USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=12 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 54:sc= -2.3! USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 59:sc= 0.0863 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.1 K(o=-2.1,f=-0.24) USER MOD Single : 1 33 ASN : amide:sc= -0.0909 K(o=-0.091,f=-2!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.234 USER MOD Single : 1 40 SER OG : rot -177:sc= -0.301 USER MOD Single : 1 50 LYS NZ :NH3+ -156:sc= -1.09 (180deg=-1.93!) USER MOD Single : 1 53 GLN : amide:sc= -10.5! C(o=-11!,f=-16!) USER MOD Single : 1 58 THR OG1 : rot -35:sc= -1.55 USER MOD Single : 2 23 TYR OH : rot -149:sc= -1.43 USER MOD Single : 2 25 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.00048) USER MOD Single : 2 27 THR OG1 : rot 60:sc= 0.123 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -0.974 K(o=-0.97,f=-0.032) USER MOD Single : 2 33 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.6!) USER MOD Single : 2 37 CYS SG : rot 180:sc= 0 USER MOD Single : 2 40 SER OG : rot 86:sc= 0.0131 USER MOD Single : 2 50 LYS NZ :NH3+ -150:sc= -1.77 (180deg=-3.39!) USER MOD Single : 2 53 GLN : amide:sc= -16.6! C(o=-17!,f=-24!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.148 -16.219 -2.588 1.00 0.00 N ATOM 229 CA ASP 1 17 1.104 -15.484 -3.283 1.00 0.00 C ATOM 230 C ASP 1 17 1.356 -13.983 -3.131 1.00 0.00 C ATOM 231 O ASP 1 17 0.933 -13.191 -3.972 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.274 -15.793 -2.692 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.458 -15.418 -3.584 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.396 -15.762 -4.785 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.400 -14.797 -3.045 1.00 0.00 O ATOM 0 HA ASP 1 17 1.123 -15.782 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.328 -16.859 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.372 -15.266 -1.743 1.00 0.00 H new ATOM 240 N ARG 1 18 2.045 -13.636 -2.054 1.00 0.00 N ATOM 241 CA ARG 1 18 2.360 -12.244 -1.782 1.00 0.00 C ATOM 242 C ARG 1 18 2.902 -11.567 -3.043 1.00 0.00 C ATOM 243 O ARG 1 18 3.099 -12.219 -4.067 1.00 0.00 O ATOM 244 CB ARG 1 18 3.392 -12.122 -0.661 1.00 0.00 C ATOM 245 CG ARG 1 18 2.944 -12.890 0.585 1.00 0.00 C ATOM 246 CD ARG 1 18 4.112 -13.656 1.207 1.00 0.00 C ATOM 247 NE ARG 1 18 3.699 -14.244 2.501 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.543 -14.510 3.508 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.849 -14.242 3.377 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.080 -15.043 4.647 1.00 0.00 N ATOM 0 H ARG 1 18 2.394 -14.296 -1.359 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.440 -11.751 -1.468 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.353 -12.506 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.540 -11.071 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.530 -12.195 1.316 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.148 -13.586 0.321 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.444 -14.443 0.530 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.959 -12.986 1.356 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.711 -14.460 2.635 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.202 -13.835 2.511 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.491 -14.445 4.144 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.086 -15.246 4.748 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.722 -15.245 5.413 1.00 0.00 H new ATOM 264 N VAL 1 19 3.130 -10.267 -2.925 1.00 0.00 N ATOM 265 CA VAL 1 19 3.646 -9.493 -4.042 1.00 0.00 C ATOM 266 C VAL 1 19 5.110 -9.137 -3.777 1.00 0.00 C ATOM 267 O VAL 1 19 5.653 -8.225 -4.397 1.00 0.00 O ATOM 268 CB VAL 1 19 2.766 -8.265 -4.279 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.038 -7.654 -5.655 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.285 -8.612 -4.117 1.00 0.00 C ATOM 0 H VAL 1 19 2.967 -9.730 -2.073 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.615 -10.080 -4.960 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.020 -7.520 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.400 -6.782 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.084 -7.352 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 2.825 -8.391 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.681 -7.721 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.011 -9.382 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.106 -8.980 -3.107 1.00 0.00 H new ATOM 280 N ASP 1 20 5.707 -9.877 -2.853 1.00 0.00 N ATOM 281 CA ASP 1 20 7.098 -9.650 -2.497 1.00 0.00 C ATOM 282 C ASP 1 20 7.414 -8.157 -2.616 1.00 0.00 C ATOM 283 O ASP 1 20 7.863 -7.696 -3.664 1.00 0.00 O ATOM 284 CB ASP 1 20 8.038 -10.408 -3.437 1.00 0.00 C ATOM 285 CG ASP 1 20 9.430 -9.793 -3.593 1.00 0.00 C ATOM 286 OD1 ASP 1 20 9.925 -9.245 -2.586 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.968 -9.885 -4.719 1.00 0.00 O ATOM 0 H ASP 1 20 5.253 -10.633 -2.341 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.246 -10.003 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.147 -11.429 -3.072 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.572 -10.470 -4.420 1.00 0.00 H new ATOM 292 N CYS 1 21 7.167 -7.445 -1.526 1.00 0.00 N ATOM 293 CA CYS 1 21 7.420 -6.014 -1.495 1.00 0.00 C ATOM 294 C CYS 1 21 8.843 -5.767 -1.998 1.00 0.00 C ATOM 295 O CYS 1 21 9.101 -4.776 -2.680 1.00 0.00 O ATOM 296 CB CYS 1 21 7.199 -5.432 -0.098 1.00 0.00 C ATOM 297 SG CYS 1 21 6.432 -3.770 -0.073 1.00 0.00 S ATOM 0 H CYS 1 21 6.795 -7.832 -0.659 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.712 -5.502 -2.147 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.569 -6.116 0.470 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.159 -5.382 0.416 1.00 0.00 H new ATOM 302 N GLY 1 22 9.731 -6.684 -1.642 1.00 0.00 N ATOM 303 CA GLY 1 22 11.122 -6.577 -2.049 1.00 0.00 C ATOM 304 C GLY 1 22 11.691 -5.201 -1.699 1.00 0.00 C ATOM 305 O GLY 1 22 12.107 -4.454 -2.583 1.00 0.00 O ATOM 0 H GLY 1 22 9.514 -7.504 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.709 -7.353 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.205 -6.746 -3.123 1.00 0.00 H new ATOM 309 N TYR 1 23 11.692 -4.908 -0.406 1.00 0.00 N ATOM 310 CA TYR 1 23 12.204 -3.635 0.072 1.00 0.00 C ATOM 311 C TYR 1 23 13.687 -3.741 0.432 1.00 0.00 C ATOM 312 O TYR 1 23 14.129 -4.756 0.969 1.00 0.00 O ATOM 313 CB TYR 1 23 11.407 -3.308 1.335 1.00 0.00 C ATOM 314 CG TYR 1 23 10.476 -2.102 1.188 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.971 -0.824 1.356 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.142 -2.291 0.889 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.095 0.310 1.218 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.267 -1.157 0.752 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.787 0.089 0.923 1.00 0.00 C ATOM 320 OH TYR 1 23 7.959 1.160 0.793 1.00 0.00 O ATOM 0 H TYR 1 23 11.346 -5.530 0.325 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.104 -2.868 -0.696 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.815 -4.179 1.614 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.103 -3.120 2.153 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.015 -0.675 1.591 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.755 -3.291 0.758 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.469 1.315 1.346 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.221 -1.292 0.519 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.334 1.786 0.139 1.00 0.00 H new ATOM 330 N PRO 1 24 14.435 -2.651 0.114 1.00 0.00 N ATOM 331 CA PRO 1 24 15.860 -2.611 0.400 1.00 0.00 C ATOM 332 C PRO 1 24 16.115 -2.395 1.892 1.00 0.00 C ATOM 333 O PRO 1 24 17.249 -2.504 2.354 1.00 0.00 O ATOM 334 CB PRO 1 24 16.403 -1.485 -0.465 1.00 0.00 C ATOM 335 CG PRO 1 24 15.202 -0.636 -0.848 1.00 0.00 C ATOM 336 CD PRO 1 24 13.947 -1.431 -0.521 1.00 0.00 C ATOM 0 HA PRO 1 24 16.362 -3.551 0.169 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.140 -0.895 0.080 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.901 -1.879 -1.351 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.210 0.307 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.232 -0.389 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.288 -0.874 0.145 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.375 -1.655 -1.421 1.00 0.00 H new ATOM 344 N HIS 1 25 15.040 -2.091 2.606 1.00 0.00 N ATOM 345 CA HIS 1 25 15.133 -1.857 4.037 1.00 0.00 C ATOM 346 C HIS 1 25 14.225 -2.842 4.777 1.00 0.00 C ATOM 347 O HIS 1 25 13.920 -2.647 5.953 1.00 0.00 O ATOM 348 CB HIS 1 25 14.821 -0.398 4.371 1.00 0.00 C ATOM 349 CG HIS 1 25 15.911 0.301 5.148 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.164 0.042 6.484 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.812 1.250 4.763 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.172 0.808 6.875 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.572 1.556 5.807 1.00 0.00 N ATOM 0 H HIS 1 25 14.100 -2.001 2.220 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.155 -2.034 4.373 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.644 0.146 3.443 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.896 -0.357 4.946 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.893 1.680 3.775 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.601 0.835 7.866 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.330 2.238 5.810 1.00 0.00 H new ATOM 362 N VAL 1 26 13.819 -3.878 4.058 1.00 0.00 N ATOM 363 CA VAL 1 26 12.953 -4.894 4.633 1.00 0.00 C ATOM 364 C VAL 1 26 13.383 -5.169 6.074 1.00 0.00 C ATOM 365 O VAL 1 26 14.553 -5.447 6.335 1.00 0.00 O ATOM 366 CB VAL 1 26 12.963 -6.148 3.755 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.392 -6.539 3.376 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.242 -7.307 4.446 1.00 0.00 C ATOM 0 H VAL 1 26 14.073 -4.036 3.083 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.921 -4.544 4.664 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.423 -5.919 2.836 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.371 -7.433 2.752 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.859 -5.723 2.825 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.966 -6.741 4.280 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.264 -8.185 3.801 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.741 -7.536 5.388 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.207 -7.026 4.642 1.00 0.00 H new ATOM 378 N THR 1 27 12.414 -5.083 6.974 1.00 0.00 N ATOM 379 CA THR 1 27 12.677 -5.320 8.383 1.00 0.00 C ATOM 380 C THR 1 27 11.364 -5.463 9.155 1.00 0.00 C ATOM 381 O THR 1 27 10.341 -4.911 8.754 1.00 0.00 O ATOM 382 CB THR 1 27 13.563 -4.182 8.896 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.778 -4.829 9.268 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.046 -3.582 10.204 1.00 0.00 C ATOM 0 H THR 1 27 11.445 -4.852 6.754 1.00 0.00 H new ATOM 0 HA THR 1 27 13.209 -6.259 8.533 1.00 0.00 H new ATOM 0 HB THR 1 27 13.626 -3.401 8.138 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.158 -5.284 8.488 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.711 -2.779 10.524 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.043 -3.183 10.050 1.00 0.00 H new ATOM 0 HG23 THR 1 27 13.015 -4.355 10.972 1.00 0.00 H new ATOM 392 N PRO 1 28 11.437 -6.225 10.278 1.00 0.00 N ATOM 393 CA PRO 1 28 10.267 -6.448 11.110 1.00 0.00 C ATOM 394 C PRO 1 28 9.937 -5.203 11.936 1.00 0.00 C ATOM 395 O PRO 1 28 9.829 -5.276 13.159 1.00 0.00 O ATOM 396 CB PRO 1 28 10.616 -7.653 11.967 1.00 0.00 C ATOM 397 CG PRO 1 28 12.131 -7.776 11.916 1.00 0.00 C ATOM 398 CD PRO 1 28 12.632 -6.895 10.784 1.00 0.00 C ATOM 0 HA PRO 1 28 9.367 -6.639 10.526 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.269 -7.517 12.991 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.138 -8.555 11.586 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.571 -7.467 12.864 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.425 -8.813 11.751 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.369 -6.175 11.139 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.114 -7.487 10.006 1.00 0.00 H new ATOM 406 N LYS 1 29 9.785 -4.089 11.234 1.00 0.00 N ATOM 407 CA LYS 1 29 9.470 -2.830 11.887 1.00 0.00 C ATOM 408 C LYS 1 29 9.443 -1.712 10.843 1.00 0.00 C ATOM 409 O LYS 1 29 8.859 -0.654 11.076 1.00 0.00 O ATOM 410 CB LYS 1 29 10.437 -2.569 13.043 1.00 0.00 C ATOM 411 CG LYS 1 29 9.720 -1.903 14.219 1.00 0.00 C ATOM 412 CD LYS 1 29 9.805 -2.771 15.476 1.00 0.00 C ATOM 413 CE LYS 1 29 8.452 -2.840 16.186 1.00 0.00 C ATOM 414 NZ LYS 1 29 8.574 -2.358 17.581 1.00 0.00 N ATOM 0 H LYS 1 29 9.874 -4.033 10.219 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.478 -2.872 12.336 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.882 -3.509 13.369 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.253 -1.932 12.702 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.165 -0.928 14.416 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.675 -1.731 13.962 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 10.130 -3.776 15.207 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.555 -2.364 16.154 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.721 -2.236 15.649 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.083 -3.866 16.180 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.647 -2.411 18.049 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.256 -2.952 18.095 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.905 -1.372 17.580 1.00 0.00 H new ATOM 428 N GLU 1 30 10.084 -1.984 9.716 1.00 0.00 N ATOM 429 CA GLU 1 30 10.141 -1.013 8.635 1.00 0.00 C ATOM 430 C GLU 1 30 9.098 -1.347 7.566 1.00 0.00 C ATOM 431 O GLU 1 30 8.398 -0.461 7.079 1.00 0.00 O ATOM 432 CB GLU 1 30 11.545 -0.947 8.030 1.00 0.00 C ATOM 433 CG GLU 1 30 12.298 0.288 8.527 1.00 0.00 C ATOM 434 CD GLU 1 30 13.132 -0.041 9.767 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.035 -0.896 9.634 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.849 0.571 10.820 1.00 0.00 O ATOM 0 H GLU 1 30 10.568 -2.862 9.527 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.911 -0.029 9.044 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.101 -1.847 8.293 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.476 -0.922 6.943 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.948 0.665 7.737 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.588 1.081 8.762 1.00 0.00 H new ATOM 443 N CYS 1 31 9.029 -2.628 7.232 1.00 0.00 N ATOM 444 CA CYS 1 31 8.083 -3.089 6.230 1.00 0.00 C ATOM 445 C CYS 1 31 6.679 -2.666 6.664 1.00 0.00 C ATOM 446 O CYS 1 31 5.943 -2.059 5.887 1.00 0.00 O ATOM 447 CB CYS 1 31 8.183 -4.601 6.013 1.00 0.00 C ATOM 448 SG CYS 1 31 9.639 -5.144 5.049 1.00 0.00 S ATOM 0 H CYS 1 31 9.612 -3.360 7.637 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.316 -2.633 5.268 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.205 -5.093 6.986 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.281 -4.941 5.504 1.00 0.00 H new ATOM 453 N ASN 1 32 6.349 -3.002 7.902 1.00 0.00 N ATOM 454 CA ASN 1 32 5.046 -2.664 8.448 1.00 0.00 C ATOM 455 C ASN 1 32 4.952 -1.148 8.631 1.00 0.00 C ATOM 456 O ASN 1 32 3.914 -0.632 9.045 1.00 0.00 O ATOM 457 CB ASN 1 32 4.834 -3.320 9.814 1.00 0.00 C ATOM 458 CG ASN 1 32 3.997 -4.595 9.686 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.930 -4.727 10.262 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.540 -5.522 8.902 1.00 0.00 N ATOM 0 H ASN 1 32 6.962 -3.505 8.543 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.286 -3.023 7.754 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.799 -3.558 10.261 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.336 -2.620 10.484 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 4.059 -6.409 8.753 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.437 -5.346 8.450 1.00 0.00 H new ATOM 467 N ASN 1 33 6.050 -0.476 8.315 1.00 0.00 N ATOM 468 CA ASN 1 33 6.105 0.970 8.439 1.00 0.00 C ATOM 469 C ASN 1 33 6.032 1.601 7.047 1.00 0.00 C ATOM 470 O ASN 1 33 5.547 2.721 6.893 1.00 0.00 O ATOM 471 CB ASN 1 33 7.413 1.417 9.094 1.00 0.00 C ATOM 472 CG ASN 1 33 7.254 2.787 9.757 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.165 3.323 9.882 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.398 3.323 10.173 1.00 0.00 N ATOM 0 H ASN 1 33 6.909 -0.907 7.973 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.265 1.287 9.057 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.721 0.682 9.838 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.203 1.461 8.344 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.398 4.236 10.628 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.275 2.821 10.037 1.00 0.00 H new ATOM 481 N ARG 1 34 6.521 0.855 6.068 1.00 0.00 N ATOM 482 CA ARG 1 34 6.519 1.326 4.694 1.00 0.00 C ATOM 483 C ARG 1 34 5.167 1.040 4.037 1.00 0.00 C ATOM 484 O ARG 1 34 4.783 1.711 3.081 1.00 0.00 O ATOM 485 CB ARG 1 34 7.627 0.656 3.879 1.00 0.00 C ATOM 486 CG ARG 1 34 8.895 0.485 4.717 1.00 0.00 C ATOM 487 CD ARG 1 34 10.128 0.969 3.950 1.00 0.00 C ATOM 488 NE ARG 1 34 11.069 1.637 4.877 1.00 0.00 N ATOM 489 CZ ARG 1 34 10.802 2.776 5.529 1.00 0.00 C ATOM 490 NH1 ARG 1 34 9.618 3.382 5.359 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.716 3.309 6.350 1.00 0.00 N ATOM 0 H ARG 1 34 6.922 -0.074 6.199 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.698 2.401 4.712 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.286 -0.317 3.526 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.848 1.256 2.996 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.798 1.044 5.648 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.018 -0.564 4.987 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.619 0.126 3.465 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.829 1.660 3.162 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.979 1.202 5.029 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 8.922 2.975 4.734 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 9.413 4.249 5.855 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.616 2.847 6.479 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 11.512 4.177 6.846 1.00 0.00 H new ATOM 505 N GLY 1 35 4.483 0.041 4.576 1.00 0.00 N ATOM 506 CA GLY 1 35 3.183 -0.344 4.054 1.00 0.00 C ATOM 507 C GLY 1 35 3.193 -1.796 3.571 1.00 0.00 C ATOM 508 O GLY 1 35 2.405 -2.171 2.704 1.00 0.00 O ATOM 0 H GLY 1 35 4.805 -0.513 5.369 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.425 -0.220 4.828 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.908 0.315 3.230 1.00 0.00 H new ATOM 512 N CYS 1 36 4.094 -2.574 4.154 1.00 0.00 N ATOM 513 CA CYS 1 36 4.217 -3.975 3.793 1.00 0.00 C ATOM 514 C CYS 1 36 3.954 -4.817 5.044 1.00 0.00 C ATOM 515 O CYS 1 36 3.680 -4.277 6.114 1.00 0.00 O ATOM 516 CB CYS 1 36 5.583 -4.283 3.175 1.00 0.00 C ATOM 517 SG CYS 1 36 6.009 -3.270 1.712 1.00 0.00 S ATOM 0 H CYS 1 36 4.745 -2.260 4.874 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.482 -4.222 3.027 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.351 -4.139 3.935 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.609 -5.335 2.891 1.00 0.00 H new ATOM 522 N CYS 1 37 4.047 -6.127 4.867 1.00 0.00 N ATOM 523 CA CYS 1 37 3.822 -7.048 5.967 1.00 0.00 C ATOM 524 C CYS 1 37 5.042 -7.965 6.083 1.00 0.00 C ATOM 525 O CYS 1 37 5.445 -8.594 5.106 1.00 0.00 O ATOM 526 CB CYS 1 37 2.527 -7.842 5.785 1.00 0.00 C ATOM 527 SG CYS 1 37 1.834 -8.546 7.326 1.00 0.00 S ATOM 0 H CYS 1 37 4.275 -6.572 3.978 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.700 -6.488 6.894 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.779 -7.191 5.331 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.711 -8.654 5.082 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.740 -9.194 7.054 1.00 0.00 H new ATOM 532 N PHE 1 38 5.595 -8.012 7.286 1.00 0.00 N ATOM 533 CA PHE 1 38 6.760 -8.841 7.542 1.00 0.00 C ATOM 534 C PHE 1 38 6.347 -10.252 7.968 1.00 0.00 C ATOM 535 O PHE 1 38 5.641 -10.423 8.961 1.00 0.00 O ATOM 536 CB PHE 1 38 7.535 -8.183 8.685 1.00 0.00 C ATOM 537 CG PHE 1 38 8.939 -8.754 8.896 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.981 -8.285 8.158 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.145 -9.730 9.819 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.284 -8.815 8.353 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.448 -10.260 10.015 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.490 -9.791 9.276 1.00 0.00 C ATOM 0 H PHE 1 38 5.258 -7.489 8.094 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.362 -8.925 6.637 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.615 -7.114 8.488 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.966 -8.295 9.608 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.817 -7.510 7.424 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.317 -10.103 10.404 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.112 -8.442 7.768 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.612 -11.034 10.750 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.481 -10.195 9.423 1.00 0.00 H new ATOM 552 N ASP 1 39 6.803 -11.226 7.195 1.00 0.00 N ATOM 553 CA ASP 1 39 6.489 -12.616 7.480 1.00 0.00 C ATOM 554 C ASP 1 39 7.478 -13.156 8.515 1.00 0.00 C ATOM 555 O ASP 1 39 7.176 -13.196 9.706 1.00 0.00 O ATOM 556 CB ASP 1 39 6.607 -13.477 6.220 1.00 0.00 C ATOM 557 CG ASP 1 39 7.148 -14.889 6.450 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.375 -15.713 6.985 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.323 -15.113 6.086 1.00 0.00 O ATOM 0 H ASP 1 39 7.387 -11.081 6.372 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.466 -12.661 7.853 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.623 -13.552 5.756 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.257 -12.967 5.509 1.00 0.00 H new ATOM 564 N SER 1 40 8.641 -13.558 8.022 1.00 0.00 N ATOM 565 CA SER 1 40 9.677 -14.094 8.888 1.00 0.00 C ATOM 566 C SER 1 40 9.442 -15.588 9.122 1.00 0.00 C ATOM 567 O SER 1 40 10.372 -16.321 9.457 1.00 0.00 O ATOM 568 CB SER 1 40 9.717 -13.349 10.225 1.00 0.00 C ATOM 569 OG SER 1 40 11.048 -13.189 10.706 1.00 0.00 O ATOM 0 H SER 1 40 8.888 -13.523 7.033 1.00 0.00 H new ATOM 0 HA SER 1 40 10.640 -13.956 8.396 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.253 -12.369 10.108 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.128 -13.895 10.962 1.00 0.00 H new ATOM 0 HG SER 1 40 11.029 -12.751 11.582 1.00 0.00 H new ATOM 575 N ARG 1 41 8.196 -15.995 8.935 1.00 0.00 N ATOM 576 CA ARG 1 41 7.828 -17.389 9.120 1.00 0.00 C ATOM 577 C ARG 1 41 8.570 -18.273 8.115 1.00 0.00 C ATOM 578 O ARG 1 41 9.102 -19.320 8.479 1.00 0.00 O ATOM 579 CB ARG 1 41 6.321 -17.589 8.949 1.00 0.00 C ATOM 580 CG ARG 1 41 5.541 -16.424 9.563 1.00 0.00 C ATOM 581 CD ARG 1 41 4.415 -16.935 10.466 1.00 0.00 C ATOM 582 NE ARG 1 41 4.981 -17.726 11.582 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.243 -18.405 12.470 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.906 -18.392 12.381 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.843 -19.095 13.450 1.00 0.00 N ATOM 0 H ARG 1 41 7.428 -15.384 8.657 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.108 -17.673 10.135 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.080 -17.675 7.890 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.018 -18.523 9.422 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.217 -15.793 10.140 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.123 -15.803 8.770 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.843 -16.095 10.859 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.724 -17.549 9.888 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.996 -17.756 11.681 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.450 -17.865 11.637 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.345 -18.909 13.058 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.861 -19.103 13.519 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.282 -19.612 14.127 1.00 0.00 H new ATOM 599 N ILE 1 42 8.582 -17.817 6.871 1.00 0.00 N ATOM 600 CA ILE 1 42 9.250 -18.552 5.812 1.00 0.00 C ATOM 601 C ILE 1 42 10.369 -17.690 5.224 1.00 0.00 C ATOM 602 O ILE 1 42 10.103 -16.686 4.564 1.00 0.00 O ATOM 603 CB ILE 1 42 8.236 -19.034 4.772 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.875 -19.303 5.417 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.763 -20.256 4.016 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.097 -20.362 4.636 1.00 0.00 C ATOM 0 H ILE 1 42 8.140 -16.947 6.573 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.717 -19.452 6.211 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.095 -18.239 4.040 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.016 -19.635 6.446 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.298 -18.379 5.456 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.023 -20.578 3.283 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.690 -19.996 3.505 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.952 -21.066 4.720 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.134 -20.534 5.116 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.937 -20.016 3.615 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.665 -21.292 4.619 1.00 0.00 H new ATOM 618 N PRO 1 43 11.629 -18.122 5.493 1.00 0.00 N ATOM 619 CA PRO 1 43 12.790 -17.401 4.999 1.00 0.00 C ATOM 620 C PRO 1 43 12.989 -17.642 3.501 1.00 0.00 C ATOM 621 O PRO 1 43 13.849 -17.022 2.877 1.00 0.00 O ATOM 622 CB PRO 1 43 13.953 -17.902 5.840 1.00 0.00 C ATOM 623 CG PRO 1 43 13.489 -19.214 6.453 1.00 0.00 C ATOM 624 CD PRO 1 43 11.983 -19.307 6.271 1.00 0.00 C ATOM 0 HA PRO 1 43 12.684 -16.320 5.093 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.843 -18.050 5.228 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.215 -17.180 6.614 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.984 -20.057 5.971 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.749 -19.254 7.511 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.703 -20.222 5.749 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.468 -19.318 7.232 1.00 0.00 H new ATOM 632 N GLY 1 44 12.180 -18.545 2.967 1.00 0.00 N ATOM 633 CA GLY 1 44 12.255 -18.876 1.554 1.00 0.00 C ATOM 634 C GLY 1 44 11.244 -18.061 0.744 1.00 0.00 C ATOM 635 O GLY 1 44 11.188 -18.175 -0.478 1.00 0.00 O ATOM 0 H GLY 1 44 11.469 -19.058 3.488 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.262 -18.683 1.185 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.064 -19.940 1.416 1.00 0.00 H new ATOM 639 N VAL 1 45 10.472 -17.258 1.460 1.00 0.00 N ATOM 640 CA VAL 1 45 9.466 -16.424 0.825 1.00 0.00 C ATOM 641 C VAL 1 45 9.756 -14.955 1.136 1.00 0.00 C ATOM 642 O VAL 1 45 10.743 -14.640 1.800 1.00 0.00 O ATOM 643 CB VAL 1 45 8.068 -16.864 1.263 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.029 -18.368 1.542 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.600 -16.068 2.483 1.00 0.00 C ATOM 0 H VAL 1 45 10.523 -17.167 2.475 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.503 -16.540 -0.258 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.380 -16.657 0.444 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.024 -18.655 1.852 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.299 -18.913 0.638 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.736 -18.609 2.336 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.603 -16.400 2.774 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.292 -16.229 3.310 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.571 -15.007 2.236 1.00 0.00 H new ATOM 655 N PRO 1 46 8.853 -14.071 0.631 1.00 0.00 N ATOM 656 CA PRO 1 46 9.003 -12.642 0.850 1.00 0.00 C ATOM 657 C PRO 1 46 8.622 -12.263 2.283 1.00 0.00 C ATOM 658 O PRO 1 46 7.482 -12.462 2.699 1.00 0.00 O ATOM 659 CB PRO 1 46 8.111 -11.990 -0.193 1.00 0.00 C ATOM 660 CG PRO 1 46 7.142 -13.070 -0.649 1.00 0.00 C ATOM 661 CD PRO 1 46 7.672 -14.408 -0.158 1.00 0.00 C ATOM 0 HA PRO 1 46 10.034 -12.306 0.741 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.576 -11.138 0.228 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.699 -11.615 -1.030 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.146 -12.883 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.053 -13.070 -1.735 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.929 -14.931 0.444 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.926 -15.063 -0.991 1.00 0.00 H new ATOM 669 N TRP 1 47 9.599 -11.727 2.998 1.00 0.00 N ATOM 670 CA TRP 1 47 9.381 -11.319 4.375 1.00 0.00 C ATOM 671 C TRP 1 47 8.959 -9.848 4.372 1.00 0.00 C ATOM 672 O TRP 1 47 9.195 -9.128 5.341 1.00 0.00 O ATOM 673 CB TRP 1 47 10.624 -11.581 5.229 1.00 0.00 C ATOM 674 CG TRP 1 47 11.652 -12.500 4.565 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.612 -13.834 4.448 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.881 -12.095 3.926 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.721 -14.317 3.784 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.518 -13.227 3.456 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.437 -10.816 3.750 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.743 -13.191 2.781 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.662 -10.799 3.073 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.316 -11.928 2.595 1.00 0.00 C ATOM 0 H TRP 1 47 10.544 -11.566 2.650 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.585 -11.909 4.829 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.100 -10.628 5.462 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.315 -12.023 6.176 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.812 -14.454 4.826 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.919 -15.295 3.573 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.957 -9.918 4.109 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.221 -14.091 2.422 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.132 -9.840 2.911 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.262 -11.831 2.083 1.00 0.00 H new ATOM 693 N CYS 1 48 8.340 -9.446 3.271 1.00 0.00 N ATOM 694 CA CYS 1 48 7.882 -8.074 3.130 1.00 0.00 C ATOM 695 C CYS 1 48 6.979 -7.995 1.897 1.00 0.00 C ATOM 696 O CYS 1 48 7.461 -8.047 0.766 1.00 0.00 O ATOM 697 CB CYS 1 48 9.054 -7.093 3.044 1.00 0.00 C ATOM 698 SG CYS 1 48 8.594 -5.332 3.233 1.00 0.00 S ATOM 0 H CYS 1 48 8.145 -10.046 2.469 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.315 -7.783 4.014 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.781 -7.349 3.814 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.549 -7.224 2.082 1.00 0.00 H new ATOM 703 N PHE 1 49 5.686 -7.870 2.158 1.00 0.00 N ATOM 704 CA PHE 1 49 4.711 -7.782 1.084 1.00 0.00 C ATOM 705 C PHE 1 49 3.577 -6.823 1.449 1.00 0.00 C ATOM 706 O PHE 1 49 3.657 -6.115 2.453 1.00 0.00 O ATOM 707 CB PHE 1 49 4.133 -9.185 0.889 1.00 0.00 C ATOM 708 CG PHE 1 49 4.150 -10.046 2.154 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.336 -10.443 2.690 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.981 -10.415 2.742 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.351 -11.242 3.865 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.996 -11.214 3.916 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.182 -11.611 4.452 1.00 0.00 C ATOM 0 H PHE 1 49 5.291 -7.828 3.097 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.189 -7.409 0.178 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.106 -9.098 0.535 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.697 -9.694 0.108 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.265 -10.151 2.223 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.040 -10.100 2.316 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.292 -11.556 4.292 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.067 -11.506 4.383 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.194 -12.220 5.344 1.00 0.00 H new ATOM 723 N LYS 1 50 2.548 -6.828 0.615 1.00 0.00 N ATOM 724 CA LYS 1 50 1.399 -5.967 0.838 1.00 0.00 C ATOM 725 C LYS 1 50 0.136 -6.824 0.936 1.00 0.00 C ATOM 726 O LYS 1 50 -0.716 -6.784 0.050 1.00 0.00 O ATOM 727 CB LYS 1 50 1.325 -4.883 -0.239 1.00 0.00 C ATOM 728 CG LYS 1 50 2.302 -5.176 -1.380 1.00 0.00 C ATOM 729 CD LYS 1 50 3.671 -4.552 -1.105 1.00 0.00 C ATOM 730 CE LYS 1 50 3.532 -3.082 -0.703 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.481 -2.421 -1.508 1.00 0.00 N ATOM 0 H LYS 1 50 2.486 -7.415 -0.217 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.499 -5.437 1.785 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.310 -4.824 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.554 -3.912 0.201 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.408 -6.254 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.902 -4.785 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.174 -5.104 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.297 -4.632 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.286 -3.010 0.356 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.483 -2.569 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.658 -1.397 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.494 -2.802 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.551 -2.599 -1.078 1.00 0.00 H new ATOM 745 N PRO 1 51 0.052 -7.600 2.049 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.094 -8.465 2.274 1.00 0.00 C ATOM 747 C PRO 1 51 -2.317 -7.654 2.705 1.00 0.00 C ATOM 748 O PRO 1 51 -3.039 -7.119 1.865 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.635 -9.456 3.332 1.00 0.00 C ATOM 750 CG PRO 1 51 0.580 -8.828 3.994 1.00 0.00 C ATOM 751 CD PRO 1 51 1.041 -7.673 3.121 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.413 -8.985 1.371 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.424 -9.642 4.061 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.382 -10.417 2.883 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.330 -8.474 4.994 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.377 -9.564 4.106 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.082 -6.742 3.686 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.041 -7.850 2.726 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.514 -7.590 4.014 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.638 -6.853 4.566 1.00 0.00 C ATOM 761 C LEU 1 52 -3.206 -5.416 4.860 1.00 0.00 C ATOM 762 O LEU 1 52 -3.688 -4.800 5.810 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.212 -7.583 5.782 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.732 -7.091 7.148 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -3.950 -8.156 8.223 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.274 -6.631 7.084 1.00 0.00 C ATOM 0 H LEU 1 52 -1.914 -8.036 4.708 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.451 -6.800 3.841 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.298 -7.502 5.750 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.969 -8.642 5.693 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.331 -6.225 7.428 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.600 -7.780 9.184 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.012 -8.392 8.291 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.394 -9.056 7.961 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -1.958 -6.286 8.068 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -1.643 -7.463 6.771 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.181 -5.816 6.367 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.300 -4.922 4.028 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.796 -3.568 4.187 1.00 0.00 C ATOM 780 C GLN 1 53 -2.947 -2.562 4.108 1.00 0.00 C ATOM 781 O GLN 1 53 -2.867 -1.478 4.684 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.723 -3.256 3.143 1.00 0.00 C ATOM 783 CG GLN 1 53 0.473 -4.199 3.288 1.00 0.00 C ATOM 784 CD GLN 1 53 1.016 -4.180 4.719 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.738 -3.285 5.125 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.627 -5.215 5.458 1.00 0.00 N ATOM 0 H GLN 1 53 -1.902 -5.435 3.242 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.333 -3.486 5.170 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.146 -3.350 2.143 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.392 -2.223 3.254 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.175 -5.213 3.022 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.259 -3.905 2.593 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.021 -5.930 5.055 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.934 -5.294 6.427 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.989 -2.957 3.392 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.153 -2.103 3.231 1.00 0.00 C ATOM 797 C GLU 1 54 -5.510 -1.436 4.561 1.00 0.00 C ATOM 798 O GLU 1 54 -6.123 -0.370 4.580 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.340 -2.893 2.678 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.871 -3.884 3.716 1.00 0.00 C ATOM 801 CD GLU 1 54 -6.190 -5.246 3.572 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -5.514 -5.436 2.539 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -6.361 -6.067 4.500 1.00 0.00 O ATOM 0 H GLU 1 54 -4.051 -3.857 2.917 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.910 -1.323 2.509 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.134 -2.206 2.386 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.037 -3.430 1.779 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.700 -3.492 4.719 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -7.949 -3.998 3.597 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.112 -2.091 5.641 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.382 -1.575 6.973 1.00 0.00 C ATOM 812 C ALA 1 55 -5.211 -0.055 6.969 1.00 0.00 C ATOM 813 O ALA 1 55 -6.165 0.682 7.214 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.463 -2.264 7.983 1.00 0.00 C ATOM 0 H ALA 1 55 -4.604 -2.975 5.621 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.409 -1.790 7.268 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.665 -1.877 8.982 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.645 -3.339 7.966 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.423 -2.068 7.722 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.987 0.370 6.690 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.679 1.790 6.652 1.00 0.00 C ATOM 822 C GLU 1 56 -2.772 2.105 5.461 1.00 0.00 C ATOM 823 O GLU 1 56 -2.036 3.090 5.481 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.039 2.247 7.965 1.00 0.00 C ATOM 825 CG GLU 1 56 -4.077 2.311 9.087 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.550 3.116 10.277 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.758 2.535 11.049 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.951 4.295 10.386 1.00 0.00 O ATOM 0 H GLU 1 56 -3.198 -0.244 6.488 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.611 2.341 6.529 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.240 1.560 8.243 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.583 3.228 7.830 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.994 2.766 8.713 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.331 1.301 9.410 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.854 1.249 4.452 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.050 1.423 3.255 1.00 0.00 C ATOM 837 C CYS 1 57 -2.947 1.987 2.152 1.00 0.00 C ATOM 838 O CYS 1 57 -2.641 3.024 1.566 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.376 0.117 2.831 1.00 0.00 C ATOM 840 SG CYS 1 57 -2.330 -0.885 1.633 1.00 0.00 S ATOM 0 H CYS 1 57 -3.466 0.433 4.440 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.240 2.124 3.457 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.404 0.351 2.396 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.190 -0.485 3.720 1.00 0.00 H new ATOM 845 N THR 1 58 -4.039 1.279 1.901 1.00 0.00 N ATOM 846 CA THR 1 58 -4.983 1.695 0.877 1.00 0.00 C ATOM 847 C THR 1 58 -6.037 2.631 1.473 1.00 0.00 C ATOM 848 O THR 1 58 -6.476 3.574 0.818 1.00 0.00 O ATOM 849 CB THR 1 58 -5.576 0.437 0.242 1.00 0.00 C ATOM 850 OG1 THR 1 58 -5.905 0.840 -1.085 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.923 0.049 0.857 1.00 0.00 C ATOM 0 H THR 1 58 -4.291 0.420 2.389 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.490 2.270 0.093 1.00 0.00 H new ATOM 0 HB THR 1 58 -4.874 -0.390 0.353 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.200 1.775 -1.079 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.300 -0.850 0.370 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.795 -0.142 1.923 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.635 0.863 0.717 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.411 2.337 2.710 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.406 3.139 3.402 1.00 0.00 C ATOM 861 C PHE 1 59 -7.266 4.618 3.037 1.00 0.00 C ATOM 862 O PHE 1 59 -7.166 5.471 3.918 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.154 2.969 4.901 1.00 0.00 C ATOM 864 CG PHE 1 59 -8.374 3.268 5.775 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -9.471 2.469 5.706 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -8.359 4.334 6.620 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -10.604 2.747 6.518 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -9.491 4.612 7.431 1.00 0.00 C ATOM 869 CZ PHE 1 59 -10.589 3.812 7.363 1.00 0.00 C ATOM 0 H PHE 1 59 -6.043 1.554 3.251 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.408 2.816 3.120 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.826 1.947 5.090 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.337 3.626 5.198 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.482 1.623 5.035 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -7.487 4.968 6.674 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -11.476 2.113 6.464 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -9.480 5.458 8.102 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -11.449 4.023 7.981 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.779 15.195 -0.585 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.520 14.099 0.015 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.565 12.938 0.300 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.002 11.827 0.594 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.613 13.592 -0.928 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.491 12.476 -0.360 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.630 12.440 0.882 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.004 11.684 -1.179 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.978 14.465 0.934 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.252 14.431 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.144 13.234 -1.844 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.277 13.235 0.203 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.256 12.230 0.446 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.826 12.257 1.915 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.321 13.067 2.696 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.032 12.463 -0.442 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.449 12.796 -1.876 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.574 13.908 -2.457 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.900 14.113 -3.886 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.030 14.575 -4.795 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.779 14.883 -4.430 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.413 14.729 -6.070 1.00 0.00 N ATOM 0 H ARG 2 18 -6.917 14.158 -0.041 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.683 11.256 0.206 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.433 13.278 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.402 11.573 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.370 11.904 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.494 13.105 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.732 14.833 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.521 13.648 -2.349 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.845 13.889 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.487 14.766 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.118 15.234 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.366 14.495 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.752 15.081 -6.762 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.909 11.359 2.245 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.406 11.268 3.605 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.951 11.739 3.638 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.205 11.397 4.555 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.587 9.845 4.136 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.530 9.820 5.665 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.892 9.232 3.626 1.00 0.00 C ATOM 0 H VAL 2 19 -4.501 10.688 1.594 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.974 11.921 4.267 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.763 9.239 3.760 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.661 8.797 6.017 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.564 10.198 5.999 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.324 10.448 6.069 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.996 8.220 4.018 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.734 9.839 3.959 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.877 9.199 2.537 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.590 12.516 2.627 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.237 13.037 2.530 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.261 12.025 3.135 1.00 0.00 C ATOM 1162 O ASP 2 20 0.079 12.116 4.314 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.095 14.350 3.301 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.304 14.628 3.855 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.240 14.681 3.029 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.405 14.781 5.091 1.00 0.00 O ATOM 0 H ASP 2 20 -3.211 12.797 1.868 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.018 13.213 1.477 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.379 15.172 2.644 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.803 14.345 4.130 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.162 11.088 2.301 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.092 10.060 2.739 1.00 0.00 C ATOM 1173 C CYS 2 21 2.242 10.740 3.484 1.00 0.00 C ATOM 1174 O CYS 2 21 2.743 10.212 4.476 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.592 9.213 1.568 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.717 7.420 1.915 1.00 0.00 S ATOM 0 H CYS 2 21 -0.122 11.018 1.324 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.584 9.368 3.410 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.922 9.359 0.720 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.573 9.579 1.266 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.628 11.902 2.977 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.711 12.659 3.580 1.00 0.00 C ATOM 1183 C GLY 2 22 4.970 11.801 3.722 1.00 0.00 C ATOM 1184 O GLY 2 22 5.486 11.627 4.825 1.00 0.00 O ATOM 0 H GLY 2 22 2.210 12.337 2.155 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.931 13.535 2.969 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.403 13.023 4.560 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.427 11.287 2.590 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.614 10.451 2.573 1.00 0.00 C ATOM 1190 C TYR 2 23 7.872 11.288 2.340 1.00 0.00 C ATOM 1191 O TYR 2 23 7.860 12.223 1.540 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.434 9.485 1.400 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.192 8.034 1.819 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.256 7.233 2.183 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 4.910 7.524 1.834 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.029 5.868 2.578 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.682 6.159 2.229 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.752 5.398 2.582 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.537 4.107 2.955 1.00 0.00 O ATOM 0 H TYR 2 23 4.996 11.434 1.677 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.732 9.934 3.526 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.594 9.821 0.792 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.322 9.527 0.769 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.260 7.631 2.171 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.077 8.150 1.549 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.853 5.231 2.865 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 3.683 5.748 2.245 1.00 0.00 H new ATOM 0 HH TYR 2 23 4.760 3.753 2.474 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.957 10.915 3.071 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.219 11.623 2.951 1.00 0.00 C ATOM 1211 C PRO 2 24 10.931 11.258 1.647 1.00 0.00 C ATOM 1212 O PRO 2 24 11.979 11.819 1.329 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.009 11.229 4.190 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.354 9.963 4.717 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.007 9.814 4.028 1.00 0.00 C ATOM 0 HA PRO 2 24 10.092 12.704 2.902 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.057 11.054 3.946 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.984 12.022 4.938 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.983 9.096 4.517 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.226 10.021 5.798 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.923 8.850 3.527 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.187 9.874 4.744 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.334 10.320 0.926 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.896 9.874 -0.337 1.00 0.00 C ATOM 1225 C HIS 2 25 9.862 10.049 -1.449 1.00 0.00 C ATOM 1226 O HIS 2 25 10.021 9.503 -2.541 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.410 8.438 -0.224 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.847 8.264 -0.656 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.762 7.517 0.065 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.515 8.746 -1.744 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.925 7.556 -0.567 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.770 8.319 -1.688 1.00 0.00 N ATOM 0 H HIS 2 25 9.466 9.856 1.193 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.759 10.488 -0.593 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.310 8.107 0.810 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.778 7.788 -0.829 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.094 9.369 -2.519 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.836 7.070 -0.251 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.499 8.527 -2.370 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.825 10.811 -1.136 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.764 11.064 -2.097 1.00 0.00 C ATOM 1243 C VAL 2 26 8.376 11.270 -3.484 1.00 0.00 C ATOM 1244 O VAL 2 26 9.271 12.097 -3.655 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.914 12.250 -1.636 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.795 13.390 -1.123 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.993 12.732 -2.759 1.00 0.00 C ATOM 0 H VAL 2 26 8.696 11.262 -0.230 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.094 10.206 -2.162 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.288 11.913 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.166 14.220 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.390 13.039 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.458 13.725 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.400 13.575 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.594 13.043 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.329 11.921 -3.058 1.00 0.00 H new ATOM 1257 N THR 2 27 7.871 10.503 -4.439 1.00 0.00 N ATOM 1258 CA THR 2 27 8.357 10.592 -5.805 1.00 0.00 C ATOM 1259 C THR 2 27 7.425 9.833 -6.752 1.00 0.00 C ATOM 1260 O THR 2 27 6.723 8.913 -6.333 1.00 0.00 O ATOM 1261 CB THR 2 27 9.798 10.077 -5.828 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.568 11.221 -6.186 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.047 9.087 -6.968 1.00 0.00 C ATOM 0 H THR 2 27 7.130 9.817 -4.294 1.00 0.00 H new ATOM 0 HA THR 2 27 8.359 11.623 -6.159 1.00 0.00 H new ATOM 0 HB THR 2 27 10.029 9.599 -4.876 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.440 11.924 -5.516 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.084 8.752 -6.939 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.385 8.228 -6.855 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.849 9.574 -7.923 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.450 10.256 -8.044 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.617 9.626 -9.054 1.00 0.00 C ATOM 1273 C PRO 2 28 7.178 8.261 -9.456 1.00 0.00 C ATOM 1274 O PRO 2 28 7.293 7.957 -10.642 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.581 10.616 -10.207 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.763 11.547 -9.994 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.269 11.342 -8.576 1.00 0.00 C ATOM 0 HA PRO 2 28 5.610 9.414 -8.695 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.656 10.102 -11.165 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.643 11.171 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.552 11.333 -10.715 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.464 12.584 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.327 11.081 -8.567 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 8.159 12.249 -7.981 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.513 7.474 -8.443 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.059 6.148 -8.676 1.00 0.00 C ATOM 1287 C LYS 2 29 8.345 5.476 -7.331 1.00 0.00 C ATOM 1288 O LYS 2 29 8.500 4.258 -7.262 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.278 6.225 -9.597 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.374 4.983 -10.484 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.457 5.369 -11.962 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.878 4.266 -12.851 1.00 0.00 C ATOM 1293 NZ LYS 2 29 7.472 4.566 -13.200 1.00 0.00 N ATOM 0 H LYS 2 29 7.417 7.729 -7.460 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.334 5.523 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.212 7.117 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.184 6.320 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.253 4.401 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.505 4.346 -10.319 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.913 6.299 -12.130 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.496 5.553 -12.235 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.473 4.174 -13.760 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.934 3.308 -12.335 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.095 3.808 -13.803 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 6.905 4.631 -12.331 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 7.427 5.470 -13.712 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.406 6.301 -6.295 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.672 5.802 -4.956 1.00 0.00 C ATOM 1309 C GLU 2 30 7.362 5.638 -4.182 1.00 0.00 C ATOM 1310 O GLU 2 30 7.150 4.621 -3.523 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.639 6.723 -4.209 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.060 6.155 -4.226 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.989 7.028 -5.071 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.968 6.848 -6.308 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.700 7.855 -4.462 1.00 0.00 O ATOM 0 H GLU 2 30 8.276 7.311 -6.356 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.147 4.825 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.633 7.712 -4.668 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.306 6.848 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.442 6.091 -3.207 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.045 5.141 -4.625 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.518 6.654 -4.288 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.236 6.635 -3.605 1.00 0.00 C ATOM 1324 C CYS 2 31 4.496 5.358 -4.008 1.00 0.00 C ATOM 1325 O CYS 2 31 4.093 4.573 -3.151 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.415 7.890 -3.910 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.986 9.406 -3.060 1.00 0.00 S ATOM 0 H CYS 2 31 6.697 7.495 -4.836 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.395 6.637 -2.527 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.432 8.065 -4.986 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.377 7.704 -3.633 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.340 5.188 -5.313 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.655 4.020 -5.840 1.00 0.00 C ATOM 1334 C ASN 2 32 4.420 2.760 -5.430 1.00 0.00 C ATOM 1335 O ASN 2 32 3.902 1.650 -5.549 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.594 4.060 -7.368 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.272 4.662 -7.848 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.575 4.109 -8.683 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.967 5.822 -7.275 1.00 0.00 N ATOM 0 H ASN 2 32 4.677 5.840 -6.021 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.641 4.013 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.427 4.648 -7.754 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.705 3.052 -7.767 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.104 6.304 -7.527 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.596 6.230 -6.583 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.639 2.973 -4.957 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.480 1.867 -4.529 1.00 0.00 C ATOM 1348 C ASN 2 33 6.212 1.571 -3.053 1.00 0.00 C ATOM 1349 O ASN 2 33 6.256 0.416 -2.629 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.963 2.212 -4.681 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.771 0.983 -5.102 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.238 -0.019 -5.548 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.083 1.117 -4.935 1.00 0.00 N ATOM 0 H ASN 2 33 6.065 3.895 -4.861 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.245 1.004 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.082 3.002 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.348 2.600 -3.738 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.710 0.352 -5.186 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.463 1.984 -4.556 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.940 2.633 -2.308 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.666 2.501 -0.887 1.00 0.00 C ATOM 1362 C ARG 2 34 4.205 2.103 -0.664 1.00 0.00 C ATOM 1363 O ARG 2 34 3.874 1.479 0.343 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.950 3.809 -0.147 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.154 4.532 -0.754 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.235 4.776 0.300 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.560 4.387 -0.233 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.636 4.150 0.528 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.552 4.262 1.861 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.798 3.803 -0.043 1.00 0.00 N ATOM 0 H ARG 2 34 5.904 3.589 -2.662 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.322 1.725 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.073 4.455 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.139 3.602 0.906 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.565 3.939 -1.571 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.835 5.483 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.244 5.828 0.587 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.013 4.202 1.200 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.660 4.294 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.668 4.528 2.296 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.372 4.081 2.441 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.863 3.719 -1.058 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.617 3.623 0.537 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.369 2.483 -1.620 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.951 2.173 -1.540 1.00 0.00 C ATOM 1386 C GLY 2 35 1.112 3.453 -1.530 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.008 3.460 -1.021 1.00 0.00 O ATOM 0 H GLY 2 35 3.646 3.002 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.662 1.551 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.751 1.595 -0.637 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.684 4.502 -2.100 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.003 5.784 -2.163 1.00 0.00 C ATOM 1393 C CYS 2 36 0.796 6.147 -3.636 1.00 0.00 C ATOM 1394 O CYS 2 36 1.319 5.474 -4.523 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.771 6.872 -1.411 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.104 6.498 0.349 1.00 0.00 S ATOM 0 H CYS 2 36 2.612 4.491 -2.523 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.035 5.707 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.721 7.043 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.206 7.802 -1.470 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.033 7.208 -3.850 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.249 7.668 -5.199 1.00 0.00 C ATOM 1403 C CYS 2 37 0.373 9.054 -5.374 1.00 0.00 C ATOM 1404 O CYS 2 37 0.191 9.931 -4.530 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.750 7.673 -5.493 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.189 7.417 -7.251 1.00 0.00 S ATOM 0 H CYS 2 37 -0.399 7.763 -3.111 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.192 6.980 -5.920 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.225 6.894 -4.897 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.167 8.625 -5.164 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.482 7.438 -7.383 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.094 9.211 -6.475 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.743 10.477 -6.771 1.00 0.00 C ATOM 1413 C PHE 2 38 0.864 11.347 -7.672 1.00 0.00 C ATOM 1414 O PHE 2 38 0.563 10.969 -8.803 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.042 10.150 -7.510 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.982 11.347 -7.673 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.816 11.702 -6.659 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.983 12.056 -8.835 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.687 12.812 -6.811 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.855 13.166 -8.987 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.689 13.521 -7.972 1.00 0.00 C ATOM 0 H PHE 2 38 1.243 8.482 -7.173 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.926 11.026 -5.847 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.566 9.360 -6.972 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.798 9.756 -8.496 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.815 11.139 -5.738 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.321 11.774 -9.641 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.348 13.094 -6.005 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.856 13.729 -9.909 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.352 14.365 -8.088 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.475 12.494 -7.135 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.363 13.421 -7.875 1.00 0.00 C ATOM 1433 C ASP 2 39 0.500 14.204 -8.866 1.00 0.00 C ATOM 1434 O ASP 2 39 0.589 13.844 -10.038 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.037 14.424 -6.938 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.255 15.818 -7.531 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.106 15.921 -8.440 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.565 16.749 -7.062 1.00 0.00 O ATOM 0 H ASP 2 39 0.725 12.802 -6.195 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.128 12.843 -8.393 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.002 14.021 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.432 14.520 -6.037 1.00 0.00 H new ATOM 1443 N SER 2 40 1.115 15.262 -8.357 1.00 0.00 N ATOM 1444 CA SER 2 40 1.969 16.100 -9.183 1.00 0.00 C ATOM 1445 C SER 2 40 1.128 17.157 -9.900 1.00 0.00 C ATOM 1446 O SER 2 40 1.645 18.199 -10.301 1.00 0.00 O ATOM 1447 CB SER 2 40 2.748 15.262 -10.198 1.00 0.00 C ATOM 1448 OG SER 2 40 4.060 15.771 -10.417 1.00 0.00 O ATOM 0 H SER 2 40 1.039 15.558 -7.384 1.00 0.00 H new ATOM 0 HA SER 2 40 2.690 16.597 -8.535 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.813 14.233 -9.844 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.205 15.241 -11.143 1.00 0.00 H new ATOM 0 HG SER 2 40 4.670 15.402 -9.745 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.154 16.853 -10.041 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.071 17.764 -10.704 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.215 19.054 -9.893 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.152 20.150 -10.449 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.450 17.124 -10.882 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.324 15.653 -11.282 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.376 15.277 -12.328 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.885 15.615 -13.683 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.670 15.703 -14.765 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.988 15.480 -14.658 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.138 16.016 -15.955 1.00 0.00 N ATOM 0 H ARG 2 41 -0.579 15.988 -9.707 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.660 17.993 -11.687 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.015 17.205 -9.953 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.010 17.665 -11.644 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.327 15.465 -11.680 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.440 15.022 -10.401 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.597 14.211 -12.267 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.307 15.807 -12.127 1.00 0.00 H new ATOM 0 HE ARG 2 41 -1.887 15.792 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.393 15.243 -13.752 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.585 15.547 -15.482 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.136 16.187 -16.036 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.735 16.083 -16.779 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.408 18.880 -8.594 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.563 20.017 -7.703 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.408 20.033 -6.699 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.329 19.170 -5.825 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.945 20.001 -7.049 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.995 19.422 -8.001 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.332 21.395 -6.549 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.391 19.948 -7.661 1.00 0.00 C ATOM 0 H ILE 2 42 -1.461 17.969 -8.137 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.512 20.950 -8.264 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.903 19.347 -6.178 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.744 19.684 -9.029 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.987 18.334 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.319 21.355 -6.088 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.602 21.734 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.351 22.090 -7.388 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.119 19.522 -8.352 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.649 19.663 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.402 21.034 -7.748 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.482 21.049 -6.860 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.628 21.188 -5.979 1.00 0.00 C ATOM 1499 C PRO 2 43 1.206 21.728 -4.612 1.00 0.00 C ATOM 1500 O PRO 2 43 2.017 21.800 -3.690 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.581 22.113 -6.716 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.743 22.827 -7.764 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.420 22.088 -7.884 1.00 0.00 C ATOM 0 HA PRO 2 43 2.110 20.235 -5.761 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.041 22.826 -6.031 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.390 21.550 -7.181 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.576 23.865 -7.477 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.261 22.841 -8.723 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.424 22.757 -7.718 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.295 21.658 -8.878 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.065 22.097 -4.523 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.604 22.630 -3.284 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.237 21.522 -2.440 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.710 21.774 -1.332 1.00 0.00 O ATOM 0 H GLY 2 44 -0.736 22.037 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.190 23.115 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.349 23.394 -3.506 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.225 20.319 -2.995 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.792 19.172 -2.307 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.704 18.115 -2.107 1.00 0.00 C ATOM 1521 O VAL 2 45 0.443 18.317 -2.500 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.002 18.644 -3.080 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.720 19.778 -3.816 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.594 17.533 -4.049 1.00 0.00 C ATOM 0 H VAL 2 45 -0.831 20.114 -3.913 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.153 19.459 -1.320 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.699 18.218 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.576 19.376 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.063 20.520 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.033 20.247 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.474 17.176 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.867 17.921 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.150 16.708 -3.491 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.115 16.980 -1.479 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.188 15.891 -1.220 1.00 0.00 C ATOM 1536 C PRO 2 46 0.115 15.113 -2.503 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.781 14.513 -3.095 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.865 15.042 -0.157 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.336 15.422 -0.195 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.466 16.705 -0.999 1.00 0.00 C ATOM 0 HA PRO 2 46 0.784 16.240 -0.872 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.731 13.980 -0.361 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.437 15.234 0.827 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.924 14.625 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.720 15.564 0.815 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.164 16.584 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.841 17.522 -0.383 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.380 15.149 -2.894 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.811 14.454 -4.095 1.00 0.00 C ATOM 1550 C TRP 2 47 2.187 13.024 -3.705 1.00 0.00 C ATOM 1551 O TRP 2 47 3.023 12.398 -4.355 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.954 15.206 -4.782 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.133 16.646 -4.296 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.401 17.721 -4.615 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.143 17.126 -3.384 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.863 18.856 -3.979 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.957 18.482 -3.207 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.180 16.438 -2.730 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.768 19.265 -2.378 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.983 17.236 -1.906 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.808 18.601 -1.718 1.00 0.00 C ATOM 0 H TRP 2 47 2.120 15.648 -2.401 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.005 14.414 -4.828 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.884 14.660 -4.619 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.774 15.216 -5.857 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.555 17.702 -5.286 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.474 19.795 -4.060 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.344 15.378 -2.853 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.600 20.325 -2.254 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.795 16.757 -1.380 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.472 19.148 -1.065 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.550 12.546 -2.647 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.805 11.201 -2.162 1.00 0.00 C ATOM 1574 C CYS 2 48 0.737 10.852 -1.125 1.00 0.00 C ATOM 1575 O CYS 2 48 0.763 11.361 -0.006 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.219 11.063 -1.594 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.814 9.341 -1.423 1.00 0.00 S ATOM 0 H CYS 2 48 0.856 13.067 -2.111 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.747 10.496 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.909 11.608 -2.238 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.250 11.542 -0.615 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.180 9.987 -1.533 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.255 9.563 -0.653 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.617 8.096 -0.894 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.916 7.392 -1.618 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.469 10.435 -0.980 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.519 10.915 -2.431 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.586 11.795 -2.889 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.494 10.464 -3.265 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.632 12.240 -4.236 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.539 10.910 -4.612 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.607 11.789 -5.069 1.00 0.00 C ATOM 0 H PHE 2 49 -0.200 9.568 -2.463 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.946 9.666 0.387 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.377 9.872 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.468 11.303 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.811 12.154 -2.228 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.234 9.766 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.892 12.937 -4.599 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.313 10.551 -5.274 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.642 12.129 -6.094 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.710 7.680 -0.272 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.173 6.309 -0.410 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.627 6.311 -0.884 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.533 5.973 -0.124 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.952 5.536 0.891 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.930 6.481 2.095 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.497 6.883 2.450 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.595 5.653 2.569 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.342 4.518 3.157 1.00 0.00 N ATOM 0 H LYS 2 50 -3.288 8.267 0.329 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.591 5.785 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.744 4.798 1.018 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.011 4.988 0.837 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.517 7.372 1.873 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.398 5.996 2.951 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.104 7.554 1.686 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.493 7.434 3.391 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.216 5.376 1.585 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.270 5.887 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.687 3.909 3.688 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -2.076 4.881 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.789 3.966 2.397 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.811 6.708 -2.172 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.140 6.760 -2.757 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.652 5.355 -3.080 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.254 4.699 -2.231 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.994 7.637 -3.990 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.508 7.662 -4.309 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.762 7.117 -3.102 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.883 7.175 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.566 7.234 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.370 8.642 -3.801 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.297 7.059 -5.192 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.183 8.678 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.126 6.276 -3.376 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.115 7.875 -2.661 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.393 4.933 -4.309 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.820 3.618 -4.756 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.620 2.669 -4.753 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.474 1.845 -5.653 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.525 3.715 -6.110 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.634 3.553 -7.343 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.848 2.189 -8.000 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.848 4.704 -8.328 1.00 0.00 C ATOM 0 H LEU 2 52 -5.892 5.479 -5.010 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.557 3.202 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.304 2.954 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.022 4.683 -6.170 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.594 3.594 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.202 2.101 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.605 1.400 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.889 2.092 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.203 4.565 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.890 4.719 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.604 5.649 -7.842 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.791 2.818 -3.729 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.608 1.984 -3.598 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.984 0.506 -3.722 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.130 -0.333 -4.001 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.888 2.259 -2.276 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.483 3.731 -2.167 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.482 4.106 -3.261 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.501 5.195 -3.809 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.607 3.145 -3.546 1.00 0.00 N ATOM 0 H GLN 2 53 -4.915 3.503 -2.984 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.920 2.232 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.538 1.994 -1.442 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.002 1.628 -2.202 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.368 4.362 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -2.044 3.920 -1.187 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.647 2.255 -3.049 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.103 3.298 -4.262 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.262 0.233 -3.506 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.761 -1.128 -3.589 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.125 -1.854 -4.776 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.017 -3.080 -4.773 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.287 -1.148 -3.688 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.929 -0.921 -2.317 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.288 -1.617 -2.225 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.903 -1.805 -3.297 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.681 -1.947 -1.086 1.00 0.00 O ATOM 0 H GLU 2 54 -5.967 0.932 -3.273 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.483 -1.653 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.620 -0.376 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.616 -2.105 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.269 -1.299 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -8.051 0.148 -2.141 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.723 -1.069 -5.764 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.101 -1.621 -6.955 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.210 -2.801 -6.559 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.548 -3.954 -6.819 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.324 -0.522 -7.683 1.00 0.00 C ATOM 0 H ALA 2 55 -4.816 -0.053 -5.764 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.858 -1.995 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.858 -0.937 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.007 0.278 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.553 -0.123 -7.023 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.088 -2.471 -5.936 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.145 -3.488 -5.502 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.824 -3.314 -4.017 1.00 0.00 C ATOM 1702 O GLU 2 56 0.215 -3.774 -3.546 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.129 -3.452 -6.348 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.249 -4.707 -7.214 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.336 -4.470 -8.607 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -1.569 -4.623 -8.739 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.464 -4.141 -9.510 1.00 0.00 O ATOM 0 H GLU 2 56 -1.811 -1.513 -5.721 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.605 -4.466 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.122 -2.567 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.000 -3.371 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 1.297 -4.995 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.271 -5.536 -6.734 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.735 -2.650 -3.320 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.560 -2.409 -1.899 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.370 -3.457 -1.131 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.803 -4.372 -0.536 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.960 -0.984 -1.512 1.00 0.00 C ATOM 1719 SG CYS 2 57 -1.119 -0.326 -0.026 1.00 0.00 S ATOM 0 H CYS 2 57 -2.596 -2.272 -3.714 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.505 -2.503 -1.640 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.752 -0.322 -2.353 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -3.037 -0.957 -1.344 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.683 -3.287 -1.170 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.577 -4.207 -0.487 1.00 0.00 C ATOM 1726 C THR 2 58 -4.310 -5.644 -0.938 1.00 0.00 C ATOM 1727 O THR 2 58 -4.341 -6.569 -0.127 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.014 -3.747 -0.741 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.803 -4.595 0.089 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.489 -4.068 -2.160 1.00 0.00 C ATOM 0 H THR 2 58 -4.150 -2.526 -1.664 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.404 -4.200 0.589 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.087 -2.673 -0.567 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.750 -4.364 -0.013 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.514 -3.721 -2.288 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.844 -3.567 -2.882 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.448 -5.145 -2.323 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.056 -5.788 -2.230 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.785 -7.097 -2.798 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.628 -7.782 -2.069 1.00 0.00 C ATOM 1741 O PHE 2 59 -1.927 -8.609 -2.649 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.391 -6.876 -4.261 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.544 -7.054 -5.250 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.547 -6.138 -5.298 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.566 -8.130 -6.082 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.617 -6.303 -6.216 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.636 -8.296 -7.001 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.639 -7.379 -7.048 1.00 0.00 C ATOM 0 H PHE 2 59 -4.032 -5.019 -2.900 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.665 -7.733 -2.705 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.985 -5.870 -4.369 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.593 -7.571 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.530 -5.284 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.769 -8.858 -6.044 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.413 -5.575 -6.254 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.653 -9.150 -7.662 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.453 -7.505 -7.746 1.00 0.00 H new