.21 H new ATOM 0 HB3 ALA A 54 -13.579 -23.719 -9.072 1.00 64.21 H new ATOM 880 N MET A 55 -12.353 -26.295 -8.534 1.00 40.22 N ATOM 881 CA MET A 55 -11.306 -27.233 -9.038 1.00 64.43 C ATOM 882 C MET A 55 -10.105 -27.250 -8.087 1.00 51.05 C ATOM 883 O MET A 55 -9.729 -26.241 -7.524 1.00 13.21 O ATOM 884 CB MET A 55 -10.903 -26.673 -10.403 1.00 3.20 C ATOM 885 CG MET A 55 -11.432 -27.589 -11.508 1.00 2.21 C ATOM 886 SD MET A 55 -12.556 -26.658 -12.578 1.00 11.41 S ATOM 887 CE MET A 55 -11.375 -25.388 -13.101 1.00 12.20 C ATOM 0 H MET A 55 -12.016 -25.562 -7.910 1.00 40.22 H new ATOM 0 HA MET A 55 -11.667 -28.259 -9.107 1.00 64.43 H new ATOM 0 HB2 MET A 55 -11.303 -25.667 -10.528 1.00 3.20 H new ATOM 0 HB3 MET A 55 -9.818 -26.595 -10.470 1.00 3.20 H new ATOM 0 HG2 MET A 55 -10.603 -27.987 -12.093 1.00 2.21 H new ATOM 0 HG3 MET A 55 -11.952 -28.441 -11.071 1.00 2.21 H new ATOM 0 HE1 MET A 55 -11.542 -25.146 -14.150 1.00 12.20 H new ATOM 0 HE2 MET A 55 -11.512 -24.492 -12.495 1.00 12.20 H new ATOM 0 HE3 MET A 55 -10.359 -25.761 -12.972 1.00 12.20 H new ATOM 897 N ILE A 56 -9.493 -28.390 -7.913 1.00 3.35 N ATOM 898 CA ILE A 56 -8.314 -28.476 -7.001 1.00 44.22 C ATOM 899 C ILE A 56 -7.062 -28.858 -7.800 1.00 53.31 C ATOM 900 O ILE A 56 -7.036 -29.862 -8.485 1.00 70.14 O ATOM 901 CB ILE A 56 -8.666 -29.571 -5.997 1.00 22.42 C ATOM 902 CG1 ILE A 56 -9.787 -29.080 -5.080 1.00 12.22 C ATOM 903 CG2 ILE A 56 -7.436 -29.911 -5.153 1.00 5.21 C ATOM 904 CD1 ILE A 56 -10.545 -30.280 -4.508 1.00 54.12 C ATOM 0 H ILE A 56 -9.758 -29.266 -8.363 1.00 3.35 H new ATOM 0 HA ILE A 56 -8.101 -27.528 -6.506 1.00 44.22 H new ATOM 0 HB ILE A 56 -8.994 -30.460 -6.535 1.00 22.42 H new ATOM 0 HG12 ILE A 56 -9.372 -28.480 -4.270 1.00 12.22 H new ATOM 0 HG13 ILE A 56 -10.470 -28.437 -5.636 1.00 12.22 H new ATOM 0 HG21 ILE A 56 -7.691 -30.693 -4.437 1.00 5.21 H new ATOM 0 HG22 ILE A 56 -6.634 -30.261 -5.803 1.00 5.21 H new ATOM 0 HG23 ILE A 56 -7.106 -29.022 -4.616 1.00 5.21 H new ATOM 0 HD11 ILE A 56 -11.343 -29.928 -3.855 1.00 54.12 H new ATOM 0 HD12 ILE A 56 -10.974 -30.862 -5.324 1.00 54.12 H new ATOM 0 HD13 ILE A 56 -9.859 -30.906 -3.937 1.00 54.12 H new ATOM 916 N LEU A 57 -6.027 -28.065 -7.720 1.00 71.32 N ATOM 917 CA LEU A 57 -4.784 -28.384 -8.482 1.00 21.20 C ATOM 918 C LEU A 57 -3.866 -29.293 -7.655 1.00 2.44 C ATOM 919 O LEU A 57 -3.427 -28.925 -6.582 1.00 64.42 O ATOM 920 CB LEU A 57 -4.116 -27.030 -8.729 1.00 41.04 C ATOM 921 CG LEU A 57 -2.745 -27.247 -9.373 1.00 12.01 C ATOM 922 CD1 LEU A 57 -2.582 -26.300 -10.563 1.00 35.31 C ATOM 923 CD2 LEU A 57 -1.648 -26.963 -8.347 1.00 4.22 C ATOM 0 H LEU A 57 -5.988 -27.212 -7.162 1.00 71.32 H new ATOM 0 HA LEU A 57 -4.996 -28.913 -9.411 1.00 21.20 H new ATOM 0 HB2 LEU A 57 -4.741 -26.417 -9.378 1.00 41.04 H new ATOM 0 HB3 LEU A 57 -4.006 -26.490 -7.789 1.00 41.04 H new ATOM 0 HG LEU A 57 -2.667 -28.279 -9.715 1.00 12.01 H new ATOM 0 HD11 LEU A 57 -1.605 -26.456 -11.021 1.00 35.31 H new ATOM 0 HD12 LEU A 57 -3.363 -26.500 -11.297 1.00 35.31 H new ATOM 0 HD13 LEU A 57 -2.662 -25.268 -10.221 1.00 35.31 H new ATOM 0 HD21 LEU A 57 -0.672 -27.118 -8.806 1.00 4.22 H new ATOM 0 HD22 LEU A 57 -1.729 -25.931 -8.004 1.00 4.22 H new ATOM 0 HD23 LEU A 57 -1.761 -27.637 -7.498 1.00 4.22 H new ATOM 935 N PRO A 58 -3.605 -30.456 -8.187 1.00 31.30 N ATOM 936 CA PRO A 58 -2.728 -31.434 -7.498 1.00 53.11 C ATOM 937 C PRO A 58 -1.262 -30.994 -7.586 1.00 72.04 C ATOM 938 O PRO A 58 -0.957 -29.911 -8.039 1.00 32.22 O ATOM 939 CB PRO A 58 -2.950 -32.728 -8.273 1.00 1.24 C ATOM 940 CG PRO A 58 -3.398 -32.293 -9.632 1.00 60.44 C ATOM 941 CD PRO A 58 -4.096 -30.968 -9.470 1.00 44.12 C ATOM 0 HA PRO A 58 -2.954 -31.535 -6.436 1.00 53.11 H new ATOM 0 HB2 PRO A 58 -2.034 -33.317 -8.329 1.00 1.24 H new ATOM 0 HB3 PRO A 58 -3.702 -33.353 -7.791 1.00 1.24 H new ATOM 0 HG2 PRO A 58 -2.546 -32.199 -10.306 1.00 60.44 H new ATOM 0 HG3 PRO A 58 -4.071 -33.031 -10.070 1.00 60.44 H new ATOM 0 HD2 PRO A 58 -3.856 -30.289 -10.288 1.00 44.12 H new ATOM 0 HD3 PRO A 58 -5.179 -31.087 -9.463 1.00 44.12 H new ATOM 949 N LEU A 59 -0.353 -31.828 -7.156 1.00 15.01 N ATOM 950 CA LEU A 59 1.090 -31.455 -7.222 1.00 65.13 C ATOM 951 C LEU A 59 1.841 -32.403 -8.157 1.00 60.42 C ATOM 952 O LEU A 59 2.870 -32.947 -7.810 1.00 11.22 O ATOM 953 CB LEU A 59 1.608 -31.607 -5.797 1.00 53.04 C ATOM 954 CG LEU A 59 1.397 -33.047 -5.330 1.00 20.42 C ATOM 955 CD1 LEU A 59 2.738 -33.653 -4.917 1.00 11.42 C ATOM 956 CD2 LEU A 59 0.440 -33.063 -4.135 1.00 11.25 C ATOM 0 H LEU A 59 -0.547 -32.749 -6.763 1.00 15.01 H new ATOM 0 HA LEU A 59 1.232 -30.444 -7.605 1.00 65.13 H new ATOM 0 HB2 LEU A 59 2.667 -31.351 -5.754 1.00 53.04 H new ATOM 0 HB3 LEU A 59 1.086 -30.918 -5.133 1.00 53.04 H new ATOM 0 HG LEU A 59 0.970 -33.632 -6.145 1.00 20.42 H new ATOM 0 HD11 LEU A 59 2.586 -34.680 -4.584 1.00 11.42 H new ATOM 0 HD12 LEU A 59 3.419 -33.644 -5.768 1.00 11.42 H new ATOM 0 HD13 LEU A 59 3.167 -33.068 -4.104 1.00 11.42 H new ATOM 0 HD21 LEU A 59 0.290 -34.090 -3.803 1.00 11.25 H new ATOM 0 HD22 LEU A 59 0.865 -32.476 -3.321 1.00 11.25 H new ATOM 0 HD23 LEU A 59 -0.518 -32.634 -4.430 1.00 11.25 H new ATOM 1090 N ASN A 67 -6.701 -18.770 -16.485 1.00 63.33 N ATOM 1091 CA ASN A 67 -7.167 -17.634 -15.638 1.00 62.52 C ATOM 1092 C ASN A 67 -5.984 -16.984 -14.915 1.00 24.32 C ATOM 1093 O ASN A 67 -5.737 -15.802 -15.049 1.00 1.30 O ATOM 1094 CB ASN A 67 -8.133 -18.258 -14.633 1.00 3.25 C ATOM 1095 CG ASN A 67 -9.467 -18.558 -15.321 1.00 52.10 C ATOM 1096 OD1 ASN A 67 -10.019 -19.627 -15.156 1.00 1.50 O ATOM 1097 ND2 ASN A 67 -10.009 -17.654 -16.090 1.00 35.23 N ATOM 0 HA ASN A 67 -7.642 -16.851 -16.229 1.00 62.52 H new ATOM 0 HB2 ASN A 67 -7.708 -19.175 -14.226 1.00 3.25 H new ATOM 0 HB3 ASN A 67 -8.289 -17.580 -13.794 1.00 3.25 H new ATOM 0 HD21 ASN A 67 -10.897 -17.845 -16.553 1.00 35.23 H new ATOM 0 HD22 ASN A 67 -9.544 -16.756 -16.228 1.00 35.23 H new ATOM 1104 N ALA A 68 -5.252 -17.744 -14.145 1.00 31.22 N ATOM 1105 CA ALA A 68 -4.089 -17.160 -13.415 1.00 40.15 C ATOM 1106 C ALA A 68 -2.823 -17.972 -13.684 1.00 14.22 C ATOM 1107 O ALA A 68 -2.878 -19.151 -13.978 1.00 33.32 O ATOM 1108 CB ALA A 68 -4.470 -17.239 -11.937 1.00 23.25 C ATOM 0 H ALA A 68 -5.408 -18.740 -13.990 1.00 31.22 H new ATOM 0 HA ALA A 68 -3.879 -16.138 -13.731 1.00 40.15 H new ATOM 0 HB1 ALA A 68 -3.663 -16.827 -11.331 1.00 23.25 H new ATOM 0 HB2 ALA A 68 -5.381 -16.666 -11.765 1.00 23.25 H new ATOM 0 HB3 ALA A 68 -4.638 -18.280 -11.660 1.00 23.25 H new ATOM 1114 N ASP A 69 -1.680 -17.353 -13.574 1.00 34.02 N ATOM 1115 CA ASP A 69 -0.409 -18.091 -13.813 1.00 53.40 C ATOM 1116 C ASP A 69 -0.012 -18.857 -12.553 1.00 71.23 C ATOM 1117 O ASP A 69 0.364 -18.277 -11.553 1.00 12.51 O ATOM 1118 CB ASP A 69 0.624 -17.012 -14.135 1.00 22.50 C ATOM 1119 CG ASP A 69 0.243 -16.308 -15.438 1.00 43.23 C ATOM 1120 OD1 ASP A 69 -0.831 -16.585 -15.944 1.00 43.32 O ATOM 1121 OD2 ASP A 69 1.032 -15.507 -15.909 1.00 71.22 O ATOM 0 H ASP A 69 -1.572 -16.369 -13.329 1.00 34.02 H new ATOM 0 HA ASP A 69 -0.495 -18.819 -14.619 1.00 53.40 H new ATOM 0 HB2 ASP A 69 0.675 -16.289 -13.321 1.00 22.50 H new ATOM 0 HB3 ASP A 69 1.614 -17.458 -14.227 1.00 22.50 H new ATOM 1126 N ILE A 70 -0.094 -20.158 -12.591 1.00 64.43 N ATOM 1127 CA ILE A 70 0.277 -20.961 -11.392 1.00 64.42 C ATOM 1128 C ILE A 70 1.660 -20.533 -10.884 1.00 53.51 C ATOM 1129 O ILE A 70 1.926 -20.546 -9.699 1.00 54.33 O ATOM 1130 CB ILE A 70 0.258 -22.424 -11.878 1.00 13.40 C ATOM 1131 CG1 ILE A 70 -0.469 -23.290 -10.848 1.00 63.41 C ATOM 1132 CG2 ILE A 70 1.682 -22.961 -12.073 1.00 12.21 C ATOM 1133 CD1 ILE A 70 0.110 -23.028 -9.457 1.00 71.52 C ATOM 0 H ILE A 70 -0.401 -20.699 -13.399 1.00 64.43 H new ATOM 0 HA ILE A 70 -0.404 -20.822 -10.553 1.00 64.42 H new ATOM 0 HB ILE A 70 -0.259 -22.460 -12.837 1.00 13.40 H new ATOM 0 HG12 ILE A 70 -1.536 -23.065 -10.857 1.00 63.41 H new ATOM 0 HG13 ILE A 70 -0.363 -24.344 -11.104 1.00 63.41 H new ATOM 0 HG21 ILE A 70 1.637 -23.995 -12.416 1.00 12.21 H new ATOM 0 HG22 ILE A 70 2.201 -22.355 -12.815 1.00 12.21 H new ATOM 0 HG23 ILE A 70 2.221 -22.916 -11.126 1.00 12.21 H new ATOM 0 HD11 ILE A 70 -0.409 -23.646 -8.724 1.00 71.52 H new ATOM 0 HD12 ILE A 70 1.172 -23.275 -9.452 1.00 71.52 H new ATOM 0 HD13 ILE A 70 -0.019 -21.976 -9.201 1.00 71.52 H new ATOM 1145 N GLU A 71 2.539 -20.151 -11.771 1.00 3.43 N ATOM 1146 CA GLU A 71 3.901 -19.722 -11.341 1.00 65.32 C ATOM 1147 C GLU A 71 3.814 -18.433 -10.519 1.00 2.51 C ATOM 1148 O GLU A 71 4.484 -18.278 -9.517 1.00 34.03 O ATOM 1149 CB GLU A 71 4.671 -19.479 -12.642 1.00 42.14 C ATOM 1150 CG GLU A 71 4.961 -20.818 -13.322 1.00 35.13 C ATOM 1151 CD GLU A 71 6.468 -20.973 -13.524 1.00 11.22 C ATOM 1152 OE1 GLU A 71 7.189 -20.878 -12.545 1.00 32.41 O ATOM 1153 OE2 GLU A 71 6.878 -21.182 -14.654 1.00 45.10 O ATOM 0 H GLU A 71 2.372 -20.118 -12.777 1.00 3.43 H new ATOM 0 HA GLU A 71 4.389 -20.467 -10.713 1.00 65.32 H new ATOM 0 HB2 GLU A 71 4.090 -18.840 -13.307 1.00 42.14 H new ATOM 0 HB3 GLU A 71 5.604 -18.956 -12.432 1.00 42.14 H new ATOM 0 HG2 GLU A 71 4.579 -21.637 -12.713 1.00 35.13 H new ATOM 0 HG3 GLU A 71 4.448 -20.869 -14.282 1.00 35.13 H new ATOM 1160 N LYS A 72 2.993 -17.507 -10.936 1.00 42.35 N ATOM 1161 CA LYS A 72 2.862 -16.230 -10.178 1.00 31.01 C ATOM 1162 C LYS A 72 2.185 -16.485 -8.828 1.00 61.11 C ATOM 1163 O LYS A 72 2.259 -15.678 -7.924 1.00 60.32 O ATOM 1164 CB LYS A 72 1.985 -15.336 -11.057 1.00 62.33 C ATOM 1165 CG LYS A 72 2.863 -14.581 -12.056 1.00 43.33 C ATOM 1166 CD LYS A 72 2.749 -13.077 -11.805 1.00 11.24 C ATOM 1167 CE LYS A 72 4.087 -12.538 -11.293 1.00 3.41 C ATOM 1168 NZ LYS A 72 3.893 -11.065 -11.191 1.00 74.42 N ATOM 0 H LYS A 72 2.408 -17.580 -11.768 1.00 42.35 H new ATOM 0 HA LYS A 72 3.829 -15.773 -9.968 1.00 31.01 H new ATOM 0 HB2 LYS A 72 1.249 -15.940 -11.588 1.00 62.33 H new ATOM 0 HB3 LYS A 72 1.431 -14.630 -10.438 1.00 62.33 H new ATOM 0 HG2 LYS A 72 3.901 -14.899 -11.956 1.00 43.33 H new ATOM 0 HG3 LYS A 72 2.555 -14.814 -13.075 1.00 43.33 H new ATOM 0 HD2 LYS A 72 2.468 -12.565 -12.725 1.00 11.24 H new ATOM 0 HD3 LYS A 72 1.963 -12.878 -11.077 1.00 11.24 H new ATOM 0 HE2 LYS A 72 4.343 -12.971 -10.326 1.00 3.41 H new ATOM 0 HE3 LYS A 72 4.899 -12.783 -11.977 1.00 3.41 H new ATOM 0 HZ1 LYS A 72 4.769 -10.623 -10.846 1.00 74.42 H new ATOM 0 HZ2 LYS A 72 3.657 -10.680 -12.128 1.00 74.42 H new ATOM 0 HZ3 LYS A 72 3.118 -10.862 -10.528 1.00 74.42 H new ATOM 1182 N VAL A 73 1.524 -17.602 -8.689 1.00 71.11 N ATOM 1183 CA VAL A 73 0.842 -17.910 -7.399 1.00 42.21 C ATOM 1184 C VAL A 73 1.829 -18.539 -6.413 1.00 45.21 C ATOM 1185 O VAL A 73 1.720 -18.366 -5.217 1.00 1.15 O ATOM 1186 CB VAL A 73 -0.261 -18.903 -7.762 1.00 24.33 C ATOM 1187 CG1 VAL A 73 -1.213 -19.067 -6.576 1.00 74.31 C ATOM 1188 CG2 VAL A 73 -1.041 -18.378 -8.972 1.00 33.11 C ATOM 0 H VAL A 73 1.427 -18.314 -9.412 1.00 71.11 H new ATOM 0 HA VAL A 73 0.444 -17.016 -6.919 1.00 42.21 H new ATOM 0 HB VAL A 73 0.185 -19.867 -8.005 1.00 24.33 H new ATOM 0 HG11 VAL A 73 -1.999 -19.776 -6.836 1.00 74.31 H new ATOM 0 HG12 VAL A 73 -0.660 -19.439 -5.714 1.00 74.31 H new ATOM 0 HG13 VAL A 73 -1.659 -18.103 -6.332 1.00 74.31 H new ATOM 0 HG21 VAL A 73 -1.828 -19.085 -9.232 1.00 33.11 H new ATOM 0 HG22 VAL A 73 -1.486 -17.414 -8.727 1.00 33.11 H new ATOM 0 HG23 VAL A 73 -0.364 -18.261 -9.818 1.00 33.11 H new ATOM 1198 N LYS A 74 2.793 -19.269 -6.905 1.00 1.04 N ATOM 1199 CA LYS A 74 3.783 -19.906 -5.992 1.00 31.51 C ATOM 1200 C LYS A 74 4.394 -18.850 -5.067 1.00 41.10 C ATOM 1201 O LYS A 74 4.438 -19.014 -3.864 1.00 21.24 O ATOM 1202 CB LYS A 74 4.854 -20.500 -6.908 1.00 2.21 C ATOM 1203 CG LYS A 74 4.223 -21.561 -7.814 1.00 62.24 C ATOM 1204 CD LYS A 74 3.828 -22.779 -6.977 1.00 1.23 C ATOM 1205 CE LYS A 74 2.337 -23.064 -7.163 1.00 64.32 C ATOM 1206 NZ LYS A 74 2.276 -24.436 -7.738 1.00 1.33 N ATOM 0 H LYS A 74 2.937 -19.451 -7.898 1.00 1.04 H new ATOM 0 HA LYS A 74 3.329 -20.667 -5.358 1.00 31.51 H new ATOM 0 HB2 LYS A 74 5.307 -19.714 -7.512 1.00 2.21 H new ATOM 0 HB3 LYS A 74 5.652 -20.944 -6.312 1.00 2.21 H new ATOM 0 HG2 LYS A 74 3.346 -21.151 -8.315 1.00 62.24 H new ATOM 0 HG3 LYS A 74 4.927 -21.855 -8.593 1.00 62.24 H new ATOM 0 HD2 LYS A 74 4.415 -23.646 -7.278 1.00 1.23 H new ATOM 0 HD3 LYS A 74 4.046 -22.597 -5.925 1.00 1.23 H new ATOM 0 HE2 LYS A 74 1.803 -23.010 -6.214 1.00 64.32 H new ATOM 0 HE3 LYS A 74 1.876 -22.336 -7.830 1.00 64.32 H new ATOM 0 HZ1 LYS A 74 1.283 -24.730 -7.831 1.00 1.33 H new ATOM 0 HZ2 LYS A 74 2.727 -24.440 -8.675 1.00 1.33 H new ATOM 0 HZ3 LYS A 74 2.775 -25.098 -7.110 1.00 1.33 H new ATOM 1220 N GLN A 75 4.863 -17.767 -5.623 1.00 74.42 N ATOM 1221 CA GLN A 75 5.469 -16.700 -4.775 1.00 60.25 C ATOM 1222 C GLN A 75 4.412 -16.113 -3.838 1.00 14.32 C ATOM 1223 O GLN A 75 4.722 -15.403 -2.903 1.00 12.14 O ATOM 1224 CB GLN A 75 5.961 -15.641 -5.762 1.00 4.13 C ATOM 1225 CG GLN A 75 4.771 -15.071 -6.540 1.00 54.01 C ATOM 1226 CD GLN A 75 4.103 -13.968 -5.716 1.00 1.32 C ATOM 1227 OE1 GLN A 75 4.746 -13.017 -5.318 1.00 44.21 O ATOM 1228 NE2 GLN A 75 2.831 -14.056 -5.447 1.00 3.14 N ATOM 0 H GLN A 75 4.853 -17.574 -6.625 1.00 74.42 H new ATOM 0 HA GLN A 75 6.277 -17.076 -4.148 1.00 60.25 H new ATOM 0 HB2 GLN A 75 6.475 -14.842 -5.227 1.00 4.13 H new ATOM 0 HB3 GLN A 75 6.683 -16.079 -6.451 1.00 4.13 H new ATOM 0 HG2 GLN A 75 5.106 -14.672 -7.497 1.00 54.01 H new ATOM 0 HG3 GLN A 75 4.053 -15.862 -6.758 1.00 54.01 H new ATOM 0 HE21 GLN A 75 2.293 -14.855 -5.782 1.00 3.14 H new ATOM 0 HE22 GLN A 75 2.373 -13.326 -4.901 1.00 3.14 H new ATOM 1237 N ALA A 76 3.164 -16.409 -4.079 1.00 22.44 N ATOM 1238 CA ALA A 76 2.085 -15.875 -3.198 1.00 52.12 C ATOM 1239 C ALA A 76 1.748 -16.898 -2.111 1.00 12.54 C ATOM 1240 O ALA A 76 1.659 -16.572 -0.945 1.00 60.34 O ATOM 1241 CB ALA A 76 0.887 -15.657 -4.123 1.00 41.43 C ATOM 0 H ALA A 76 2.844 -16.998 -4.848 1.00 22.44 H new ATOM 0 HA ALA A 76 2.377 -14.954 -2.693 1.00 52.12 H new ATOM 0 HB1 ALA A 76 0.049 -15.264 -3.547 1.00 41.43 H new ATOM 0 HB2 ALA A 76 1.155 -14.946 -4.905 1.00 41.43 H new ATOM 0 HB3 ALA A 76 0.601 -16.605 -4.578 1.00 41.43 H new ATOM 1247 N LEU A 77 1.567 -18.137 -2.483 1.00 44.24 N ATOM 1248 CA LEU A 77 1.246 -19.178 -1.467 1.00 4.03 C ATOM 1249 C LEU A 77 2.484 -19.472 -0.617 1.00 42.54 C ATOM 1250 O LEU A 77 2.383 -19.882 0.523 1.00 31.50 O ATOM 1251 CB LEU A 77 0.837 -20.414 -2.274 1.00 34.51 C ATOM 1252 CG LEU A 77 -0.208 -20.021 -3.319 1.00 13.54 C ATOM 1253 CD1 LEU A 77 -0.834 -21.286 -3.913 1.00 11.41 C ATOM 1254 CD2 LEU A 77 -1.299 -19.178 -2.660 1.00 51.24 C ATOM 0 H LEU A 77 1.628 -18.472 -3.445 1.00 44.24 H new ATOM 0 HA LEU A 77 0.455 -18.865 -0.785 1.00 4.03 H new ATOM 0 HB2 LEU A 77 1.710 -20.847 -2.763 1.00 34.51 H new ATOM 0 HB3 LEU A 77 0.432 -21.177 -1.609 1.00 34.51 H new ATOM 0 HG LEU A 77 0.270 -19.443 -4.110 1.00 13.54 H new ATOM 0 HD11 LEU A 77 -1.579 -21.008 -4.658 1.00 11.41 H new ATOM 0 HD12 LEU A 77 -0.058 -21.889 -4.384 1.00 11.41 H new ATOM 0 HD13 LEU A 77 -1.311 -21.863 -3.120 1.00 11.41 H new ATOM 0 HD21 LEU A 77 -2.043 -18.899 -3.406 1.00 51.24 H new ATOM 0 HD22 LEU A 77 -1.777 -19.756 -1.869 1.00 51.24 H new ATOM 0 HD23 LEU A 77 -0.856 -18.278 -2.234 1.00 51.24 H new ATOM 1266 N THR A 78 3.652 -19.264 -1.162 1.00 31.10 N ATOM 1267 CA THR A 78 4.896 -19.527 -0.383 1.00 31.12 C ATOM 1268 C THR A 78 5.204 -18.333 0.525 1.00 72.22 C ATOM 1269 O THR A 78 5.786 -18.477 1.582 1.00 34.02 O ATOM 1270 CB THR A 78 5.994 -19.704 -1.433 1.00 54.23 C ATOM 1271 OG1 THR A 78 7.139 -20.286 -0.823 1.00 13.35 O ATOM 1272 CG2 THR A 78 6.366 -18.346 -2.028 1.00 31.31 C ATOM 0 H THR A 78 3.799 -18.924 -2.112 1.00 31.10 H new ATOM 0 HA THR A 78 4.808 -20.403 0.259 1.00 31.12 H new ATOM 0 HB THR A 78 5.632 -20.355 -2.228 1.00 54.23 H new ATOM 0 HG1 THR A 78 7.844 -20.402 -1.494 1.00 13.35 H new ATOM 0 HG21 THR A 78 7.148 -18.478 -2.775 1.00 31.31 H new ATOM 0 HG22 THR A 78 5.488 -17.901 -2.497 1.00 31.31 H new ATOM 0 HG23 THR A 78 6.727 -17.689 -1.237 1.00 31.31 H new ATOM 1280 N GLU A 79 4.814 -17.154 0.123 1.00 42.41 N ATOM 1281 CA GLU A 79 5.077 -15.951 0.961 1.00 5.21 C ATOM 1282 C GLU A 79 3.867 -15.661 1.851 1.00 55.11 C ATOM 1283 O GLU A 79 3.995 -15.433 3.038 1.00 4.23 O ATOM 1284 CB GLU A 79 5.298 -14.811 -0.033 1.00 43.12 C ATOM 1285 CG GLU A 79 6.512 -15.121 -0.907 1.00 71.05 C ATOM 1286 CD GLU A 79 7.793 -14.911 -0.098 1.00 71.35 C ATOM 1287 OE1 GLU A 79 8.141 -13.764 0.136 1.00 11.15 O ATOM 1288 OE2 GLU A 79 8.406 -15.898 0.272 1.00 2.33 O ATOM 0 H GLU A 79 4.323 -16.972 -0.752 1.00 42.41 H new ATOM 0 HA GLU A 79 5.935 -16.084 1.619 1.00 5.21 H new ATOM 0 HB2 GLU A 79 4.413 -14.681 -0.656 1.00 43.12 H new ATOM 0 HB3 GLU A 79 5.452 -13.874 0.502 1.00 43.12 H new ATOM 0 HG2 GLU A 79 6.461 -16.149 -1.266 1.00 71.05 H new ATOM 0 HG3 GLU A 79 6.515 -14.476 -1.786 1.00 71.05 H new ATOM 1295 N GLN A 80 2.693 -15.671 1.285 1.00 62.00 N ATOM 1296 CA GLN A 80 1.468 -15.399 2.093 1.00 32.44 C ATOM 1297 C GLN A 80 0.695 -16.701 2.306 1.00 30.51 C ATOM 1298 O GLN A 80 0.461 -17.126 3.419 1.00 41.50 O ATOM 1299 CB GLN A 80 0.630 -14.427 1.257 1.00 64.51 C ATOM 1300 CG GLN A 80 1.531 -13.396 0.569 1.00 64.23 C ATOM 1301 CD GLN A 80 0.731 -12.675 -0.518 1.00 71.24 C ATOM 1302 OE1 GLN A 80 0.789 -11.466 -0.631 1.00 63.25 O ATOM 1303 NE2 GLN A 80 -0.021 -13.372 -1.327 1.00 53.21 N ATOM 0 H GLN A 80 2.527 -15.856 0.296 1.00 62.00 H new ATOM 0 HA GLN A 80 1.708 -14.986 3.073 1.00 32.44 H new ATOM 0 HB2 GLN A 80 0.061 -14.979 0.508 1.00 64.51 H new ATOM 0 HB3 GLN A 80 -0.093 -13.919 1.895 1.00 64.51 H new ATOM 0 HG2 GLN A 80 1.905 -12.678 1.299 1.00 64.23 H new ATOM 0 HG3 GLN A 80 2.400 -13.888 0.132 1.00 64.23 H new ATOM 0 HE21 GLN A 80 -0.069 -14.386 -1.232 1.00 53.21 H new ATOM 0 HE22 GLN A 80 -0.560 -12.902 -2.054 1.00 53.21 H new ATOM 1312 N GLY A 81 0.297 -17.333 1.238 1.00 71.35 N ATOM 1313 CA GLY A 81 -0.461 -18.607 1.360 1.00 43.53 C ATOM 1314 C GLY A 81 -1.748 -18.517 0.542 1.00 0.05 C ATOM 1315 O GLY A 81 -2.529 -19.446 0.497 1.00 35.30 O ATOM 0 H GLY A 81 0.465 -17.020 0.282 1.00 71.35 H new ATOM 0 HA2 GLY A 81 0.148 -19.440 1.008 1.00 43.53 H new ATOM 0 HA3 GLY A 81 -0.696 -18.804 2.406 1.00 43.53 H new ATOM 1319 N TYR A 82 -1.979 -17.408 -0.111 1.00 74.12 N ATOM 1320 CA TYR A 82 -3.224 -17.272 -0.926 1.00 32.21 C ATOM 1321 C TYR A 82 -2.977 -16.333 -2.110 1.00 64.22 C ATOM 1322 O TYR A 82 -2.258 -15.359 -2.006 1.00 34.10 O ATOM 1323 CB TYR A 82 -4.292 -16.670 0.004 1.00 13.04 C ATOM 1324 CG TYR A 82 -4.008 -17.021 1.448 1.00 0.23 C ATOM 1325 CD1 TYR A 82 -3.013 -16.335 2.152 1.00 71.14 C ATOM 1326 CD2 TYR A 82 -4.742 -18.033 2.080 1.00 31.04 C ATOM 1327 CE1 TYR A 82 -2.751 -16.658 3.487 1.00 44.24 C ATOM 1328 CE2 TYR A 82 -4.479 -18.357 3.417 1.00 3.04 C ATOM 1329 CZ TYR A 82 -3.484 -17.670 4.121 1.00 31.35 C ATOM 1330 OH TYR A 82 -3.225 -17.987 5.438 1.00 1.31 O ATOM 0 H TYR A 82 -1.364 -16.594 -0.116 1.00 74.12 H new ATOM 0 HA TYR A 82 -3.541 -18.236 -1.323 1.00 32.21 H new ATOM 0 HB2 TYR A 82 -4.314 -15.587 -0.114 1.00 13.04 H new ATOM 0 HB3 TYR A 82 -5.277 -17.041 -0.278 1.00 13.04 H new ATOM 0 HD1 TYR A 82 -2.447 -15.555 1.664 1.00 71.14 H new ATOM 0 HD2 TYR A 82 -5.510 -18.563 1.537 1.00 31.04 H new ATOM 0 HE1 TYR A 82 -1.983 -16.127 4.030 1.00 44.24 H new ATOM 0 HE2 TYR A 82 -5.044 -19.137 3.905 1.00 3.04 H new ATOM 0 HH TYR A 82 -3.822 -18.709 5.724 1.00 1.31 H new ATOM 1340 N TYR A 83 -3.580 -16.612 -3.232 1.00 21.51 N ATOM 1341 CA TYR A 83 -3.396 -15.732 -4.420 1.00 24.12 C ATOM 1342 C TYR A 83 -4.713 -15.614 -5.188 1.00 73.12 C ATOM 1343 O TYR A 83 -5.250 -16.591 -5.672 1.00 41.42 O ATOM 1344 CB TYR A 83 -2.337 -16.423 -5.279 1.00 51.52 C ATOM 1345 CG TYR A 83 -2.182 -15.671 -6.579 1.00 54.25 C ATOM 1346 CD1 TYR A 83 -3.167 -15.772 -7.571 1.00 24.30 C ATOM 1347 CD2 TYR A 83 -1.052 -14.871 -6.796 1.00 42.11 C ATOM 1348 CE1 TYR A 83 -3.024 -15.071 -8.775 1.00 63.53 C ATOM 1349 CE2 TYR A 83 -0.909 -14.173 -8.000 1.00 0.24 C ATOM 1350 CZ TYR A 83 -1.893 -14.272 -8.990 1.00 44.11 C ATOM 1351 OH TYR A 83 -1.753 -13.581 -10.177 1.00 41.25 O ATOM 0 H TYR A 83 -4.194 -17.413 -3.378 1.00 21.51 H new ATOM 0 HA TYR A 83 -3.091 -14.723 -4.141 1.00 24.12 H new ATOM 0 HB2 TYR A 83 -1.386 -16.455 -4.748 1.00 51.52 H new ATOM 0 HB3 TYR A 83 -2.628 -17.455 -5.475 1.00 51.52 H new ATOM 0 HD1 TYR A 83 -4.037 -16.391 -7.407 1.00 24.30 H new ATOM 0 HD2 TYR A 83 -0.291 -14.793 -6.033 1.00 42.11 H new ATOM 0 HE1 TYR A 83 -3.785 -15.146 -9.538 1.00 63.53 H new ATOM 0 HE2 TYR A 83 -0.038 -13.557 -8.166 1.00 0.24 H new ATOM 0 HH TYR A 83 -0.914 -13.075 -10.164 1.00 41.25 H new ATOM 1361 N LEU A 84 -5.242 -14.430 -5.298 1.00 33.11 N ATOM 1362 CA LEU A 84 -6.528 -14.252 -6.030 1.00 61.52 C ATOM 1363 C LEU A 84 -6.262 -13.838 -7.476 1.00 3.31 C ATOM 1364 O LEU A 84 -5.555 -12.888 -7.744 1.00 1.25 O ATOM 1365 CB LEU A 84 -7.259 -13.140 -5.275 1.00 53.41 C ATOM 1366 CG LEU A 84 -8.571 -12.810 -5.988 1.00 61.24 C ATOM 1367 CD1 LEU A 84 -9.321 -14.104 -6.307 1.00 22.01 C ATOM 1368 CD2 LEU A 84 -9.434 -11.932 -5.082 1.00 41.13 C ATOM 0 H LEU A 84 -4.840 -13.575 -4.913 1.00 33.11 H new ATOM 0 HA LEU A 84 -7.113 -15.171 -6.070 1.00 61.52 H new ATOM 0 HB2 LEU A 84 -7.459 -13.454 -4.251 1.00 53.41 H new ATOM 0 HB3 LEU A 84 -6.631 -12.251 -5.219 1.00 53.41 H new ATOM 0 HG LEU A 84 -8.356 -12.278 -6.915 1.00 61.24 H new ATOM 0 HD11 LEU A 84 -10.256 -13.867 -6.815 1.00 22.01 H new ATOM 0 HD12 LEU A 84 -8.706 -14.731 -6.952 1.00 22.01 H new ATOM 0 HD13 LEU A 84 -9.536 -14.637 -5.381 1.00 22.01 H new ATOM 0 HD21 LEU A 84 -10.370 -11.696 -5.589 1.00 41.13 H new ATOM 0 HD22 LEU A 84 -9.647 -12.465 -4.155 1.00 41.13 H new ATOM 0 HD23 LEU A 84 -8.901 -11.009 -4.855 1.00 41.13 H new ATOM 1380 N GLN A 85 -6.827 -14.549 -8.415 1.00 13.51 N ATOM 1381 CA GLN A 85 -6.604 -14.197 -9.843 1.00 13.54 C ATOM 1382 C GLN A 85 -7.811 -13.424 -10.388 1.00 44.11 C ATOM 1383 O GLN A 85 -8.946 -13.850 -10.256 1.00 61.12 O ATOM 1384 CB GLN A 85 -6.417 -15.541 -10.559 1.00 14.03 C ATOM 1385 CG GLN A 85 -7.780 -16.135 -10.939 1.00 0.43 C ATOM 1386 CD GLN A 85 -8.307 -15.487 -12.228 1.00 1.41 C ATOM 1387 OE1 GLN A 85 -9.349 -15.868 -12.722 1.00 33.43 O ATOM 1388 NE2 GLN A 85 -7.639 -14.519 -12.799 1.00 42.02 N ATOM 0 H GLN A 85 -7.431 -15.355 -8.254 1.00 13.51 H new ATOM 0 HA GLN A 85 -5.738 -13.551 -9.989 1.00 13.54 H new ATOM 0 HB2 GLN A 85 -5.810 -15.403 -11.454 1.00 14.03 H new ATOM 0 HB3 GLN A 85 -5.878 -16.234 -9.912 1.00 14.03 H new ATOM 0 HG2 GLN A 85 -7.688 -17.212 -11.077 1.00 0.43 H new ATOM 0 HG3 GLN A 85 -8.491 -15.977 -10.128 1.00 0.43 H new ATOM 0 HE21 GLN A 85 -6.763 -14.193 -12.390 1.00 42.02 H new ATOM 0 HE22 GLN A 85 -7.994 -14.089 -13.653 1.00 42.02 H new ATOM 1397 N LEU A 86 -7.575 -12.292 -10.993 1.00 32.22 N ATOM 1398 CA LEU A 86 -8.703 -11.484 -11.544 1.00 33.42 C ATOM 1399 C LEU A 86 -8.488 -11.218 -13.037 1.00 13.43 C ATOM 1400 O LEU A 86 -7.578 -10.506 -13.417 1.00 40.24 O ATOM 1401 CB LEU A 86 -8.661 -10.174 -10.756 1.00 22.31 C ATOM 1402 CG LEU A 86 -10.053 -9.864 -10.208 1.00 72.13 C ATOM 1403 CD1 LEU A 86 -11.022 -9.648 -11.374 1.00 72.02 C ATOM 1404 CD2 LEU A 86 -10.535 -11.039 -9.354 1.00 33.25 C ATOM 0 H LEU A 86 -6.648 -11.890 -11.130 1.00 32.22 H new ATOM 0 HA LEU A 86 -9.663 -11.992 -11.450 1.00 33.42 H new ATOM 0 HB2 LEU A 86 -7.946 -10.252 -9.937 1.00 22.31 H new ATOM 0 HB3 LEU A 86 -8.322 -9.361 -11.399 1.00 22.31 H new ATOM 0 HG LEU A 86 -10.013 -8.962 -9.597 1.00 72.13 H new ATOM 0 HD11 LEU A 86 -12.016 -9.427 -10.985 1.00 72.02 H new ATOM 0 HD12 LEU A 86 -10.677 -8.813 -11.984 1.00 72.02 H new ATOM 0 HD13 LEU A 86 -11.064 -10.550 -11.984 1.00 72.02 H new ATOM 0 HD21 LEU A 86 -11.528 -10.820 -8.962 1.00 33.25 H new ATOM 0 HD22 LEU A 86 -10.577 -11.940 -9.966 1.00 33.25 H new ATOM 0 HD23 LEU A 86 -9.844 -11.194 -8.526 1.00 33.25 H new