USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 620 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 : 1 23 TYR OH : rot 30:sc= -1.36 USER MOD Single : 1 25 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0.025) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.062 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.36 K(o=-2.4,f=-0.24) USER MOD Single : 1 33 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.034) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.159 USER MOD Single : 1 40 SER OG : rot 113:sc= 0.319 USER MOD Single : 1 50 LYS NZ :NH3+ -111:sc= -1.52! (180deg=-4.92!) USER MOD Single : 1 53 GLN : amide:sc= -13.7! C(o=-14!,f=-20!) USER MOD Single : 1 58 THR OG1 : rot -145:sc= -0.851 USER MOD Single : 2 23 TYR OH : rot 175:sc= -0.596 USER MOD Single : 2 25 HIS : no HE2:sc= -0.205 K(o=-0.21,f=-1.2) USER MOD Single : 2 27 THR OG1 : rot 57:sc= 0.179 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.02 K(o=-1,f=-0.026) USER MOD Single : 2 33 ASN : amide:sc= -0.112 K(o=-0.11,f=-2!) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0778 USER MOD Single : 2 40 SER OG : rot 180:sc= -0.199 USER MOD Single : 2 50 LYS NZ :NH3+ -159:sc= -4.23! (180deg=-5.48!) USER MOD Single : 2 53 GLN : amide:sc= -12.8! C(o=-13!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -3.09! USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.378 -16.638 -2.133 1.00 0.00 N ATOM 229 CA ASP 1 17 1.321 -16.004 -2.902 1.00 0.00 C ATOM 230 C ASP 1 17 1.392 -14.488 -2.704 1.00 0.00 C ATOM 231 O ASP 1 17 0.435 -13.774 -3.000 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.057 -16.477 -2.438 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.189 -16.261 -3.445 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.318 -17.118 -4.345 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.897 -15.242 -3.293 1.00 0.00 O ATOM 0 HA ASP 1 17 1.460 -16.271 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.001 -17.540 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.310 -15.958 -1.513 1.00 0.00 H new ATOM 240 N ARG 1 18 2.535 -14.041 -2.204 1.00 0.00 N ATOM 241 CA ARG 1 18 2.743 -12.623 -1.962 1.00 0.00 C ATOM 242 C ARG 1 18 3.330 -11.954 -3.206 1.00 0.00 C ATOM 243 O ARG 1 18 3.719 -12.633 -4.156 1.00 0.00 O ATOM 244 CB ARG 1 18 3.683 -12.399 -0.777 1.00 0.00 C ATOM 245 CG ARG 1 18 3.225 -13.197 0.445 1.00 0.00 C ATOM 246 CD ARG 1 18 4.422 -13.789 1.193 1.00 0.00 C ATOM 247 NE ARG 1 18 3.988 -14.318 2.505 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.823 -14.607 3.513 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.141 -14.420 3.365 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.339 -15.084 4.668 1.00 0.00 N ATOM 0 H ARG 1 18 3.327 -14.636 -1.960 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.775 -12.180 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.696 -12.695 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.717 -11.338 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.657 -12.551 1.114 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.556 -13.998 0.131 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.873 -14.586 0.602 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.187 -13.025 1.335 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.990 -14.472 2.652 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.509 -14.058 2.485 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.777 -14.640 4.132 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.335 -15.227 4.780 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.974 -15.304 5.435 1.00 0.00 H new ATOM 264 N VAL 1 19 3.378 -10.631 -3.160 1.00 0.00 N ATOM 265 CA VAL 1 19 3.913 -9.862 -4.271 1.00 0.00 C ATOM 266 C VAL 1 19 5.341 -9.424 -3.942 1.00 0.00 C ATOM 267 O VAL 1 19 5.861 -8.485 -4.544 1.00 0.00 O ATOM 268 CB VAL 1 19 2.985 -8.687 -4.589 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.497 -7.895 -5.793 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.551 -9.167 -4.818 1.00 0.00 C ATOM 0 H VAL 1 19 3.055 -10.072 -2.371 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.961 -10.474 -5.171 1.00 0.00 H new ATOM 0 HB VAL 1 19 2.981 -8.020 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.820 -7.066 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.492 -7.506 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.545 -8.548 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.913 -8.312 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.530 -9.865 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.187 -9.666 -3.920 1.00 0.00 H new ATOM 280 N ASP 1 20 5.936 -10.124 -2.988 1.00 0.00 N ATOM 281 CA ASP 1 20 7.295 -9.819 -2.572 1.00 0.00 C ATOM 282 C ASP 1 20 7.552 -8.322 -2.743 1.00 0.00 C ATOM 283 O ASP 1 20 7.983 -7.880 -3.807 1.00 0.00 O ATOM 284 CB ASP 1 20 8.315 -10.576 -3.426 1.00 0.00 C ATOM 285 CG ASP 1 20 9.681 -9.898 -3.553 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.364 -9.796 -2.510 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.011 -9.495 -4.689 1.00 0.00 O ATOM 0 H ASP 1 20 5.502 -10.902 -2.491 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.404 -10.119 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.457 -11.569 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.900 -10.714 -4.424 1.00 0.00 H new ATOM 292 N CYS 1 21 7.276 -7.581 -1.680 1.00 0.00 N ATOM 293 CA CYS 1 21 7.472 -6.141 -1.700 1.00 0.00 C ATOM 294 C CYS 1 21 8.910 -5.858 -2.139 1.00 0.00 C ATOM 295 O CYS 1 21 9.170 -4.880 -2.838 1.00 0.00 O ATOM 296 CB CYS 1 21 7.155 -5.508 -0.344 1.00 0.00 C ATOM 297 SG CYS 1 21 6.162 -3.973 -0.428 1.00 0.00 S ATOM 0 H CYS 1 21 6.918 -7.951 -0.799 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.780 -5.687 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.621 -6.237 0.266 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.092 -5.290 0.168 1.00 0.00 H new ATOM 302 N GLY 1 22 9.809 -6.732 -1.710 1.00 0.00 N ATOM 303 CA GLY 1 22 11.215 -6.589 -2.050 1.00 0.00 C ATOM 304 C GLY 1 22 11.759 -5.242 -1.571 1.00 0.00 C ATOM 305 O GLY 1 22 12.311 -4.476 -2.360 1.00 0.00 O ATOM 0 H GLY 1 22 9.591 -7.542 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.787 -7.399 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.343 -6.674 -3.129 1.00 0.00 H new ATOM 309 N TYR 1 23 11.585 -4.994 -0.282 1.00 0.00 N ATOM 310 CA TYR 1 23 12.054 -3.752 0.311 1.00 0.00 C ATOM 311 C TYR 1 23 13.494 -3.891 0.807 1.00 0.00 C ATOM 312 O TYR 1 23 13.874 -4.931 1.343 1.00 0.00 O ATOM 313 CB TYR 1 23 11.139 -3.486 1.508 1.00 0.00 C ATOM 314 CG TYR 1 23 10.683 -2.030 1.632 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.375 -1.305 0.498 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.582 -1.442 2.875 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.947 0.064 0.614 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.154 -0.072 2.992 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.857 0.613 1.855 1.00 0.00 C ATOM 320 OH TYR 1 23 9.453 1.908 1.966 1.00 0.00 O ATOM 0 H TYR 1 23 11.126 -5.631 0.369 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.032 -2.944 -0.421 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.260 -4.126 1.430 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.661 -3.772 2.421 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.455 -1.765 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.824 -2.009 3.762 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.703 0.642 -0.265 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.071 0.400 3.960 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.848 2.127 1.226 1.00 0.00 H new ATOM 330 N PRO 1 24 14.278 -2.797 0.606 1.00 0.00 N ATOM 331 CA PRO 1 24 15.668 -2.786 1.027 1.00 0.00 C ATOM 332 C PRO 1 24 15.781 -2.631 2.545 1.00 0.00 C ATOM 333 O PRO 1 24 16.856 -2.815 3.114 1.00 0.00 O ATOM 334 CB PRO 1 24 16.302 -1.635 0.264 1.00 0.00 C ATOM 335 CG PRO 1 24 15.150 -0.757 -0.198 1.00 0.00 C ATOM 336 CD PRO 1 24 13.863 -1.548 -0.025 1.00 0.00 C ATOM 0 HA PRO 1 24 16.181 -3.722 0.807 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.989 -1.076 0.900 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.880 -2.000 -0.585 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.114 0.163 0.385 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.284 -0.469 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.147 -1.009 0.596 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.378 -1.731 -0.984 1.00 0.00 H new ATOM 344 N HIS 1 25 14.656 -2.294 3.158 1.00 0.00 N ATOM 345 CA HIS 1 25 14.615 -2.112 4.599 1.00 0.00 C ATOM 346 C HIS 1 25 13.551 -3.030 5.202 1.00 0.00 C ATOM 347 O HIS 1 25 12.898 -2.671 6.181 1.00 0.00 O ATOM 348 CB HIS 1 25 14.399 -0.639 4.955 1.00 0.00 C ATOM 349 CG HIS 1 25 15.667 0.101 5.304 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.666 0.355 4.379 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.089 0.640 6.483 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.640 1.016 4.986 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.281 1.192 6.291 1.00 0.00 N ATOM 0 H HIS 1 25 13.766 -2.142 2.683 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.575 -2.393 5.032 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.919 -0.139 4.114 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.711 -0.577 5.798 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.545 0.621 7.416 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.557 1.356 4.529 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.837 1.669 7.001 1.00 0.00 H new ATOM 362 N VAL 1 26 13.408 -4.198 4.593 1.00 0.00 N ATOM 363 CA VAL 1 26 12.433 -5.170 5.058 1.00 0.00 C ATOM 364 C VAL 1 26 12.644 -5.423 6.552 1.00 0.00 C ATOM 365 O VAL 1 26 13.706 -5.886 6.963 1.00 0.00 O ATOM 366 CB VAL 1 26 12.525 -6.445 4.218 1.00 0.00 C ATOM 367 CG1 VAL 1 26 13.982 -6.795 3.907 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.818 -7.612 4.910 1.00 0.00 C ATOM 0 H VAL 1 26 13.951 -4.493 3.782 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.421 -4.786 4.933 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.016 -6.258 3.273 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.018 -7.706 3.309 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.442 -5.978 3.352 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.525 -6.951 4.839 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.899 -8.505 4.291 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.284 -7.798 5.878 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.766 -7.366 5.055 1.00 0.00 H new ATOM 378 N THR 1 27 11.614 -5.107 7.324 1.00 0.00 N ATOM 379 CA THR 1 27 11.673 -5.294 8.763 1.00 0.00 C ATOM 380 C THR 1 27 10.280 -5.142 9.378 1.00 0.00 C ATOM 381 O THR 1 27 9.421 -4.462 8.818 1.00 0.00 O ATOM 382 CB THR 1 27 12.696 -4.307 9.327 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.606 -5.127 10.054 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.097 -3.383 10.389 1.00 0.00 C ATOM 0 H THR 1 27 10.734 -4.723 6.979 1.00 0.00 H new ATOM 0 HA THR 1 27 11.999 -6.303 9.017 1.00 0.00 H new ATOM 0 HB THR 1 27 13.106 -3.707 8.514 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.305 -4.567 10.452 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.866 -2.703 10.755 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.282 -2.807 9.952 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.716 -3.980 11.218 1.00 0.00 H new ATOM 392 N PRO 1 28 10.094 -5.803 10.552 1.00 0.00 N ATOM 393 CA PRO 1 28 8.820 -5.748 11.249 1.00 0.00 C ATOM 394 C PRO 1 28 8.632 -4.397 11.940 1.00 0.00 C ATOM 395 O PRO 1 28 8.429 -4.338 13.152 1.00 0.00 O ATOM 396 CB PRO 1 28 8.855 -6.914 12.223 1.00 0.00 C ATOM 397 CG PRO 1 28 10.319 -7.295 12.366 1.00 0.00 C ATOM 398 CD PRO 1 28 11.089 -6.617 11.245 1.00 0.00 C ATOM 0 HA PRO 1 28 7.967 -5.834 10.576 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.429 -6.631 13.186 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.268 -7.753 11.849 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.702 -6.980 13.337 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.439 -8.377 12.311 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.900 -6.003 11.637 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.539 -7.349 10.574 1.00 0.00 H new ATOM 406 N LYS 1 29 8.704 -3.343 11.140 1.00 0.00 N ATOM 407 CA LYS 1 29 8.545 -1.995 11.659 1.00 0.00 C ATOM 408 C LYS 1 29 8.662 -0.993 10.510 1.00 0.00 C ATOM 409 O LYS 1 29 8.117 0.108 10.584 1.00 0.00 O ATOM 410 CB LYS 1 29 9.531 -1.740 12.801 1.00 0.00 C ATOM 411 CG LYS 1 29 9.284 -0.374 13.444 1.00 0.00 C ATOM 412 CD LYS 1 29 9.258 -0.483 14.969 1.00 0.00 C ATOM 413 CE LYS 1 29 10.668 -0.363 15.552 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.713 -0.929 16.919 1.00 0.00 N ATOM 0 H LYS 1 29 8.871 -3.396 10.135 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.553 -1.869 12.092 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.432 -2.523 13.553 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.552 -1.788 12.422 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.065 0.322 13.139 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.337 0.033 13.089 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.622 0.300 15.382 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.820 -1.437 15.261 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 11.378 -0.886 14.912 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 10.971 0.684 15.575 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 11.677 -0.840 17.300 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 10.049 -0.412 17.531 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 10.445 -1.933 16.888 1.00 0.00 H new ATOM 428 N GLU 1 30 9.377 -1.409 9.475 1.00 0.00 N ATOM 429 CA GLU 1 30 9.573 -0.560 8.312 1.00 0.00 C ATOM 430 C GLU 1 30 8.575 -0.929 7.211 1.00 0.00 C ATOM 431 O GLU 1 30 7.961 -0.052 6.607 1.00 0.00 O ATOM 432 CB GLU 1 30 11.012 -0.655 7.801 1.00 0.00 C ATOM 433 CG GLU 1 30 11.814 0.589 8.188 1.00 0.00 C ATOM 434 CD GLU 1 30 13.143 0.203 8.843 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.843 -0.643 8.248 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.426 0.764 9.922 1.00 0.00 O ATOM 0 H GLU 1 30 9.827 -2.322 9.417 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.394 0.474 8.607 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.490 -1.543 8.213 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.010 -0.768 6.717 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.004 1.194 7.301 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.231 1.203 8.874 1.00 0.00 H new ATOM 443 N CYS 1 31 8.445 -2.229 6.987 1.00 0.00 N ATOM 444 CA CYS 1 31 7.533 -2.724 5.970 1.00 0.00 C ATOM 445 C CYS 1 31 6.107 -2.356 6.384 1.00 0.00 C ATOM 446 O CYS 1 31 5.383 -1.709 5.627 1.00 0.00 O ATOM 447 CB CYS 1 31 7.692 -4.230 5.752 1.00 0.00 C ATOM 448 SG CYS 1 31 9.013 -4.698 4.575 1.00 0.00 S ATOM 0 H CYS 1 31 8.956 -2.953 7.492 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.765 -2.258 5.012 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.896 -4.703 6.713 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.745 -4.633 5.393 1.00 0.00 H new ATOM 453 N ASN 1 32 5.744 -2.783 7.585 1.00 0.00 N ATOM 454 CA ASN 1 32 4.417 -2.507 8.109 1.00 0.00 C ATOM 455 C ASN 1 32 4.243 -0.995 8.272 1.00 0.00 C ATOM 456 O ASN 1 32 3.157 -0.525 8.608 1.00 0.00 O ATOM 457 CB ASN 1 32 4.220 -3.156 9.480 1.00 0.00 C ATOM 458 CG ASN 1 32 3.540 -4.521 9.348 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.481 -4.772 9.900 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.206 -5.385 8.586 1.00 0.00 N ATOM 0 H ASN 1 32 6.346 -3.318 8.210 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.687 -2.914 7.410 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.185 -3.273 9.973 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.616 -2.504 10.111 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.835 -6.323 8.434 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.088 -5.109 8.153 1.00 0.00 H new ATOM 467 N ASN 1 33 5.329 -0.277 8.028 1.00 0.00 N ATOM 468 CA ASN 1 33 5.310 1.171 8.144 1.00 0.00 C ATOM 469 C ASN 1 33 5.320 1.791 6.746 1.00 0.00 C ATOM 470 O ASN 1 33 4.814 2.894 6.548 1.00 0.00 O ATOM 471 CB ASN 1 33 6.542 1.680 8.895 1.00 0.00 C ATOM 472 CG ASN 1 33 6.637 3.205 8.823 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.720 3.928 9.175 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.796 3.653 8.348 1.00 0.00 N ATOM 0 H ASN 1 33 6.228 -0.671 7.750 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.411 1.453 8.692 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.493 1.364 9.937 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.441 1.236 8.469 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.958 4.656 8.261 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.523 2.993 8.071 1.00 0.00 H new ATOM 481 N ARG 1 34 5.903 1.054 5.811 1.00 0.00 N ATOM 482 CA ARG 1 34 5.985 1.517 4.436 1.00 0.00 C ATOM 483 C ARG 1 34 4.711 1.150 3.674 1.00 0.00 C ATOM 484 O ARG 1 34 4.309 1.856 2.750 1.00 0.00 O ATOM 485 CB ARG 1 34 7.193 0.907 3.721 1.00 0.00 C ATOM 486 CG ARG 1 34 6.842 -0.454 3.117 1.00 0.00 C ATOM 487 CD ARG 1 34 6.162 -0.291 1.755 1.00 0.00 C ATOM 488 NE ARG 1 34 7.057 -0.776 0.682 1.00 0.00 N ATOM 489 CZ ARG 1 34 6.696 -0.888 -0.604 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.456 -0.550 -0.984 1.00 0.00 N ATOM 491 NH2 ARG 1 34 7.575 -1.339 -1.510 1.00 0.00 N ATOM 0 H ARG 1 34 6.323 0.140 5.979 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.099 2.601 4.458 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.533 1.581 2.935 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.018 0.795 4.424 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.747 -1.051 3.006 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.183 -0.997 3.794 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.225 -0.848 1.738 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 5.913 0.757 1.587 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.008 -1.042 0.937 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 4.787 -0.207 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.181 -0.635 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.519 -1.597 -1.221 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.300 -1.424 -2.489 1.00 0.00 H new ATOM 505 N GLY 1 35 4.110 0.044 4.089 1.00 0.00 N ATOM 506 CA GLY 1 35 2.888 -0.426 3.458 1.00 0.00 C ATOM 507 C GLY 1 35 3.021 -1.889 3.030 1.00 0.00 C ATOM 508 O GLY 1 35 2.321 -2.342 2.126 1.00 0.00 O ATOM 0 H GLY 1 35 4.447 -0.540 4.854 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.053 -0.320 4.150 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.662 0.192 2.589 1.00 0.00 H new ATOM 512 N CYS 1 36 3.923 -2.589 3.701 1.00 0.00 N ATOM 513 CA CYS 1 36 4.157 -3.992 3.402 1.00 0.00 C ATOM 514 C CYS 1 36 3.902 -4.803 4.674 1.00 0.00 C ATOM 515 O CYS 1 36 3.649 -4.236 5.736 1.00 0.00 O ATOM 516 CB CYS 1 36 5.564 -4.226 2.847 1.00 0.00 C ATOM 517 SG CYS 1 36 5.939 -3.322 1.301 1.00 0.00 S ATOM 0 H CYS 1 36 4.501 -2.211 4.451 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.471 -4.319 2.620 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.291 -3.937 3.606 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.696 -5.293 2.669 1.00 0.00 H new ATOM 522 N CYS 1 37 3.980 -6.117 4.525 1.00 0.00 N ATOM 523 CA CYS 1 37 3.761 -7.012 5.649 1.00 0.00 C ATOM 524 C CYS 1 37 5.021 -7.858 5.841 1.00 0.00 C ATOM 525 O CYS 1 37 5.462 -8.541 4.917 1.00 0.00 O ATOM 526 CB CYS 1 37 2.517 -7.879 5.448 1.00 0.00 C ATOM 527 SG CYS 1 37 1.742 -8.479 6.993 1.00 0.00 S ATOM 0 H CYS 1 37 4.192 -6.584 3.643 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.575 -6.429 6.551 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.779 -7.306 4.887 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.786 -8.739 4.835 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.699 -9.199 6.704 1.00 0.00 H new ATOM 532 N PHE 1 38 5.567 -7.786 7.047 1.00 0.00 N ATOM 533 CA PHE 1 38 6.767 -8.536 7.371 1.00 0.00 C ATOM 534 C PHE 1 38 6.416 -9.910 7.946 1.00 0.00 C ATOM 535 O PHE 1 38 5.724 -10.005 8.958 1.00 0.00 O ATOM 536 CB PHE 1 38 7.524 -7.732 8.431 1.00 0.00 C ATOM 537 CG PHE 1 38 8.880 -8.329 8.813 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.968 -8.106 8.029 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.997 -9.083 9.939 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.225 -8.660 8.384 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.254 -9.639 10.294 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.343 -9.415 9.510 1.00 0.00 C ATOM 0 H PHE 1 38 5.199 -7.219 7.811 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.364 -8.689 6.472 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.676 -6.717 8.063 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.906 -7.657 9.326 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.875 -7.507 7.135 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.133 -9.259 10.563 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.089 -8.482 7.760 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.346 -10.240 11.187 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.300 -9.836 9.781 1.00 0.00 H new ATOM 552 N ASP 1 39 6.910 -10.941 7.275 1.00 0.00 N ATOM 553 CA ASP 1 39 6.657 -12.305 7.706 1.00 0.00 C ATOM 554 C ASP 1 39 7.759 -12.742 8.673 1.00 0.00 C ATOM 555 O ASP 1 39 7.595 -12.649 9.890 1.00 0.00 O ATOM 556 CB ASP 1 39 6.662 -13.268 6.517 1.00 0.00 C ATOM 557 CG ASP 1 39 6.628 -14.752 6.888 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.564 -15.191 7.377 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.665 -15.414 6.671 1.00 0.00 O ATOM 0 H ASP 1 39 7.484 -10.858 6.436 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.679 -12.331 8.187 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.801 -13.047 5.886 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.553 -13.079 5.919 1.00 0.00 H new ATOM 564 N SER 1 40 8.856 -13.209 8.097 1.00 0.00 N ATOM 565 CA SER 1 40 9.985 -13.660 8.893 1.00 0.00 C ATOM 566 C SER 1 40 9.834 -15.148 9.217 1.00 0.00 C ATOM 567 O SER 1 40 10.806 -15.810 9.580 1.00 0.00 O ATOM 568 CB SER 1 40 10.111 -12.847 10.182 1.00 0.00 C ATOM 569 OG SER 1 40 11.471 -12.661 10.565 1.00 0.00 O ATOM 0 H SER 1 40 8.988 -13.285 7.088 1.00 0.00 H new ATOM 0 HA SER 1 40 10.895 -13.511 8.312 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.637 -11.875 10.046 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.574 -13.354 10.984 1.00 0.00 H new ATOM 0 HG SER 1 40 11.707 -11.713 10.485 1.00 0.00 H new ATOM 575 N ARG 1 41 8.610 -15.631 9.074 1.00 0.00 N ATOM 576 CA ARG 1 41 8.319 -17.029 9.347 1.00 0.00 C ATOM 577 C ARG 1 41 9.136 -17.932 8.421 1.00 0.00 C ATOM 578 O ARG 1 41 9.719 -18.919 8.866 1.00 0.00 O ATOM 579 CB ARG 1 41 6.831 -17.329 9.158 1.00 0.00 C ATOM 580 CG ARG 1 41 5.978 -16.504 10.123 1.00 0.00 C ATOM 581 CD ARG 1 41 4.857 -17.353 10.728 1.00 0.00 C ATOM 582 NE ARG 1 41 5.414 -18.275 11.744 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.682 -18.882 12.688 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.360 -18.670 12.752 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.272 -19.702 13.568 1.00 0.00 N ATOM 0 H ARG 1 41 7.807 -15.080 8.772 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.589 -17.227 10.384 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.540 -17.109 8.131 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.647 -18.391 9.321 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.606 -16.105 10.919 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.549 -15.651 9.597 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 4.106 -16.708 11.183 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.356 -17.921 9.944 1.00 0.00 H new ATOM 0 HE ARG 1 41 6.417 -18.459 11.724 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.910 -18.046 12.082 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.804 -19.133 13.471 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 6.278 -19.864 13.519 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.715 -20.164 14.287 1.00 0.00 H new ATOM 599 N ILE 1 42 9.153 -17.561 7.149 1.00 0.00 N ATOM 600 CA ILE 1 42 9.889 -18.325 6.156 1.00 0.00 C ATOM 601 C ILE 1 42 10.940 -17.425 5.503 1.00 0.00 C ATOM 602 O ILE 1 42 10.599 -16.493 4.776 1.00 0.00 O ATOM 603 CB ILE 1 42 8.928 -18.973 5.158 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.557 -19.212 5.793 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.523 -20.258 4.578 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.689 -20.105 4.905 1.00 0.00 C ATOM 0 H ILE 1 42 8.669 -16.741 6.783 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.424 -19.149 6.629 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.782 -18.283 4.327 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.681 -19.677 6.771 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.056 -18.258 5.955 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.819 -20.698 3.872 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.456 -20.027 4.064 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.718 -20.965 5.384 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.720 -20.259 5.380 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.546 -19.626 3.936 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.181 -21.067 4.765 1.00 0.00 H new ATOM 618 N PRO 1 43 12.230 -17.744 5.793 1.00 0.00 N ATOM 619 CA PRO 1 43 13.333 -16.974 5.241 1.00 0.00 C ATOM 620 C PRO 1 43 13.547 -17.305 3.763 1.00 0.00 C ATOM 621 O PRO 1 43 14.398 -16.707 3.106 1.00 0.00 O ATOM 622 CB PRO 1 43 14.530 -17.327 6.108 1.00 0.00 C ATOM 623 CG PRO 1 43 14.167 -18.622 6.815 1.00 0.00 C ATOM 624 CD PRO 1 43 12.671 -18.839 6.650 1.00 0.00 C ATOM 0 HA PRO 1 43 13.147 -15.900 5.259 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.428 -17.451 5.502 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.738 -16.535 6.827 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.723 -19.458 6.390 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.431 -18.567 7.871 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.459 -19.807 6.196 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.160 -18.819 7.612 1.00 0.00 H new ATOM 632 N GLY 1 44 12.760 -18.257 3.282 1.00 0.00 N ATOM 633 CA GLY 1 44 12.853 -18.675 1.894 1.00 0.00 C ATOM 634 C GLY 1 44 11.820 -17.946 1.032 1.00 0.00 C ATOM 635 O GLY 1 44 11.806 -18.099 -0.188 1.00 0.00 O ATOM 0 H GLY 1 44 12.055 -18.751 3.830 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.855 -18.473 1.516 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.697 -19.751 1.823 1.00 0.00 H new ATOM 639 N VAL 1 45 10.980 -17.170 1.701 1.00 0.00 N ATOM 640 CA VAL 1 45 9.946 -16.417 1.012 1.00 0.00 C ATOM 641 C VAL 1 45 10.139 -14.925 1.287 1.00 0.00 C ATOM 642 O VAL 1 45 11.089 -14.531 1.962 1.00 0.00 O ATOM 643 CB VAL 1 45 8.565 -16.928 1.424 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.585 -18.441 1.651 1.00 0.00 C ATOM 645 CG2 VAL 1 45 8.057 -16.194 2.666 1.00 0.00 C ATOM 0 H VAL 1 45 10.994 -17.046 2.713 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.022 -16.561 -0.066 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.874 -16.721 0.607 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.590 -18.778 1.943 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.883 -18.943 0.730 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.296 -18.681 2.441 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 7.073 -16.576 2.938 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.750 -16.355 3.492 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.986 -15.127 2.454 1.00 0.00 H new ATOM 655 N PRO 1 46 9.198 -14.113 0.736 1.00 0.00 N ATOM 656 CA PRO 1 46 9.254 -12.672 0.914 1.00 0.00 C ATOM 657 C PRO 1 46 8.817 -12.277 2.327 1.00 0.00 C ATOM 658 O PRO 1 46 7.672 -12.510 2.715 1.00 0.00 O ATOM 659 CB PRO 1 46 8.349 -12.105 -0.167 1.00 0.00 C ATOM 660 CG PRO 1 46 7.460 -13.254 -0.612 1.00 0.00 C ATOM 661 CD PRO 1 46 8.058 -14.543 -0.070 1.00 0.00 C ATOM 0 HA PRO 1 46 10.265 -12.276 0.816 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.754 -11.277 0.217 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.933 -11.717 -1.002 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.445 -13.118 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.398 -13.290 -1.700 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.334 -15.094 0.530 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.371 -15.205 -0.878 1.00 0.00 H new ATOM 669 N TRP 1 47 9.751 -11.687 3.058 1.00 0.00 N ATOM 670 CA TRP 1 47 9.477 -11.258 4.419 1.00 0.00 C ATOM 671 C TRP 1 47 8.994 -9.806 4.369 1.00 0.00 C ATOM 672 O TRP 1 47 9.170 -9.057 5.328 1.00 0.00 O ATOM 673 CB TRP 1 47 10.704 -11.450 5.312 1.00 0.00 C ATOM 674 CG TRP 1 47 11.810 -12.295 4.677 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.836 -13.622 4.500 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.058 -11.811 4.137 1.00 0.00 C ATOM 677 NE1 TRP 1 47 13.005 -14.029 3.889 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.771 -12.891 3.661 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.567 -10.502 4.054 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.034 -12.776 3.069 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.832 -10.403 3.460 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.563 -11.482 2.976 1.00 0.00 C ATOM 0 H TRP 1 47 10.699 -11.496 2.733 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.694 -11.870 4.866 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.110 -10.472 5.569 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.392 -11.920 6.245 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.042 -14.290 4.798 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.260 -14.987 3.649 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.026 -9.642 4.419 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.572 -13.638 2.704 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.270 -9.420 3.372 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.534 -11.323 2.530 1.00 0.00 H new ATOM 693 N CYS 1 48 8.395 -9.454 3.242 1.00 0.00 N ATOM 694 CA CYS 1 48 7.886 -8.106 3.054 1.00 0.00 C ATOM 695 C CYS 1 48 7.058 -8.080 1.768 1.00 0.00 C ATOM 696 O CYS 1 48 7.610 -8.116 0.669 1.00 0.00 O ATOM 697 CB CYS 1 48 9.015 -7.074 3.028 1.00 0.00 C ATOM 698 SG CYS 1 48 8.460 -5.332 2.930 1.00 0.00 S ATOM 0 H CYS 1 48 8.250 -10.079 2.449 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.252 -7.833 3.898 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.622 -7.197 3.925 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.660 -7.284 2.175 1.00 0.00 H new ATOM 703 N PHE 1 49 5.747 -8.016 1.947 1.00 0.00 N ATOM 704 CA PHE 1 49 4.837 -7.984 0.814 1.00 0.00 C ATOM 705 C PHE 1 49 3.668 -7.033 1.077 1.00 0.00 C ATOM 706 O PHE 1 49 3.684 -6.277 2.046 1.00 0.00 O ATOM 707 CB PHE 1 49 4.294 -9.404 0.637 1.00 0.00 C ATOM 708 CG PHE 1 49 4.247 -10.218 1.931 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.403 -10.586 2.546 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.049 -10.575 2.467 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.359 -11.342 3.747 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.004 -11.331 3.667 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.160 -11.699 4.282 1.00 0.00 C ATOM 0 H PHE 1 49 5.293 -7.985 2.860 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.362 -7.635 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.289 -9.348 0.218 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.913 -9.931 -0.089 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.355 -10.303 2.121 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.131 -10.283 1.979 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.277 -11.634 4.236 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.052 -11.614 4.092 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.126 -12.275 5.195 1.00 0.00 H new ATOM 723 N LYS 1 50 2.681 -7.102 0.195 1.00 0.00 N ATOM 724 CA LYS 1 50 1.507 -6.256 0.319 1.00 0.00 C ATOM 725 C LYS 1 50 0.258 -7.135 0.412 1.00 0.00 C ATOM 726 O LYS 1 50 -0.552 -7.169 -0.513 1.00 0.00 O ATOM 727 CB LYS 1 50 1.457 -5.237 -0.821 1.00 0.00 C ATOM 728 CG LYS 1 50 1.562 -5.929 -2.181 1.00 0.00 C ATOM 729 CD LYS 1 50 2.583 -5.226 -3.077 1.00 0.00 C ATOM 730 CE LYS 1 50 4.007 -5.437 -2.557 1.00 0.00 C ATOM 731 NZ LYS 1 50 4.987 -4.766 -3.440 1.00 0.00 N ATOM 0 H LYS 1 50 2.671 -7.731 -0.608 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.555 -5.671 1.237 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.526 -4.672 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.271 -4.521 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.852 -6.971 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.587 -5.932 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 2.503 -5.608 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.362 -4.160 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 4.092 -5.043 -1.544 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.227 -6.503 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 5.549 -5.482 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.483 -4.174 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 5.618 -4.170 -2.868 1.00 0.00 H new ATOM 745 N PRO 1 51 0.138 -7.844 1.567 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.998 -8.721 1.792 1.00 0.00 C ATOM 747 C PRO 1 51 -2.257 -7.915 2.116 1.00 0.00 C ATOM 748 O PRO 1 51 -2.901 -7.375 1.218 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.569 -9.635 2.928 1.00 0.00 C ATOM 750 CG PRO 1 51 0.601 -8.940 3.604 1.00 0.00 C ATOM 751 CD PRO 1 51 1.078 -7.829 2.684 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.263 -9.302 0.909 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.387 -9.795 3.631 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.276 -10.615 2.551 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.298 -8.533 4.569 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.407 -9.649 3.796 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.074 -6.865 3.192 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.099 -8.006 2.345 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.570 -7.859 3.403 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.741 -7.127 3.856 1.00 0.00 C ATOM 761 C LEU 1 52 -3.335 -5.696 4.215 1.00 0.00 C ATOM 762 O LEU 1 52 -3.879 -5.108 5.149 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.431 -7.875 4.998 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.956 -7.530 6.411 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.037 -6.769 7.182 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.494 -8.783 7.157 1.00 0.00 C ATOM 0 H LEU 1 52 -2.034 -8.308 4.145 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.480 -7.058 3.058 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.502 -7.680 4.939 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.293 -8.945 4.841 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.093 -6.869 6.329 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.674 -6.536 8.183 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.275 -5.843 6.658 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.933 -7.385 7.255 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.162 -8.509 8.158 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.321 -9.489 7.230 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.669 -9.246 6.615 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.382 -5.176 3.455 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.897 -3.826 3.681 1.00 0.00 C ATOM 780 C GLN 1 53 -3.063 -2.833 3.665 1.00 0.00 C ATOM 781 O GLN 1 53 -2.937 -1.714 4.159 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.838 -3.443 2.647 1.00 0.00 C ATOM 783 CG GLN 1 53 0.374 -4.373 2.735 1.00 0.00 C ATOM 784 CD GLN 1 53 0.954 -4.386 4.150 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.729 -3.528 4.540 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.539 -5.407 4.895 1.00 0.00 N ATOM 0 H GLN 1 53 -1.933 -5.666 2.682 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.427 -3.790 4.664 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.267 -3.492 1.646 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.523 -2.412 2.808 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.083 -5.384 2.448 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.138 -4.049 2.028 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.111 -6.091 4.507 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.871 -5.506 5.854 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.171 -3.280 3.091 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.357 -2.446 3.003 1.00 0.00 C ATOM 797 C GLU 1 54 -5.586 -1.709 4.324 1.00 0.00 C ATOM 798 O GLU 1 54 -6.207 -0.646 4.346 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.583 -3.276 2.618 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.402 -3.649 3.855 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.413 -4.751 3.531 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.085 -5.584 2.658 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.491 -4.737 4.164 1.00 0.00 O ATOM 0 H GLU 1 54 -4.272 -4.209 2.682 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.200 -1.705 2.219 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.204 -2.712 1.922 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.266 -4.181 2.101 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.735 -3.984 4.650 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -7.925 -2.769 4.228 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.072 -2.300 5.392 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.213 -1.713 6.713 1.00 0.00 C ATOM 812 C ALA 1 55 -5.063 -0.194 6.610 1.00 0.00 C ATOM 813 O ALA 1 55 -6.037 0.542 6.769 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.188 -2.337 7.661 1.00 0.00 C ATOM 0 H ALA 1 55 -4.557 -3.180 5.369 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.202 -1.920 7.121 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.294 -1.896 8.652 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.356 -3.412 7.722 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.182 -2.148 7.285 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.838 0.231 6.343 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.548 1.649 6.216 1.00 0.00 C ATOM 822 C GLU 1 56 -2.793 1.922 4.913 1.00 0.00 C ATOM 823 O GLU 1 56 -2.057 2.903 4.812 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.759 2.158 7.424 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.700 2.594 8.549 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.949 4.103 8.503 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -4.705 4.525 7.601 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.378 4.799 9.369 1.00 0.00 O ATOM 0 H GLU 1 56 -3.034 -0.382 6.211 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.493 2.192 6.186 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.094 1.374 7.785 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.130 2.997 7.125 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.648 2.063 8.461 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.270 2.322 9.513 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.002 1.039 3.949 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.350 1.172 2.658 1.00 0.00 C ATOM 837 C CYS 1 57 -3.387 1.661 1.644 1.00 0.00 C ATOM 838 O CYS 1 57 -3.214 2.713 1.031 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.695 -0.137 2.216 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.287 0.058 1.064 1.00 0.00 S ATOM 0 H CYS 1 57 -3.614 0.228 4.036 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.542 1.900 2.731 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.350 -0.671 3.101 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.451 -0.762 1.741 1.00 0.00 H new ATOM 845 N THR 1 58 -4.443 0.873 1.500 1.00 0.00 N ATOM 846 CA THR 1 58 -5.508 1.213 0.571 1.00 0.00 C ATOM 847 C THR 1 58 -6.195 2.511 0.999 1.00 0.00 C ATOM 848 O THR 1 58 -6.485 3.368 0.166 1.00 0.00 O ATOM 849 CB THR 1 58 -6.462 0.019 0.489 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.154 0.211 -0.742 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.564 0.076 1.548 1.00 0.00 C ATOM 0 H THR 1 58 -4.584 0.001 2.010 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.116 1.404 -0.428 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.896 -0.906 0.603 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.078 -0.101 -0.650 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.213 -0.794 1.445 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.115 0.078 2.541 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.151 0.984 1.413 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.436 2.615 2.297 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.084 3.794 2.846 1.00 0.00 C ATOM 861 C PHE 1 59 -6.681 5.052 2.072 1.00 0.00 C ATOM 862 O PHE 1 59 -6.785 6.162 2.588 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.612 3.930 4.295 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.690 4.438 5.255 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.980 5.766 5.310 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -8.358 3.563 6.053 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.980 6.239 6.200 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -9.358 4.035 6.943 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.649 5.363 6.998 1.00 0.00 C ATOM 0 H PHE 1 59 -6.194 1.902 2.985 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.167 3.688 2.778 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.257 2.960 4.643 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.761 4.611 4.327 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.449 6.461 4.676 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -8.128 2.509 6.010 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.210 7.293 6.244 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -9.888 3.340 7.577 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.411 5.722 7.675 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.377 15.384 -0.029 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.142 14.293 0.550 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.223 13.088 0.760 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.694 11.987 1.044 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.280 13.863 -0.378 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.212 12.793 0.192 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.246 12.674 1.437 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.868 12.115 -0.628 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.560 14.639 1.495 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.873 14.742 -0.632 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.849 13.490 -1.307 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.931 13.336 0.613 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.942 12.284 0.782 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.448 12.250 2.230 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.866 13.063 3.053 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.749 12.495 -0.151 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.212 12.915 -1.548 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.313 14.016 -2.116 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.725 14.340 -3.501 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -3.901 14.844 -4.430 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.617 15.084 -4.129 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.361 15.108 -5.660 1.00 0.00 N ATOM 0 H ARG 2 18 -6.545 14.250 0.379 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.419 11.336 0.534 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.090 13.259 0.262 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.168 11.575 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.201 12.052 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.242 13.269 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.376 14.907 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.273 13.690 -2.104 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.696 14.169 -3.764 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.267 14.883 -3.192 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -1.990 15.468 -4.837 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.338 14.925 -5.889 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.734 15.492 -6.367 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.564 11.299 2.497 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.008 11.148 3.832 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.548 11.604 3.825 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.782 11.256 4.723 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.183 9.705 4.310 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.975 9.600 5.822 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.551 9.154 3.904 1.00 0.00 C ATOM 0 H VAL 2 19 -4.219 10.626 1.812 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.541 11.779 4.543 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.421 9.096 3.824 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.105 8.564 6.136 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.968 9.932 6.075 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.704 10.229 6.334 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.649 8.127 4.256 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.336 9.766 4.348 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.644 9.176 2.818 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.207 12.377 2.805 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.852 12.885 2.671 1.00 0.00 C ATOM 1161 C ASP 2 20 0.132 11.848 3.214 1.00 0.00 C ATOM 1162 O ASP 2 20 0.547 11.926 4.370 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.666 14.177 3.469 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.764 14.445 3.941 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.662 14.424 3.072 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.926 14.665 5.161 1.00 0.00 O ATOM 0 H ASP 2 20 -2.845 12.664 2.063 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.670 13.085 1.615 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.993 15.016 2.855 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.320 14.146 4.340 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.478 10.899 2.356 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.406 9.847 2.735 1.00 0.00 C ATOM 1173 C CYS 2 21 2.611 10.495 3.422 1.00 0.00 C ATOM 1174 O CYS 2 21 3.171 9.932 4.361 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.822 8.999 1.532 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.024 7.215 1.884 1.00 0.00 S ATOM 0 H CYS 2 21 0.132 10.837 1.399 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.919 9.161 3.428 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.076 9.118 0.746 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.762 9.386 1.140 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.974 11.669 2.925 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.102 12.398 3.480 1.00 0.00 C ATOM 1183 C GLY 2 22 5.356 11.523 3.517 1.00 0.00 C ATOM 1184 O GLY 2 22 5.934 11.305 4.581 1.00 0.00 O ATOM 0 H GLY 2 22 2.508 12.133 2.145 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.293 13.289 2.882 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.861 12.736 4.488 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.741 11.045 2.342 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.916 10.198 2.227 1.00 0.00 C ATOM 1190 C TYR 2 23 8.170 11.033 1.962 1.00 0.00 C ATOM 1191 O TYR 2 23 8.128 11.996 1.197 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.662 9.285 1.027 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.452 7.815 1.396 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.540 7.008 1.660 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.176 7.295 1.466 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.344 5.625 2.007 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.979 5.912 1.813 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.072 5.145 2.066 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.886 3.838 2.395 1.00 0.00 O ATOM 0 H TYR 2 23 5.260 11.228 1.462 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.079 9.640 3.149 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.783 9.643 0.491 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.506 9.360 0.342 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.539 7.415 1.606 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.324 7.926 1.260 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.187 4.983 2.216 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 3.985 5.493 1.871 1.00 0.00 H new ATOM 0 HH TYR 2 23 4.927 3.655 2.478 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.284 10.624 2.625 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.548 11.324 2.468 1.00 0.00 C ATOM 1211 C PRO 2 24 11.190 10.999 1.118 1.00 0.00 C ATOM 1212 O PRO 2 24 12.244 11.538 0.782 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.393 10.879 3.649 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.751 9.600 4.164 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.371 9.488 3.539 1.00 0.00 C ATOM 0 HA PRO 2 24 10.431 12.408 2.465 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.425 10.703 3.346 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.414 11.645 4.424 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.360 8.735 3.902 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.677 9.621 5.251 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.252 8.543 3.009 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.589 9.529 4.297 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.528 10.121 0.380 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.021 9.719 -0.927 1.00 0.00 C ATOM 1225 C HIS 2 25 9.926 9.926 -1.975 1.00 0.00 C ATOM 1226 O HIS 2 25 10.031 9.427 -3.095 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.544 8.280 -0.891 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.799 8.063 -1.702 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 12.882 8.364 -3.051 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.019 7.572 -1.342 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.101 8.064 -3.472 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.805 7.572 -2.411 1.00 0.00 N ATOM 0 H HIS 2 25 9.654 9.676 0.662 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.868 10.345 -1.209 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.740 8.001 0.144 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.765 7.612 -1.259 1.00 0.00 H new ATOM 0 HD1 HIS 2 25 12.132 8.751 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.298 7.239 -0.353 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 14.473 8.187 -4.478 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.900 10.663 -1.575 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.787 10.943 -2.466 1.00 0.00 C ATOM 1243 C VAL 2 26 8.317 11.161 -3.884 1.00 0.00 C ATOM 1244 O VAL 2 26 9.204 11.984 -4.099 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.982 12.133 -1.939 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.907 13.254 -1.464 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.001 12.641 -2.997 1.00 0.00 C ATOM 0 H VAL 2 26 8.816 11.075 -0.646 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.103 10.095 -2.502 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.403 11.793 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.309 14.087 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.547 12.883 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.526 13.592 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.441 13.487 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.552 12.956 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.310 11.842 -3.265 1.00 0.00 H new ATOM 1257 N THR 2 27 7.749 10.408 -4.816 1.00 0.00 N ATOM 1258 CA THR 2 27 8.154 10.509 -6.207 1.00 0.00 C ATOM 1259 C THR 2 27 7.158 9.773 -7.107 1.00 0.00 C ATOM 1260 O THR 2 27 6.496 8.833 -6.668 1.00 0.00 O ATOM 1261 CB THR 2 27 9.584 9.978 -6.325 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.352 11.126 -6.678 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.762 9.031 -7.512 1.00 0.00 C ATOM 0 H THR 2 27 7.012 9.726 -4.634 1.00 0.00 H new ATOM 0 HA THR 2 27 8.148 11.545 -6.545 1.00 0.00 H new ATOM 0 HB THR 2 27 9.856 9.460 -5.405 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.233 11.821 -5.998 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.795 8.684 -7.549 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.096 8.176 -7.398 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.523 9.557 -8.436 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.079 10.242 -8.381 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.175 9.639 -9.345 1.00 0.00 C ATOM 1273 C PRO 2 28 6.714 8.294 -9.836 1.00 0.00 C ATOM 1274 O PRO 2 28 6.738 8.032 -11.038 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.043 10.667 -10.457 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.230 11.602 -10.303 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.846 11.353 -8.935 1.00 0.00 C ATOM 0 HA PRO 2 28 5.200 9.406 -8.918 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.049 10.187 -11.435 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.103 11.213 -10.375 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.962 11.422 -11.090 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.912 12.641 -10.395 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.904 11.103 -9.016 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.776 12.238 -8.302 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.133 7.476 -8.881 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.670 6.164 -9.201 1.00 0.00 C ATOM 1287 C LYS 2 29 8.035 5.437 -7.905 1.00 0.00 C ATOM 1288 O LYS 2 29 8.198 4.218 -7.898 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.835 6.288 -10.186 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.945 5.041 -11.064 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.310 5.413 -12.503 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.161 4.210 -13.435 1.00 0.00 C ATOM 1293 NZ LYS 2 29 7.918 4.321 -14.231 1.00 0.00 N ATOM 0 H LYS 2 29 7.111 7.697 -7.885 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.918 5.557 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.693 7.168 -10.814 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.766 6.434 -9.638 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.701 4.370 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.999 4.500 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.669 6.225 -12.846 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.336 5.780 -12.538 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.022 4.150 -14.101 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.145 3.290 -12.851 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.833 3.496 -14.858 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.098 4.356 -13.592 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 7.948 5.189 -14.803 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.152 6.217 -6.840 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.494 5.662 -5.541 1.00 0.00 C ATOM 1309 C GLU 2 30 7.233 5.475 -4.695 1.00 0.00 C ATOM 1310 O GLU 2 30 7.054 4.435 -4.064 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.513 6.546 -4.819 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.917 5.942 -4.898 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.392 5.845 -6.349 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.981 6.840 -6.821 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.153 4.776 -6.954 1.00 0.00 O ATOM 0 H GLU 2 30 8.016 7.228 -6.850 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.953 4.685 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.516 7.541 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.222 6.664 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.613 6.554 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.916 4.951 -4.445 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.392 6.499 -4.708 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.154 6.461 -3.950 1.00 0.00 C ATOM 1324 C CYS 2 31 4.371 5.216 -4.373 1.00 0.00 C ATOM 1325 O CYS 2 31 4.002 4.396 -3.533 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.336 7.740 -4.137 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.988 9.204 -3.253 1.00 0.00 S ATOM 0 H CYS 2 31 6.544 7.361 -5.232 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.378 6.405 -2.885 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.284 7.969 -5.201 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.316 7.555 -3.801 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.139 5.116 -5.673 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.406 3.985 -6.218 1.00 0.00 C ATOM 1334 C ASN 2 32 4.169 2.694 -5.914 1.00 0.00 C ATOM 1335 O ASN 2 32 3.632 1.599 -6.071 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.259 4.103 -7.736 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.971 4.839 -8.107 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.170 4.378 -8.905 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.816 6.004 -7.486 1.00 0.00 N ATOM 0 H ASN 2 32 4.445 5.799 -6.366 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.417 3.973 -5.761 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.117 4.634 -8.148 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.255 3.109 -8.183 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.988 6.571 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.525 6.330 -6.830 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.411 2.865 -5.485 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.254 1.728 -5.160 1.00 0.00 C ATOM 1348 C ASN 2 33 6.125 1.414 -3.668 1.00 0.00 C ATOM 1349 O ASN 2 33 6.232 0.258 -3.262 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.725 2.030 -5.453 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.503 0.744 -5.736 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.948 -0.339 -5.838 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.816 0.920 -5.855 1.00 0.00 N ATOM 0 H ASN 2 33 5.854 3.775 -5.355 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.931 0.884 -5.770 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.799 2.700 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.170 2.549 -4.604 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.423 0.122 -6.043 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.216 1.853 -5.758 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.894 2.463 -2.892 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.748 2.314 -1.455 1.00 0.00 C ATOM 1362 C ARG 2 34 4.308 1.937 -1.103 1.00 0.00 C ATOM 1363 O ARG 2 34 4.059 1.315 -0.072 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.121 3.606 -0.726 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.283 4.314 -1.426 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.388 4.672 -0.430 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.715 4.447 -1.043 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.867 4.903 -0.531 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.861 5.611 0.606 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.025 4.651 -1.157 1.00 0.00 N ATOM 0 H ARG 2 34 5.804 3.420 -3.232 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.424 1.521 -1.135 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.257 4.269 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.396 3.380 0.304 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.688 3.671 -2.207 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.921 5.219 -1.914 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.291 5.714 -0.126 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.287 4.066 0.471 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.756 3.911 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.980 5.803 1.082 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.738 5.958 0.995 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.030 4.112 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.901 4.998 -0.767 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.396 2.328 -1.982 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.988 2.037 -1.777 1.00 0.00 C ATOM 1386 C GLY 2 35 1.170 3.328 -1.682 1.00 0.00 C ATOM 1387 O GLY 2 35 0.099 3.345 -1.079 1.00 0.00 O ATOM 0 H GLY 2 35 3.605 2.843 -2.837 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.616 1.426 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.862 1.454 -0.864 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.709 4.377 -2.285 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.044 5.669 -2.275 1.00 0.00 C ATOM 1393 C CYS 2 36 0.794 6.091 -3.725 1.00 0.00 C ATOM 1394 O CYS 2 36 1.310 5.471 -4.653 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.852 6.716 -1.507 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.153 6.313 0.253 1.00 0.00 S ATOM 0 H CYS 2 36 2.599 4.359 -2.784 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.091 5.587 -1.752 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.813 6.850 -2.004 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.329 7.671 -1.562 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.004 7.145 -3.873 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.320 7.658 -5.194 1.00 0.00 C ATOM 1403 C CYS 2 37 0.314 9.043 -5.338 1.00 0.00 C ATOM 1404 O CYS 2 37 0.198 9.880 -4.444 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.830 7.693 -5.432 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.331 7.646 -7.191 1.00 0.00 S ATOM 0 H CYS 2 37 -0.421 7.658 -3.100 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.085 6.993 -5.956 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.285 6.847 -4.917 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.234 8.598 -4.978 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.628 7.678 -7.274 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.969 9.243 -6.473 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.621 10.512 -6.747 1.00 0.00 C ATOM 1413 C PHE 2 38 0.728 11.413 -7.602 1.00 0.00 C ATOM 1414 O PHE 2 38 0.400 11.071 -8.737 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.901 10.199 -7.523 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.879 11.373 -7.613 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.813 11.556 -6.641 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.813 12.235 -8.662 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.719 12.646 -6.723 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.719 13.324 -8.745 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.654 13.507 -7.773 1.00 0.00 C ATOM 0 H PHE 2 38 1.062 8.547 -7.213 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.829 11.033 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.404 9.356 -7.049 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.634 9.884 -8.532 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.865 10.872 -5.807 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.070 12.091 -9.433 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.460 12.791 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.667 14.008 -9.579 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.344 14.336 -7.836 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.359 12.547 -7.023 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.489 13.500 -7.718 1.00 0.00 C ATOM 1433 C ASP 2 39 0.343 14.257 -8.755 1.00 0.00 C ATOM 1434 O ASP 2 39 0.350 13.899 -9.932 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.079 14.524 -6.746 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.277 15.926 -7.325 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.190 16.067 -8.167 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.512 16.824 -6.913 1.00 0.00 O ATOM 0 H ASP 2 39 0.632 12.827 -6.081 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.298 12.946 -8.193 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.041 14.154 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.426 14.595 -5.876 1.00 0.00 H new ATOM 1443 N SER 2 40 1.024 15.290 -8.280 1.00 0.00 N ATOM 1444 CA SER 2 40 1.858 16.100 -9.151 1.00 0.00 C ATOM 1445 C SER 2 40 1.020 17.203 -9.800 1.00 0.00 C ATOM 1446 O SER 2 40 1.553 18.236 -10.203 1.00 0.00 O ATOM 1447 CB SER 2 40 2.529 15.242 -10.227 1.00 0.00 C ATOM 1448 OG SER 2 40 3.787 15.777 -10.628 1.00 0.00 O ATOM 0 H SER 2 40 1.015 15.584 -7.303 1.00 0.00 H new ATOM 0 HA SER 2 40 2.642 16.555 -8.546 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.670 14.230 -9.848 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.873 15.169 -11.094 1.00 0.00 H new ATOM 0 HG SER 2 40 4.184 15.201 -11.314 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.277 16.947 -9.881 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.194 17.906 -10.473 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.249 19.180 -9.628 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.215 20.286 -10.164 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.602 17.320 -10.592 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.552 15.852 -11.018 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.565 15.566 -12.128 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.948 15.809 -13.451 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.637 15.885 -14.598 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.968 15.738 -14.591 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.993 16.108 -15.753 1.00 0.00 N ATOM 0 H ARG 2 41 -0.715 16.089 -9.546 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.826 18.144 -11.471 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.118 17.407 -9.636 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.178 17.893 -11.318 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.549 15.605 -11.365 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.759 15.214 -10.159 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.908 14.533 -12.062 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.442 16.202 -12.004 1.00 0.00 H new ATOM 0 HE ARG 2 41 -1.936 15.926 -13.492 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.458 15.568 -13.713 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.492 15.796 -15.464 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -1.979 16.220 -15.758 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.517 16.166 -16.626 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.334 18.982 -8.321 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.394 20.101 -7.396 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.213 20.021 -6.428 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.194 19.176 -5.534 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.756 20.150 -6.701 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.873 19.716 -7.653 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.018 21.534 -6.104 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.225 20.268 -7.199 1.00 0.00 C ATOM 0 H ILE 2 42 -1.363 18.063 -7.880 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.303 21.045 -7.934 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.743 19.440 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.653 20.067 -8.661 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.916 18.628 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.993 21.541 -5.616 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.244 21.767 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.004 22.281 -6.898 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.001 19.945 -7.893 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.453 19.896 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.186 21.357 -7.180 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.770 20.935 -6.644 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.953 20.977 -5.801 1.00 0.00 C ATOM 1499 C PRO 2 43 1.634 21.592 -4.437 1.00 0.00 C ATOM 1500 O PRO 2 43 2.503 21.678 -3.571 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.972 21.781 -6.591 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.178 22.552 -7.633 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.783 21.951 -7.693 1.00 0.00 C ATOM 0 HA PRO 2 43 2.340 19.984 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.524 22.459 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.704 21.126 -7.064 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 2.128 23.609 -7.370 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.663 22.489 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 0.018 22.708 -7.520 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.583 21.513 -8.671 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.383 22.004 -4.288 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.062 22.610 -3.045 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.646 21.556 -2.100 1.00 0.00 C ATOM 1514 O GLY 2 44 -0.977 21.858 -0.956 1.00 0.00 O ATOM 0 H GLY 2 44 -0.336 21.930 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.775 23.114 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.813 23.371 -3.256 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.755 20.340 -2.617 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.292 19.240 -1.835 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.255 18.118 -1.760 1.00 0.00 C ATOM 1521 O VAL 2 45 0.858 18.262 -2.261 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.627 18.782 -2.425 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.389 19.959 -3.038 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.419 17.669 -3.454 1.00 0.00 C ATOM 0 H VAL 2 45 -0.480 20.093 -3.568 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.496 19.562 -0.814 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.231 18.379 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.334 19.606 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.585 20.706 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.791 20.405 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.384 17.362 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.787 18.035 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -1.938 16.816 -2.975 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.668 16.995 -1.113 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.212 15.849 -0.966 1.00 0.00 C ATOM 1536 C PRO 2 46 0.340 15.084 -2.284 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.649 14.573 -2.808 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.406 15.018 0.147 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.849 15.483 0.262 1.00 0.00 C ATOM 1540 CD PRO 2 46 -1.981 16.789 -0.506 1.00 0.00 C ATOM 0 HA PRO 2 46 1.233 16.132 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.356 13.954 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.128 15.164 1.086 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.526 14.731 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.122 15.626 1.308 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.762 16.726 -1.263 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.245 17.613 0.156 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.567 15.027 -2.782 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.837 14.332 -4.029 1.00 0.00 C ATOM 1550 C TRP 2 47 2.206 12.887 -3.694 1.00 0.00 C ATOM 1551 O TRP 2 47 2.974 12.254 -4.418 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.918 15.053 -4.836 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.240 16.461 -4.327 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.532 17.584 -4.506 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.387 16.850 -3.544 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.137 18.666 -3.898 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.301 18.205 -3.294 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.462 16.083 -3.061 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.258 18.911 -2.555 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.411 16.803 -2.325 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.338 18.168 -2.065 1.00 0.00 C ATOM 0 H TRP 2 47 2.385 15.451 -2.344 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.953 14.327 -4.667 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.829 14.455 -4.820 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.598 15.118 -5.876 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.604 17.636 -5.057 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.793 19.626 -3.893 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.549 15.022 -3.243 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.168 19.972 -2.373 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.259 16.261 -1.932 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 7.112 18.652 -1.487 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.641 12.403 -2.596 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.902 11.044 -2.157 1.00 0.00 C ATOM 1574 C CYS 2 48 0.874 10.680 -1.083 1.00 0.00 C ATOM 1575 O CYS 2 48 0.955 11.161 0.046 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.336 10.876 -1.653 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.916 9.144 -1.545 1.00 0.00 S ATOM 0 H CYS 2 48 1.004 12.929 -1.998 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.802 10.362 -3.002 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.005 11.427 -2.314 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.415 11.333 -0.666 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.070 9.837 -1.474 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.112 9.404 -0.559 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.514 7.953 -0.832 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.846 7.253 -1.591 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.322 10.309 -0.800 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.409 10.868 -2.221 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.488 11.769 -2.655 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.407 10.462 -3.051 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.568 12.287 -3.975 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.488 10.980 -4.371 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.566 11.881 -4.805 1.00 0.00 C ATOM 0 H PHE 2 49 -0.135 9.442 -2.412 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.754 9.466 0.469 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.231 9.747 -0.586 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.287 11.140 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.695 12.091 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.138 9.746 -2.706 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.837 13.003 -4.320 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.281 10.659 -5.030 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.626 12.274 -5.809 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.601 7.544 -0.195 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.100 6.189 -0.359 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.558 6.238 -0.821 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.464 5.891 -0.065 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.887 5.381 0.922 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.522 6.296 2.093 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.009 6.504 2.177 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.270 5.165 2.151 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.003 4.152 2.944 1.00 0.00 N ATOM 0 H LYS 2 50 -3.151 8.127 0.436 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.538 5.668 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.793 4.824 1.160 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.094 4.649 0.767 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.019 7.259 1.975 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.885 5.862 3.025 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.677 7.123 1.344 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.762 7.042 3.092 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.163 4.822 1.122 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.736 5.290 2.551 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.353 3.387 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.393 4.596 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.779 3.760 2.374 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.744 6.684 -2.091 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.077 6.784 -2.662 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.620 5.402 -3.030 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.197 4.713 -2.191 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.923 7.701 -3.864 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.439 7.708 -4.196 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.695 7.105 -3.016 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.806 7.189 -1.960 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.510 7.340 -4.708 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.277 8.706 -3.636 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.248 7.133 -5.102 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.095 8.725 -4.385 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.079 6.261 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.029 7.834 -2.554 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.416 5.036 -4.288 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.878 3.749 -4.777 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.708 2.762 -4.786 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.597 1.935 -5.690 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.560 3.906 -6.138 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.643 3.829 -7.361 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.837 2.508 -8.108 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.845 5.039 -8.274 1.00 0.00 C ATOM 0 H LEU 2 52 -5.937 5.609 -4.983 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.637 3.339 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.323 3.133 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.076 4.866 -6.155 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.609 3.855 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.174 2.478 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.604 1.676 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.872 2.427 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.182 4.960 -9.135 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.880 5.069 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.618 5.952 -7.724 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.867 2.882 -3.770 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.710 2.011 -3.650 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.136 0.545 -3.762 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.312 -0.324 -4.041 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.965 2.267 -2.338 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.447 3.705 -2.274 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.480 3.992 -3.425 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.510 5.039 -4.049 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.624 3.004 -3.670 1.00 0.00 N ATOM 0 H GLN 2 53 -4.963 3.569 -3.022 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.025 2.234 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.630 2.078 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.131 1.572 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.286 4.400 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.944 3.872 -1.322 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.653 2.153 -3.109 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.062 3.097 -4.419 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.421 0.317 -3.536 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.966 -1.028 -3.609 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.396 -1.767 -4.820 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.361 -2.997 -4.842 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.495 -0.999 -3.654 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.993 -0.177 -4.844 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.425 -0.565 -5.217 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.281 -0.518 -4.308 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.631 -0.898 -6.404 1.00 0.00 O ATOM 0 H GLU 2 54 -6.101 1.041 -3.302 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.672 -1.567 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.880 -2.016 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.882 -0.575 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.952 0.885 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.336 -0.333 -5.699 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.963 -0.988 -5.800 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.397 -1.553 -7.013 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.640 -2.837 -6.666 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.062 -3.930 -7.040 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.501 -0.514 -7.691 1.00 0.00 C ATOM 0 H ALA 2 55 -4.993 0.031 -5.779 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.185 -1.814 -7.719 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.076 -0.938 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.091 0.367 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.696 -0.230 -7.013 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.535 -2.662 -5.956 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.716 -3.793 -5.556 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.231 -3.613 -4.116 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.242 -4.221 -3.710 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.536 -3.982 -6.512 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.761 -5.185 -7.430 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.374 -5.319 -8.445 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.241 -4.713 -9.530 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.351 -6.027 -8.114 1.00 0.00 O ATOM 0 H GLU 2 56 -2.188 -1.754 -5.648 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.327 -4.694 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.402 -3.082 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.381 -4.123 -5.940 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.829 -6.095 -6.833 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.711 -5.075 -7.953 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.951 -2.776 -3.383 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.606 -2.508 -1.997 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.512 -3.359 -1.104 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.027 -4.117 -0.266 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.713 -1.018 -1.665 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.335 -0.355 -0.661 1.00 0.00 S ATOM 0 H CYS 2 57 -2.772 -2.275 -3.723 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.565 -2.778 -1.820 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.768 -0.456 -2.597 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.648 -0.845 -1.132 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.811 -3.205 -1.315 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.788 -3.949 -0.541 1.00 0.00 C ATOM 1726 C THR 2 58 -4.594 -5.454 -0.740 1.00 0.00 C ATOM 1727 O THR 2 58 -4.756 -6.235 0.196 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.181 -3.459 -0.939 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.036 -3.973 0.078 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.690 -4.118 -2.223 1.00 0.00 C ATOM 0 H THR 2 58 -4.209 -2.575 -2.012 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.660 -3.775 0.527 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.160 -2.377 -1.070 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.960 -3.700 -0.103 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.682 -3.735 -2.460 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.008 -3.892 -3.043 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.742 -5.198 -2.082 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.250 -5.815 -1.968 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.032 -7.212 -2.303 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.863 -7.792 -1.505 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.401 -8.897 -1.786 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.693 -7.266 -3.794 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.917 -7.348 -4.709 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.658 -6.235 -4.954 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -5.264 -8.534 -5.276 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.794 -6.311 -5.803 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -6.400 -8.611 -6.124 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -7.142 -7.498 -6.370 1.00 0.00 C ATOM 0 H PHE 2 59 -4.117 -5.165 -2.742 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.922 -7.795 -2.066 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.115 -6.380 -4.057 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -3.055 -8.130 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.383 -5.293 -4.503 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -4.675 -9.418 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.382 -5.426 -5.999 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -6.675 -9.554 -6.574 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -8.007 -7.556 -7.015 1.00 0.00 H new