USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 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= -2! USER MOD Single : 1 25 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.018) USER MOD Single : 1 27 THR OG1 : rot 61:sc= 0.045 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.142 F(o=-1.8,f=-0.14) USER MOD Single : 1 33 ASN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.14 USER MOD Single : 1 40 SER OG : rot 98:sc= 0.183! USER MOD Single : 1 50 LYS NZ :NH3+ -151:sc= -1.2 (180deg=-2.38!) USER MOD Single : 1 53 GLN : amide:sc= -12.5! C(o=-13!,f=-17!) USER MOD Single : 1 58 THR OG1 : rot -139:sc= -1.24 USER MOD Single : 2 23 TYR OH : rot 130:sc= 0 USER MOD Single : 2 25 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-3!) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -1.02 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.0581 F(o=-1.4,f=-0.058) USER MOD Single : 2 33 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.5!) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.143 USER MOD Single : 2 40 SER OG : rot 115:sc= 0.471 USER MOD Single : 2 50 LYS NZ :NH3+ 170:sc= -0.531 (180deg=-0.947) USER MOD Single : 2 53 GLN : amide:sc= -13.8! C(o=-14!,f=-21!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.96 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.599 -16.216 -2.740 1.00 0.00 N ATOM 229 CA ASP 1 17 1.595 -15.502 -3.512 1.00 0.00 C ATOM 230 C ASP 1 17 1.817 -13.996 -3.359 1.00 0.00 C ATOM 231 O ASP 1 17 1.399 -13.214 -4.211 1.00 0.00 O ATOM 232 CB ASP 1 17 0.186 -15.824 -3.014 1.00 0.00 C ATOM 233 CG ASP 1 17 -0.943 -15.447 -3.976 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.853 -15.869 -5.148 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.868 -14.743 -3.517 1.00 0.00 O ATOM 0 HA ASP 1 17 1.689 -15.810 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.125 -16.893 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.024 -15.307 -2.068 1.00 0.00 H new ATOM 240 N ARG 1 18 2.477 -13.635 -2.267 1.00 0.00 N ATOM 241 CA ARG 1 18 2.759 -12.236 -1.992 1.00 0.00 C ATOM 242 C ARG 1 18 3.397 -11.574 -3.215 1.00 0.00 C ATOM 243 O ARG 1 18 3.577 -12.214 -4.249 1.00 0.00 O ATOM 244 CB ARG 1 18 3.699 -12.090 -0.794 1.00 0.00 C ATOM 245 CG ARG 1 18 3.141 -12.819 0.432 1.00 0.00 C ATOM 246 CD ARG 1 18 4.259 -13.521 1.206 1.00 0.00 C ATOM 247 NE ARG 1 18 3.725 -14.079 2.470 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.476 -14.356 3.544 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.797 -14.129 3.516 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.907 -14.858 4.648 1.00 0.00 N ATOM 0 H ARG 1 18 2.824 -14.287 -1.563 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.814 -11.746 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.680 -12.492 -1.046 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.837 -11.034 -0.562 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.634 -12.107 1.083 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.396 -13.550 0.118 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.688 -14.318 0.599 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.062 -12.816 1.420 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.723 -14.264 2.526 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.231 -13.745 2.676 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.368 -14.340 4.334 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.902 -15.029 4.671 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.479 -15.069 5.466 1.00 0.00 H new ATOM 264 N VAL 1 19 3.723 -10.300 -3.054 1.00 0.00 N ATOM 265 CA VAL 1 19 4.337 -9.543 -4.132 1.00 0.00 C ATOM 266 C VAL 1 19 5.770 -9.178 -3.741 1.00 0.00 C ATOM 267 O VAL 1 19 6.354 -8.252 -4.303 1.00 0.00 O ATOM 268 CB VAL 1 19 3.479 -8.321 -4.469 1.00 0.00 C ATOM 269 CG1 VAL 1 19 4.034 -7.582 -5.689 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.019 -8.721 -4.687 1.00 0.00 C ATOM 0 H VAL 1 19 3.574 -9.773 -2.194 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.391 -10.145 -5.039 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.516 -7.639 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.406 -6.718 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 5.051 -7.249 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 4.041 -8.252 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.431 -7.835 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.955 -9.431 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.629 -9.183 -3.780 1.00 0.00 H new ATOM 280 N ASP 1 20 6.295 -9.922 -2.779 1.00 0.00 N ATOM 281 CA ASP 1 20 7.649 -9.687 -2.306 1.00 0.00 C ATOM 282 C ASP 1 20 7.967 -8.195 -2.402 1.00 0.00 C ATOM 283 O ASP 1 20 8.497 -7.732 -3.411 1.00 0.00 O ATOM 284 CB ASP 1 20 8.669 -10.444 -3.159 1.00 0.00 C ATOM 285 CG ASP 1 20 10.065 -9.820 -3.203 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.540 -9.413 -2.120 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.626 -9.761 -4.318 1.00 0.00 O ATOM 0 H ASP 1 20 5.808 -10.688 -2.314 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.711 -10.035 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.754 -11.462 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.287 -10.515 -4.177 1.00 0.00 H new ATOM 292 N CYS 1 21 7.629 -7.480 -1.338 1.00 0.00 N ATOM 293 CA CYS 1 21 7.872 -6.048 -1.290 1.00 0.00 C ATOM 294 C CYS 1 21 9.329 -5.795 -1.683 1.00 0.00 C ATOM 295 O CYS 1 21 9.638 -4.790 -2.321 1.00 0.00 O ATOM 296 CB CYS 1 21 7.541 -5.465 0.085 1.00 0.00 C ATOM 297 SG CYS 1 21 6.613 -3.888 0.046 1.00 0.00 S ATOM 0 H CYS 1 21 7.189 -7.866 -0.503 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.214 -5.540 -1.995 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.961 -6.198 0.645 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.471 -5.310 0.632 1.00 0.00 H new ATOM 302 N GLY 1 22 10.186 -6.723 -1.285 1.00 0.00 N ATOM 303 CA GLY 1 22 11.602 -6.613 -1.587 1.00 0.00 C ATOM 304 C GLY 1 22 12.132 -5.223 -1.232 1.00 0.00 C ATOM 305 O GLY 1 22 12.636 -4.507 -2.096 1.00 0.00 O ATOM 0 H GLY 1 22 9.926 -7.555 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.156 -7.370 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.768 -6.810 -2.646 1.00 0.00 H new ATOM 309 N TYR 1 23 11.999 -4.881 0.041 1.00 0.00 N ATOM 310 CA TYR 1 23 12.458 -3.588 0.521 1.00 0.00 C ATOM 311 C TYR 1 23 13.906 -3.668 1.011 1.00 0.00 C ATOM 312 O TYR 1 23 14.312 -4.671 1.595 1.00 0.00 O ATOM 313 CB TYR 1 23 11.552 -3.230 1.700 1.00 0.00 C ATOM 314 CG TYR 1 23 10.590 -2.074 1.416 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.007 -0.770 1.588 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.304 -2.337 0.988 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.102 0.317 1.320 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.398 -1.249 0.720 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.842 0.024 0.900 1.00 0.00 C ATOM 320 OH TYR 1 23 7.987 1.051 0.648 1.00 0.00 O ATOM 0 H TYR 1 23 11.580 -5.477 0.755 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.418 -2.846 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.974 -4.110 1.981 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.173 -2.970 2.557 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.013 -0.565 1.924 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.977 -3.358 0.854 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.416 1.342 1.450 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.390 -1.440 0.384 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.495 1.834 0.350 1.00 0.00 H new ATOM 330 N PRO 1 24 14.663 -2.569 0.750 1.00 0.00 N ATOM 331 CA PRO 1 24 16.055 -2.505 1.158 1.00 0.00 C ATOM 332 C PRO 1 24 16.174 -2.270 2.665 1.00 0.00 C ATOM 333 O PRO 1 24 17.267 -2.348 3.224 1.00 0.00 O ATOM 334 CB PRO 1 24 16.656 -1.379 0.332 1.00 0.00 C ATOM 335 CG PRO 1 24 15.481 -0.552 -0.163 1.00 0.00 C ATOM 336 CD PRO 1 24 14.214 -1.363 0.060 1.00 0.00 C ATOM 0 HA PRO 1 24 16.588 -3.439 0.981 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.334 -0.773 0.933 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.235 -1.773 -0.503 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.428 0.395 0.374 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.600 -0.313 -1.220 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.490 -0.810 0.659 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.727 -1.605 -0.885 1.00 0.00 H new ATOM 344 N HIS 1 25 15.035 -1.987 3.279 1.00 0.00 N ATOM 345 CA HIS 1 25 14.998 -1.740 4.711 1.00 0.00 C ATOM 346 C HIS 1 25 14.086 -2.767 5.385 1.00 0.00 C ATOM 347 O HIS 1 25 13.718 -2.607 6.548 1.00 0.00 O ATOM 348 CB HIS 1 25 14.583 -0.297 5.002 1.00 0.00 C ATOM 349 CG HIS 1 25 15.689 0.713 4.805 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.446 2.044 4.517 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.044 0.571 4.858 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.610 2.666 4.402 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.600 1.752 4.613 1.00 0.00 N ATOM 0 H HIS 1 25 14.131 -1.923 2.812 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.996 -1.861 5.131 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.745 -0.034 4.356 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.226 -0.233 6.030 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.575 -0.346 5.064 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 16.750 3.714 4.180 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.601 1.944 4.587 1.00 0.00 H new ATOM 362 N VAL 1 26 13.747 -3.799 4.626 1.00 0.00 N ATOM 363 CA VAL 1 26 12.885 -4.851 5.136 1.00 0.00 C ATOM 364 C VAL 1 26 13.230 -5.122 6.601 1.00 0.00 C ATOM 365 O VAL 1 26 14.383 -5.398 6.930 1.00 0.00 O ATOM 366 CB VAL 1 26 13.003 -6.096 4.254 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.468 -6.426 3.962 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.288 -7.289 4.892 1.00 0.00 C ATOM 0 H VAL 1 26 14.054 -3.929 3.662 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.841 -4.540 5.100 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.514 -5.881 3.304 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.522 -7.315 3.334 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.934 -5.587 3.445 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.993 -6.612 4.899 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.387 -8.161 4.245 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.735 -7.505 5.862 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.232 -7.053 5.023 1.00 0.00 H new ATOM 378 N THR 1 27 12.211 -5.035 7.443 1.00 0.00 N ATOM 379 CA THR 1 27 12.392 -5.267 8.866 1.00 0.00 C ATOM 380 C THR 1 27 11.036 -5.406 9.560 1.00 0.00 C ATOM 381 O THR 1 27 10.030 -4.888 9.076 1.00 0.00 O ATOM 382 CB THR 1 27 13.247 -4.130 9.425 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.422 -4.781 9.902 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.636 -3.498 10.677 1.00 0.00 C ATOM 0 H THR 1 27 11.256 -4.807 7.167 1.00 0.00 H new ATOM 0 HA THR 1 27 12.914 -6.206 9.051 1.00 0.00 H new ATOM 0 HB THR 1 27 13.378 -3.365 8.660 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.871 -5.232 9.157 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.283 -2.696 11.033 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.653 -3.092 10.437 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.535 -4.255 11.455 1.00 0.00 H new ATOM 392 N PRO 1 28 11.051 -6.128 10.713 1.00 0.00 N ATOM 393 CA PRO 1 28 9.836 -6.342 11.479 1.00 0.00 C ATOM 394 C PRO 1 28 9.435 -5.074 12.237 1.00 0.00 C ATOM 395 O PRO 1 28 9.230 -5.110 13.448 1.00 0.00 O ATOM 396 CB PRO 1 28 10.151 -7.509 12.399 1.00 0.00 C ATOM 397 CG PRO 1 28 11.667 -7.605 12.447 1.00 0.00 C ATOM 398 CD PRO 1 28 12.224 -6.756 11.315 1.00 0.00 C ATOM 0 HA PRO 1 28 8.976 -6.570 10.849 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.738 -7.344 13.394 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.713 -8.433 12.022 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.042 -7.253 13.408 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.987 -8.641 12.340 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.926 -6.010 11.688 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.763 -7.366 10.590 1.00 0.00 H new ATOM 406 N LYS 1 29 9.336 -3.983 11.491 1.00 0.00 N ATOM 407 CA LYS 1 29 8.964 -2.707 12.077 1.00 0.00 C ATOM 408 C LYS 1 29 9.012 -1.622 10.998 1.00 0.00 C ATOM 409 O LYS 1 29 8.414 -0.559 11.156 1.00 0.00 O ATOM 410 CB LYS 1 29 9.838 -2.402 13.295 1.00 0.00 C ATOM 411 CG LYS 1 29 9.008 -1.787 14.425 1.00 0.00 C ATOM 412 CD LYS 1 29 8.945 -2.725 15.631 1.00 0.00 C ATOM 413 CE LYS 1 29 10.279 -2.748 16.380 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.062 -3.027 17.816 1.00 0.00 N ATOM 0 H LYS 1 29 9.507 -3.957 10.486 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.940 -2.742 12.449 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.313 -3.319 13.645 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.637 -1.717 13.011 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.444 -0.833 14.724 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.999 -1.579 14.068 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.151 -2.403 16.305 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.693 -3.732 15.300 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 10.931 -3.508 15.950 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 10.786 -1.790 16.262 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 10.977 -3.039 18.309 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.457 -2.287 18.226 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 9.598 -3.952 17.924 1.00 0.00 H new ATOM 428 N GLU 1 30 9.729 -1.929 9.927 1.00 0.00 N ATOM 429 CA GLU 1 30 9.862 -0.993 8.823 1.00 0.00 C ATOM 430 C GLU 1 30 8.890 -1.357 7.699 1.00 0.00 C ATOM 431 O GLU 1 30 8.234 -0.483 7.133 1.00 0.00 O ATOM 432 CB GLU 1 30 11.303 -0.952 8.310 1.00 0.00 C ATOM 433 CG GLU 1 30 12.025 0.303 8.804 1.00 0.00 C ATOM 434 CD GLU 1 30 13.489 0.000 9.128 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.719 -1.008 9.831 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.346 0.784 8.665 1.00 0.00 O ATOM 0 H GLU 1 30 10.224 -2.812 9.800 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.611 0.004 9.185 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.838 -1.840 8.647 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.306 -0.972 7.220 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.971 1.082 8.043 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.525 0.689 9.692 1.00 0.00 H new ATOM 443 N CYS 1 31 8.828 -2.648 7.409 1.00 0.00 N ATOM 444 CA CYS 1 31 7.946 -3.138 6.362 1.00 0.00 C ATOM 445 C CYS 1 31 6.521 -2.683 6.682 1.00 0.00 C ATOM 446 O CYS 1 31 5.851 -2.087 5.840 1.00 0.00 O ATOM 447 CB CYS 1 31 8.040 -4.658 6.209 1.00 0.00 C ATOM 448 SG CYS 1 31 9.567 -5.255 5.395 1.00 0.00 S ATOM 0 H CYS 1 31 9.373 -3.370 7.880 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.251 -2.723 5.402 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.970 -5.113 7.197 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.180 -5.005 5.636 1.00 0.00 H new ATOM 453 N ASN 1 32 6.098 -2.983 7.902 1.00 0.00 N ATOM 454 CA ASN 1 32 4.765 -2.613 8.344 1.00 0.00 C ATOM 455 C ASN 1 32 4.682 -1.091 8.484 1.00 0.00 C ATOM 456 O ASN 1 32 3.629 -0.551 8.815 1.00 0.00 O ATOM 457 CB ASN 1 32 4.443 -3.232 9.705 1.00 0.00 C ATOM 458 CG ASN 1 32 3.640 -4.523 9.545 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.248 -5.451 8.814 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.540 -4.667 10.053 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.656 -3.478 8.598 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.052 -2.979 7.605 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.369 -3.440 10.242 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.878 -2.521 10.307 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.130 -3.913 10.604 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.031 -5.542 9.927 1.00 0.00 H new ATOM 467 N ASN 1 33 5.809 -0.443 8.226 1.00 0.00 N ATOM 468 CA ASN 1 33 5.878 1.005 8.319 1.00 0.00 C ATOM 469 C ASN 1 33 5.815 1.605 6.913 1.00 0.00 C ATOM 470 O ASN 1 33 5.267 2.690 6.722 1.00 0.00 O ATOM 471 CB ASN 1 33 7.189 1.453 8.967 1.00 0.00 C ATOM 472 CG ASN 1 33 7.027 2.811 9.651 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.942 3.363 9.744 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.162 3.319 10.123 1.00 0.00 N ATOM 0 H ASN 1 33 6.682 -0.895 7.953 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.041 1.345 8.928 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.510 0.710 9.697 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.971 1.514 8.210 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.158 4.223 10.596 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.036 2.805 10.012 1.00 0.00 H new ATOM 481 N ARG 1 34 6.385 0.875 5.966 1.00 0.00 N ATOM 482 CA ARG 1 34 6.401 1.323 4.584 1.00 0.00 C ATOM 483 C ARG 1 34 5.069 0.994 3.904 1.00 0.00 C ATOM 484 O ARG 1 34 4.687 1.645 2.933 1.00 0.00 O ATOM 485 CB ARG 1 34 7.540 0.662 3.805 1.00 0.00 C ATOM 486 CG ARG 1 34 8.782 0.501 4.681 1.00 0.00 C ATOM 487 CD ARG 1 34 10.006 1.142 4.022 1.00 0.00 C ATOM 488 NE ARG 1 34 10.783 1.902 5.027 1.00 0.00 N ATOM 489 CZ ARG 1 34 10.288 2.917 5.748 1.00 0.00 C ATOM 490 NH1 ARG 1 34 9.015 3.300 5.579 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.066 3.548 6.638 1.00 0.00 N ATOM 0 H ARG 1 34 6.839 -0.024 6.128 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.555 2.402 4.586 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.218 -0.314 3.441 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.784 1.264 2.930 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.607 0.960 5.654 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.972 -0.558 4.857 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.633 0.371 3.573 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.690 1.805 3.217 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.756 1.636 5.180 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 8.423 2.819 4.902 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 8.638 4.073 6.128 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.035 3.256 6.766 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 10.690 4.321 7.187 1.00 0.00 H new ATOM 505 N GLY 1 35 4.400 -0.016 4.442 1.00 0.00 N ATOM 506 CA GLY 1 35 3.120 -0.438 3.899 1.00 0.00 C ATOM 507 C GLY 1 35 3.174 -1.898 3.443 1.00 0.00 C ATOM 508 O GLY 1 35 2.398 -2.311 2.582 1.00 0.00 O ATOM 0 H GLY 1 35 4.720 -0.554 5.247 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.343 -0.317 4.654 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.849 0.200 3.058 1.00 0.00 H new ATOM 512 N CYS 1 36 4.096 -2.638 4.040 1.00 0.00 N ATOM 513 CA CYS 1 36 4.261 -4.043 3.705 1.00 0.00 C ATOM 514 C CYS 1 36 3.918 -4.875 4.943 1.00 0.00 C ATOM 515 O CYS 1 36 3.586 -4.325 5.992 1.00 0.00 O ATOM 516 CB CYS 1 36 5.670 -4.340 3.191 1.00 0.00 C ATOM 517 SG CYS 1 36 6.235 -3.257 1.828 1.00 0.00 S ATOM 0 H CYS 1 36 4.737 -2.292 4.754 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.585 -4.307 2.892 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.371 -4.251 4.021 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.707 -5.375 2.853 1.00 0.00 H new ATOM 522 N CYS 1 37 4.009 -6.186 4.778 1.00 0.00 N ATOM 523 CA CYS 1 37 3.711 -7.100 5.868 1.00 0.00 C ATOM 524 C CYS 1 37 4.931 -7.996 6.091 1.00 0.00 C ATOM 525 O CYS 1 37 5.411 -8.640 5.158 1.00 0.00 O ATOM 526 CB CYS 1 37 2.446 -7.915 5.595 1.00 0.00 C ATOM 527 SG CYS 1 37 1.641 -8.606 7.086 1.00 0.00 S ATOM 0 H CYS 1 37 4.285 -6.638 3.906 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.508 -6.532 6.776 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.729 -7.282 5.072 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.697 -8.735 4.922 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.581 -9.273 6.737 1.00 0.00 H new ATOM 532 N PHE 1 38 5.399 -8.009 7.330 1.00 0.00 N ATOM 533 CA PHE 1 38 6.554 -8.816 7.685 1.00 0.00 C ATOM 534 C PHE 1 38 6.129 -10.221 8.117 1.00 0.00 C ATOM 535 O PHE 1 38 5.380 -10.379 9.081 1.00 0.00 O ATOM 536 CB PHE 1 38 7.240 -8.120 8.862 1.00 0.00 C ATOM 537 CG PHE 1 38 8.616 -8.693 9.207 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.720 -8.259 8.540 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.737 -9.635 10.180 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.997 -8.790 8.860 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.014 -10.167 10.500 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.118 -9.733 9.833 1.00 0.00 C ATOM 0 H PHE 1 38 4.999 -7.474 8.101 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.218 -8.914 6.826 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.346 -7.060 8.632 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.597 -8.193 9.739 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.625 -7.511 7.767 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.861 -9.979 10.710 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.873 -8.445 8.331 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.109 -10.916 11.272 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.090 -10.137 10.076 1.00 0.00 H new ATOM 552 N ASP 1 39 6.625 -11.206 7.382 1.00 0.00 N ATOM 553 CA ASP 1 39 6.306 -12.592 7.677 1.00 0.00 C ATOM 554 C ASP 1 39 7.234 -13.101 8.782 1.00 0.00 C ATOM 555 O ASP 1 39 6.866 -13.099 9.957 1.00 0.00 O ATOM 556 CB ASP 1 39 6.508 -13.478 6.446 1.00 0.00 C ATOM 557 CG ASP 1 39 6.996 -14.897 6.743 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.180 -15.677 7.282 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.173 -15.172 6.425 1.00 0.00 O ATOM 0 H ASP 1 39 7.245 -11.071 6.583 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.262 -12.638 7.988 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.565 -13.541 5.903 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.226 -12.995 5.783 1.00 0.00 H new ATOM 564 N SER 1 40 8.419 -13.525 8.368 1.00 0.00 N ATOM 565 CA SER 1 40 9.402 -14.035 9.309 1.00 0.00 C ATOM 566 C SER 1 40 9.151 -15.521 9.573 1.00 0.00 C ATOM 567 O SER 1 40 10.057 -16.243 9.985 1.00 0.00 O ATOM 568 CB SER 1 40 9.368 -13.249 10.621 1.00 0.00 C ATOM 569 OG SER 1 40 10.676 -13.022 11.140 1.00 0.00 O ATOM 0 H SER 1 40 8.721 -13.526 7.394 1.00 0.00 H new ATOM 0 HA SER 1 40 10.392 -13.913 8.870 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.871 -12.293 10.458 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.776 -13.795 11.356 1.00 0.00 H new ATOM 0 HG SER 1 40 10.976 -12.124 10.889 1.00 0.00 H new ATOM 575 N ARG 1 41 7.917 -15.933 9.326 1.00 0.00 N ATOM 576 CA ARG 1 41 7.535 -17.319 9.532 1.00 0.00 C ATOM 577 C ARG 1 41 8.306 -18.230 8.575 1.00 0.00 C ATOM 578 O ARG 1 41 8.809 -19.279 8.979 1.00 0.00 O ATOM 579 CB ARG 1 41 6.033 -17.516 9.314 1.00 0.00 C ATOM 580 CG ARG 1 41 5.238 -16.342 9.888 1.00 0.00 C ATOM 581 CD ARG 1 41 4.027 -16.836 10.683 1.00 0.00 C ATOM 582 NE ARG 1 41 4.474 -17.467 11.945 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.927 -16.786 13.006 1.00 0.00 C ATOM 584 NH1 ARG 1 41 4.994 -15.448 12.964 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.311 -17.441 14.109 1.00 0.00 N ATOM 0 H ARG 1 41 7.168 -15.331 8.985 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.778 -17.580 10.562 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.826 -17.614 8.248 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.712 -18.444 9.787 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.881 -15.743 10.533 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.906 -15.693 9.078 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.359 -16.002 10.900 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.459 -17.553 10.089 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.435 -18.484 12.011 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.700 -14.949 12.124 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 5.339 -14.929 13.772 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.259 -18.459 14.142 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 5.656 -16.922 14.916 1.00 0.00 H new ATOM 599 N ILE 1 42 8.376 -17.797 7.325 1.00 0.00 N ATOM 600 CA ILE 1 42 9.078 -18.561 6.307 1.00 0.00 C ATOM 601 C ILE 1 42 10.211 -17.712 5.729 1.00 0.00 C ATOM 602 O ILE 1 42 9.964 -16.761 4.988 1.00 0.00 O ATOM 603 CB ILE 1 42 8.096 -19.076 5.253 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.715 -19.321 5.862 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.645 -20.323 4.555 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.857 -20.194 4.943 1.00 0.00 C ATOM 0 H ILE 1 42 7.958 -16.927 6.994 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.536 -19.448 6.744 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.978 -18.306 4.491 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.822 -19.805 6.833 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.215 -18.368 6.034 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 7.928 -20.669 3.811 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.588 -20.080 4.065 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.811 -21.109 5.292 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.880 -20.353 5.400 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.731 -19.696 3.981 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.348 -21.156 4.792 1.00 0.00 H new ATOM 618 N PRO 1 43 11.463 -18.094 6.099 1.00 0.00 N ATOM 619 CA PRO 1 43 12.635 -17.377 5.627 1.00 0.00 C ATOM 620 C PRO 1 43 12.929 -17.713 4.163 1.00 0.00 C ATOM 621 O PRO 1 43 13.841 -17.146 3.563 1.00 0.00 O ATOM 622 CB PRO 1 43 13.756 -17.792 6.567 1.00 0.00 C ATOM 623 CG PRO 1 43 13.284 -19.070 7.240 1.00 0.00 C ATOM 624 CD PRO 1 43 11.794 -19.214 6.976 1.00 0.00 C ATOM 0 HA PRO 1 43 12.501 -16.295 5.642 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.683 -17.959 6.019 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 13.956 -17.014 7.303 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.826 -19.930 6.848 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.480 -19.032 8.312 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.566 -20.169 6.502 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.222 -19.174 7.903 1.00 0.00 H new ATOM 632 N GLY 1 44 12.138 -18.633 3.630 1.00 0.00 N ATOM 633 CA GLY 1 44 12.302 -19.051 2.248 1.00 0.00 C ATOM 634 C GLY 1 44 11.424 -18.215 1.315 1.00 0.00 C ATOM 635 O GLY 1 44 11.512 -18.342 0.095 1.00 0.00 O ATOM 0 H GLY 1 44 11.382 -19.101 4.130 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.347 -18.951 1.956 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.043 -20.105 2.150 1.00 0.00 H new ATOM 639 N VAL 1 45 10.597 -17.378 1.924 1.00 0.00 N ATOM 640 CA VAL 1 45 9.704 -16.521 1.163 1.00 0.00 C ATOM 641 C VAL 1 45 9.991 -15.058 1.507 1.00 0.00 C ATOM 642 O VAL 1 45 10.921 -14.764 2.258 1.00 0.00 O ATOM 643 CB VAL 1 45 8.250 -16.922 1.420 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.136 -18.420 1.706 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.648 -16.098 2.560 1.00 0.00 C ATOM 0 H VAL 1 45 10.527 -17.275 2.936 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.877 -16.643 0.094 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.679 -16.710 0.516 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.092 -18.678 1.885 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.507 -18.983 0.850 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.727 -18.668 2.587 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.614 -16.403 2.722 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.223 -16.264 3.471 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.678 -15.040 2.299 1.00 0.00 H new ATOM 655 N PRO 1 46 9.154 -14.156 0.928 1.00 0.00 N ATOM 656 CA PRO 1 46 9.308 -12.731 1.166 1.00 0.00 C ATOM 657 C PRO 1 46 8.808 -12.351 2.561 1.00 0.00 C ATOM 658 O PRO 1 46 7.636 -12.544 2.878 1.00 0.00 O ATOM 659 CB PRO 1 46 8.525 -12.059 0.050 1.00 0.00 C ATOM 660 CG PRO 1 46 7.582 -13.120 -0.495 1.00 0.00 C ATOM 661 CD PRO 1 46 8.043 -14.469 0.034 1.00 0.00 C ATOM 0 HA PRO 1 46 10.350 -12.412 1.151 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.970 -11.199 0.425 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.193 -11.692 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.558 -12.917 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.590 -13.114 -1.585 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.240 -14.982 0.564 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.360 -15.125 -0.777 1.00 0.00 H new ATOM 669 N TRP 1 47 9.723 -11.817 3.357 1.00 0.00 N ATOM 670 CA TRP 1 47 9.390 -11.407 4.710 1.00 0.00 C ATOM 671 C TRP 1 47 8.967 -9.938 4.670 1.00 0.00 C ATOM 672 O TRP 1 47 9.119 -9.217 5.654 1.00 0.00 O ATOM 673 CB TRP 1 47 10.557 -11.667 5.665 1.00 0.00 C ATOM 674 CG TRP 1 47 11.646 -12.572 5.085 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.652 -13.910 5.007 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.896 -12.147 4.501 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.809 -14.377 4.418 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.589 -13.271 4.100 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.422 -10.857 4.317 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.849 -13.219 3.492 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.682 -10.821 3.707 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.393 -11.943 3.298 1.00 0.00 C ATOM 0 H TRP 1 47 10.695 -11.659 3.090 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.560 -11.997 5.097 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.003 -10.713 5.945 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.172 -12.119 6.579 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.852 -14.543 5.361 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.048 -15.354 4.247 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.896 -9.964 4.622 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.373 -14.114 3.189 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.133 -9.853 3.543 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.361 -11.831 2.832 1.00 0.00 H new ATOM 693 N CYS 1 48 8.445 -9.537 3.520 1.00 0.00 N ATOM 694 CA CYS 1 48 7.999 -8.166 3.338 1.00 0.00 C ATOM 695 C CYS 1 48 7.185 -8.094 2.044 1.00 0.00 C ATOM 696 O CYS 1 48 7.739 -8.204 0.951 1.00 0.00 O ATOM 697 CB CYS 1 48 9.173 -7.186 3.329 1.00 0.00 C ATOM 698 SG CYS 1 48 8.704 -5.424 3.488 1.00 0.00 S ATOM 0 H CYS 1 48 8.321 -10.138 2.705 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.371 -7.870 4.178 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.848 -7.443 4.145 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.730 -7.317 2.401 1.00 0.00 H new ATOM 703 N PHE 1 49 5.884 -7.908 2.210 1.00 0.00 N ATOM 704 CA PHE 1 49 4.988 -7.820 1.070 1.00 0.00 C ATOM 705 C PHE 1 49 3.806 -6.896 1.370 1.00 0.00 C ATOM 706 O PHE 1 49 3.783 -6.229 2.404 1.00 0.00 O ATOM 707 CB PHE 1 49 4.463 -9.232 0.803 1.00 0.00 C ATOM 708 CG PHE 1 49 4.362 -10.105 2.055 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.493 -10.551 2.665 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.143 -10.435 2.558 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.400 -11.361 3.827 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.049 -11.247 3.721 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.181 -11.692 4.330 1.00 0.00 C ATOM 0 H PHE 1 49 5.429 -7.816 3.118 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.520 -7.415 0.209 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.478 -9.161 0.341 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.118 -9.722 0.083 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.462 -10.289 2.265 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.245 -10.080 2.074 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.298 -11.715 4.312 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.081 -11.510 4.120 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.111 -12.309 5.214 1.00 0.00 H new ATOM 723 N LYS 1 50 2.854 -6.887 0.450 1.00 0.00 N ATOM 724 CA LYS 1 50 1.672 -6.057 0.603 1.00 0.00 C ATOM 725 C LYS 1 50 0.424 -6.941 0.570 1.00 0.00 C ATOM 726 O LYS 1 50 -0.333 -6.918 -0.399 1.00 0.00 O ATOM 727 CB LYS 1 50 1.662 -4.940 -0.443 1.00 0.00 C ATOM 728 CG LYS 1 50 2.469 -5.339 -1.680 1.00 0.00 C ATOM 729 CD LYS 1 50 3.911 -4.840 -1.578 1.00 0.00 C ATOM 730 CE LYS 1 50 3.952 -3.357 -1.204 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.850 -2.623 -1.865 1.00 0.00 N ATOM 0 H LYS 1 50 2.877 -7.442 -0.405 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.682 -5.556 1.571 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.635 -4.716 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.078 -4.029 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.463 -6.424 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.000 -4.926 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.449 -5.422 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.421 -4.993 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.872 -3.247 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.910 -2.928 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.137 -1.636 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.631 -3.073 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.006 -2.643 -1.258 1.00 0.00 H new ATOM 745 N PRO 1 51 0.243 -7.723 1.669 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.899 -8.613 1.774 1.00 0.00 C ATOM 747 C PRO 1 51 -2.179 -7.831 2.077 1.00 0.00 C ATOM 748 O PRO 1 51 -2.791 -7.262 1.174 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.531 -9.597 2.872 1.00 0.00 C ATOM 750 CG PRO 1 51 0.596 -8.944 3.656 1.00 0.00 C ATOM 751 CD PRO 1 51 1.119 -7.777 2.836 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.110 -9.137 0.842 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.387 -9.802 3.515 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.213 -10.551 2.451 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.236 -8.599 4.625 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.393 -9.662 3.849 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.082 -6.847 3.403 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.158 -7.932 2.545 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.545 -7.827 3.351 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.740 -7.123 3.784 1.00 0.00 C ATOM 761 C LEU 1 52 -3.366 -5.698 4.195 1.00 0.00 C ATOM 762 O LEU 1 52 -3.966 -5.134 5.110 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.458 -7.911 4.881 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.010 -7.624 6.315 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.056 -6.792 7.059 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.677 -8.921 7.057 1.00 0.00 C ATOM 0 H LEU 1 52 -2.035 -8.300 4.097 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.453 -7.042 2.963 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.526 -7.707 4.807 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.322 -8.975 4.685 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.095 -7.033 6.275 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.713 -6.602 8.076 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.202 -5.844 6.542 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.999 -7.337 7.090 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.361 -8.688 8.074 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.560 -9.559 7.089 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.872 -9.441 6.538 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.378 -5.154 3.499 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.918 -3.806 3.780 1.00 0.00 C ATOM 780 C GLN 1 53 -3.093 -2.826 3.748 1.00 0.00 C ATOM 781 O GLN 1 53 -2.998 -1.720 4.278 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.824 -3.383 2.798 1.00 0.00 C ATOM 783 CG GLN 1 53 0.389 -4.309 2.895 1.00 0.00 C ATOM 784 CD GLN 1 53 0.931 -4.355 4.326 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.715 -3.520 4.746 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.470 -5.373 5.047 1.00 0.00 N ATOM 0 H GLN 1 53 -1.883 -5.624 2.741 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.486 -3.792 4.781 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.217 -3.399 1.782 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.520 -2.357 3.007 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.111 -5.313 2.575 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.170 -3.964 2.217 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.185 -6.036 4.633 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.771 -5.491 6.014 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.173 -3.268 3.121 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.364 -2.444 3.012 1.00 0.00 C ATOM 797 C GLU 1 54 -5.653 -1.750 4.345 1.00 0.00 C ATOM 798 O GLU 1 54 -6.286 -0.695 4.374 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.565 -3.275 2.556 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.397 -3.740 3.753 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.512 -2.741 4.068 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.573 -2.852 3.417 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.278 -1.890 4.953 1.00 0.00 O ATOM 0 H GLU 1 54 -4.248 -4.186 2.683 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.185 -1.679 2.257 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.187 -2.683 1.884 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.219 -4.141 1.991 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.829 -4.718 3.542 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.753 -3.858 4.624 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.175 -2.368 5.414 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.373 -1.823 6.746 1.00 0.00 C ATOM 812 C ALA 1 55 -5.291 -0.296 6.685 1.00 0.00 C ATOM 813 O ALA 1 55 -6.296 0.391 6.861 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.342 -2.424 7.703 1.00 0.00 C ATOM 0 H ALA 1 55 -4.650 -3.242 5.385 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.361 -2.086 7.125 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.491 -2.015 8.702 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.461 -3.507 7.733 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.338 -2.179 7.357 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.084 0.190 6.433 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.858 1.623 6.346 1.00 0.00 C ATOM 822 C GLU 1 56 -3.146 1.969 5.036 1.00 0.00 C ATOM 823 O GLU 1 56 -2.507 3.014 4.931 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.063 2.127 7.552 1.00 0.00 C ATOM 825 CG GLU 1 56 -1.699 1.439 7.636 1.00 0.00 C ATOM 826 CD GLU 1 56 -0.615 2.422 8.083 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -0.332 3.352 7.296 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -0.095 2.223 9.202 1.00 0.00 O ATOM 0 H GLU 1 56 -3.253 -0.383 6.286 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.825 2.125 6.355 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.926 3.206 7.477 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -3.626 1.940 8.467 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -1.751 0.606 8.337 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -1.438 1.022 6.664 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.281 1.071 4.071 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.659 1.269 2.773 1.00 0.00 C ATOM 837 C CYS 1 57 -3.721 1.792 1.806 1.00 0.00 C ATOM 838 O CYS 1 57 -3.718 2.970 1.453 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.002 -0.014 2.260 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.773 0.233 0.927 1.00 0.00 S ATOM 0 H CYS 1 57 -3.812 0.205 4.162 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.856 2.001 2.859 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.514 -0.515 3.096 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.781 -0.684 1.897 1.00 0.00 H new ATOM 845 N THR 1 58 -4.606 0.890 1.404 1.00 0.00 N ATOM 846 CA THR 1 58 -5.673 1.246 0.484 1.00 0.00 C ATOM 847 C THR 1 58 -6.409 2.493 0.979 1.00 0.00 C ATOM 848 O THR 1 58 -6.941 3.262 0.180 1.00 0.00 O ATOM 849 CB THR 1 58 -6.582 0.028 0.320 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.215 0.234 -0.940 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.739 0.021 1.321 1.00 0.00 C ATOM 0 H THR 1 58 -4.605 -0.086 1.699 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.278 1.508 -0.498 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.994 -0.882 0.439 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.160 -0.020 -0.877 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.353 -0.865 1.161 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.342 0.009 2.336 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.347 0.914 1.180 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.418 2.653 2.294 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.082 3.792 2.905 1.00 0.00 C ATOM 861 C PHE 1 59 -6.958 5.036 2.024 1.00 0.00 C ATOM 862 O PHE 1 59 -7.874 5.854 1.964 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.382 4.054 4.240 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.322 4.512 5.357 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.418 3.771 5.669 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.061 5.661 6.036 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.292 4.196 6.705 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.934 6.085 7.073 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.031 5.345 7.385 1.00 0.00 C ATOM 0 H PHE 1 59 -5.976 2.013 2.954 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.143 3.578 3.037 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.874 3.143 4.557 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.613 4.812 4.093 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.624 2.859 5.129 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.191 6.250 5.787 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.163 3.607 6.953 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.726 6.996 7.614 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.695 5.669 8.173 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.414 15.195 0.379 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.045 14.100 1.097 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.082 12.913 1.156 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.492 11.791 1.452 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.322 13.640 0.390 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.291 12.841 1.262 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.004 11.643 1.478 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.298 13.443 1.692 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.295 14.453 2.098 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.842 14.517 0.005 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.044 13.031 -0.470 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.821 13.199 0.868 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.797 12.168 0.884 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.127 12.107 2.259 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.349 12.975 3.100 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.733 12.432 -0.183 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.377 12.756 -1.533 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.573 13.818 -2.284 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.008 13.876 -3.698 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.330 14.505 -4.667 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.181 15.133 -4.382 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.800 14.506 -5.922 1.00 0.00 N ATOM 0 H ARG 2 18 -6.485 14.130 0.622 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.282 11.216 0.669 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.098 13.261 0.129 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.089 11.558 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.441 11.850 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.397 13.109 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.710 14.791 -1.812 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.509 13.586 -2.231 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.878 13.408 -3.950 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.823 15.132 -3.427 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.665 15.612 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.674 14.028 -6.140 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.283 14.985 -6.660 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.321 11.071 2.442 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.617 10.885 3.699 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.235 11.533 3.607 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.375 11.294 4.453 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.558 9.397 4.050 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.155 9.194 5.513 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -4.890 8.708 3.748 1.00 0.00 C ATOM 0 H VAL 2 19 -4.140 10.352 1.741 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.152 11.376 4.512 1.00 0.00 H new ATOM 0 HB VAL 2 19 -2.794 8.936 3.424 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.121 8.128 5.736 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.172 9.632 5.684 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -3.885 9.677 6.162 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -4.820 7.651 4.007 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.682 9.174 4.335 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.119 8.807 2.687 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.064 12.341 2.570 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.800 13.026 2.355 1.00 0.00 C ATOM 1161 C ASP 2 20 0.348 12.119 2.801 1.00 0.00 C ATOM 1162 O ASP 2 20 0.876 12.275 3.901 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.728 14.316 3.173 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.688 14.789 3.510 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.557 14.658 2.622 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.868 15.272 4.649 1.00 0.00 O ATOM 0 H ASP 2 20 -2.780 12.536 1.870 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.722 13.266 1.295 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.238 15.107 2.622 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.277 14.170 4.103 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.701 11.190 1.925 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.778 10.258 2.216 1.00 0.00 C ATOM 1173 C CYS 2 21 2.973 11.053 2.743 1.00 0.00 C ATOM 1174 O CYS 2 21 3.678 10.600 3.643 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.146 9.419 0.989 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.828 7.764 1.368 1.00 0.00 S ATOM 0 H CYS 2 21 0.261 11.062 1.014 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.453 9.548 2.976 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.257 9.297 0.370 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.875 9.970 0.395 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.166 12.227 2.158 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.264 13.090 2.558 1.00 0.00 C ATOM 1183 C GLY 2 22 5.500 12.269 2.928 1.00 0.00 C ATOM 1184 O GLY 2 22 5.974 12.330 4.063 1.00 0.00 O ATOM 0 H GLY 2 22 2.581 12.600 1.411 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.508 13.775 1.746 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.960 13.700 3.409 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.988 11.519 1.951 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.160 10.687 2.160 1.00 0.00 C ATOM 1190 C TYR 2 23 8.438 11.426 1.758 1.00 0.00 C ATOM 1191 O TYR 2 23 8.391 12.368 0.969 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.981 9.470 1.250 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.585 8.191 1.991 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 5.367 8.116 2.635 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.447 7.113 2.015 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 4.994 6.913 3.333 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.073 5.909 2.713 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.866 5.868 3.336 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.513 4.732 3.995 1.00 0.00 O ATOM 0 H TYR 2 23 5.593 11.470 1.012 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.253 10.414 3.211 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 6.219 9.696 0.504 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.912 9.292 0.711 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 4.693 8.960 2.616 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 8.401 7.172 1.511 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 4.044 6.842 3.842 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 7.737 5.058 2.740 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.645 3.959 3.408 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.579 10.959 2.333 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.866 11.566 2.043 1.00 0.00 C ATOM 1211 C PRO 2 24 11.361 11.162 0.652 1.00 0.00 C ATOM 1212 O PRO 2 24 12.306 11.751 0.131 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.784 11.095 3.159 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.107 9.879 3.770 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.672 9.845 3.272 1.00 0.00 C ATOM 0 HA PRO 2 24 10.821 12.655 2.015 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.770 10.840 2.772 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.927 11.878 3.904 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.631 8.967 3.485 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.132 9.935 4.858 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.444 8.897 2.785 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.965 9.960 4.094 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.699 10.161 0.091 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.060 9.672 -1.228 1.00 0.00 C ATOM 1225 C HIS 2 25 9.910 9.928 -2.203 1.00 0.00 C ATOM 1226 O HIS 2 25 9.964 9.510 -3.358 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.469 8.198 -1.169 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.680 7.863 -2.006 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.424 6.711 -1.821 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.268 8.539 -3.034 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.413 6.704 -2.702 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.315 7.839 -3.453 1.00 0.00 N ATOM 0 H HIS 2 25 9.915 9.675 0.526 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.930 10.216 -1.595 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.671 7.929 -0.132 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.630 7.585 -1.500 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.938 9.484 -3.439 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.164 5.935 -2.807 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 14.943 8.106 -4.211 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.894 10.615 -1.702 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.732 10.933 -2.514 1.00 0.00 C ATOM 1243 C VAL 2 26 8.184 11.264 -3.937 1.00 0.00 C ATOM 1244 O VAL 2 26 8.895 12.244 -4.154 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.931 12.063 -1.863 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.850 13.209 -1.435 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.829 12.564 -2.798 1.00 0.00 C ATOM 0 H VAL 2 26 8.852 10.960 -0.743 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.064 10.074 -2.577 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.454 11.663 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.256 13.999 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.581 12.840 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.368 13.606 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.275 13.367 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.276 12.939 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.150 11.744 -3.032 1.00 0.00 H new ATOM 1257 N THR 2 27 7.755 10.427 -4.870 1.00 0.00 N ATOM 1258 CA THR 2 27 8.107 10.618 -6.267 1.00 0.00 C ATOM 1259 C THR 2 27 7.213 9.762 -7.165 1.00 0.00 C ATOM 1260 O THR 2 27 6.589 8.809 -6.699 1.00 0.00 O ATOM 1261 CB THR 2 27 9.598 10.313 -6.425 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.107 11.432 -7.146 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.857 9.123 -7.352 1.00 0.00 C ATOM 0 H THR 2 27 7.167 9.614 -4.686 1.00 0.00 H new ATOM 0 HA THR 2 27 7.936 11.648 -6.580 1.00 0.00 H new ATOM 0 HB THR 2 27 10.033 10.112 -5.446 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.069 11.317 -7.291 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.930 8.949 -7.430 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.374 8.234 -6.947 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.452 9.337 -8.341 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.177 10.141 -8.471 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.369 9.418 -9.439 1.00 0.00 C ATOM 1273 C PRO 2 28 7.020 8.084 -9.808 1.00 0.00 C ATOM 1274 O PRO 2 28 7.169 7.767 -10.987 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.236 10.362 -10.623 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.351 11.383 -10.470 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.902 11.264 -9.058 1.00 0.00 C ATOM 0 HA PRO 2 28 5.387 9.148 -9.050 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.328 9.822 -11.565 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.260 10.847 -10.628 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.137 11.202 -11.203 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.974 12.390 -10.649 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.976 11.081 -9.066 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.739 12.180 -8.491 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.391 7.337 -8.778 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.023 6.044 -8.980 1.00 0.00 C ATOM 1287 C LYS 2 29 8.314 5.406 -7.620 1.00 0.00 C ATOM 1288 O LYS 2 29 8.421 4.185 -7.513 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.259 6.185 -9.870 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.397 4.986 -10.811 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.254 5.417 -12.272 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.098 4.680 -12.951 1.00 0.00 C ATOM 1293 NZ LYS 2 29 7.951 5.127 -14.354 1.00 0.00 N ATOM 0 H LYS 2 29 7.266 7.603 -7.801 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.351 5.370 -9.512 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.189 7.103 -10.453 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.151 6.269 -9.249 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.367 4.511 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.637 4.242 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.084 6.492 -12.323 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.182 5.216 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 8.277 3.605 -12.922 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 7.172 4.863 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.162 4.617 -14.800 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.758 6.149 -14.374 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.829 4.930 -14.875 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.433 6.261 -6.614 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.710 5.796 -5.266 1.00 0.00 C ATOM 1309 C GLU 2 30 7.403 5.601 -4.493 1.00 0.00 C ATOM 1310 O GLU 2 30 7.224 4.590 -3.816 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.641 6.762 -4.533 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.085 6.257 -4.555 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.573 6.058 -5.991 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.107 5.083 -6.619 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.402 6.886 -6.429 1.00 0.00 O ATOM 0 H GLU 2 30 8.343 7.273 -6.706 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.218 4.834 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.589 7.746 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.309 6.880 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.731 6.970 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.153 5.316 -4.010 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.525 6.584 -4.622 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.241 6.534 -3.944 1.00 0.00 C ATOM 1324 C CYS 2 31 4.548 5.223 -4.324 1.00 0.00 C ATOM 1325 O CYS 2 31 4.199 4.426 -3.455 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.377 7.752 -4.276 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.968 9.329 -3.560 1.00 0.00 S ATOM 0 H CYS 2 31 6.677 7.420 -5.186 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.396 6.564 -2.865 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.324 7.858 -5.360 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.362 7.567 -3.924 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.371 5.040 -5.624 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.726 3.840 -6.130 1.00 0.00 C ATOM 1334 C ASN 2 32 4.546 2.615 -5.722 1.00 0.00 C ATOM 1335 O ASN 2 32 4.077 1.484 -5.833 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.640 3.864 -7.658 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.297 4.428 -8.123 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.842 5.429 -7.374 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.712 3.985 -9.098 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.663 5.703 -6.342 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.720 3.796 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.452 4.469 -8.062 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.769 2.855 -8.049 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 2.117 3.215 -9.629 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.818 4.385 -9.382 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.757 2.883 -5.256 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.647 1.816 -4.830 1.00 0.00 C ATOM 1348 C ASN 2 33 6.396 1.507 -3.353 1.00 0.00 C ATOM 1349 O ASN 2 33 6.464 0.351 -2.936 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.113 2.227 -4.984 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.971 1.043 -5.434 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.477 0.021 -5.884 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.278 1.235 -5.288 1.00 0.00 N ATOM 0 H ASN 2 33 6.143 3.823 -5.164 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.449 0.944 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.193 3.035 -5.711 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.488 2.612 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.934 0.503 -5.559 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.625 2.114 -4.905 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.110 2.560 -2.602 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.847 2.417 -1.180 1.00 0.00 C ATOM 1362 C ARG 2 34 4.394 1.999 -0.948 1.00 0.00 C ATOM 1363 O ARG 2 34 4.076 1.381 0.067 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.122 3.724 -0.434 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.321 4.458 -1.035 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.415 4.672 0.013 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.727 4.258 -0.534 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.902 4.520 0.054 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.937 5.196 1.210 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.043 4.106 -0.514 1.00 0.00 N ATOM 0 H ARG 2 34 6.055 3.517 -2.952 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.515 1.646 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.241 4.364 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.311 3.513 0.619 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.721 3.885 -1.871 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.000 5.421 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.449 5.721 0.307 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.188 4.097 0.911 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.737 3.741 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.069 5.511 1.643 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.832 5.395 1.657 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.017 3.591 -1.394 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.937 4.306 -0.066 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.550 2.353 -1.906 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.138 2.023 -1.818 1.00 0.00 C ATOM 1386 C GLY 2 35 1.281 3.290 -1.772 1.00 0.00 C ATOM 1387 O GLY 2 35 0.159 3.266 -1.266 1.00 0.00 O ATOM 0 H GLY 2 35 3.817 2.865 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.849 1.415 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.956 1.424 -0.926 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.841 4.365 -2.306 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.142 5.638 -2.333 1.00 0.00 C ATOM 1393 C CYS 2 36 0.818 5.979 -3.788 1.00 0.00 C ATOM 1394 O CYS 2 36 1.288 5.309 -4.707 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.955 6.744 -1.656 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.333 6.446 0.110 1.00 0.00 S ATOM 0 H CYS 2 36 2.771 4.381 -2.724 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.215 5.558 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.892 6.870 -2.198 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.408 7.683 -1.743 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.016 7.020 -3.955 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.376 7.458 -5.284 1.00 0.00 C ATOM 1403 C CYS 2 37 0.178 8.866 -5.509 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.073 9.770 -4.714 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.894 7.405 -5.471 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.448 7.263 -7.210 1.00 0.00 S ATOM 0 H CYS 2 37 -0.373 7.573 -3.192 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.041 6.782 -6.031 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.286 6.557 -4.909 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.331 8.304 -5.037 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.747 7.224 -7.250 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.921 9.008 -6.596 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.513 10.290 -6.936 1.00 0.00 C ATOM 1413 C PHE 2 38 0.590 11.094 -7.854 1.00 0.00 C ATOM 1414 O PHE 2 38 0.265 10.653 -8.955 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.819 9.998 -7.676 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.650 11.245 -7.989 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.479 11.764 -7.044 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.558 11.834 -9.212 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.250 12.921 -7.334 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.330 12.991 -9.501 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.159 13.510 -8.557 1.00 0.00 C ATOM 0 H PHE 2 38 1.127 8.256 -7.253 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.680 10.874 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.420 9.315 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.589 9.484 -8.609 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.551 11.296 -6.073 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.899 11.422 -9.962 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.908 13.333 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.258 13.459 -10.472 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.745 14.390 -8.778 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.193 12.261 -7.367 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.686 13.131 -8.130 1.00 0.00 C ATOM 1433 C ASP 2 39 0.156 14.040 -9.028 1.00 0.00 C ATOM 1434 O ASP 2 39 0.349 13.747 -10.207 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.519 14.021 -7.205 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.367 15.077 -7.916 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.329 14.665 -8.600 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -2.036 16.271 -7.758 1.00 0.00 O ATOM 0 H ASP 2 39 0.464 12.624 -6.453 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.352 12.502 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.178 13.387 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.848 14.524 -6.508 1.00 0.00 H new ATOM 1443 N SER 2 40 0.635 15.123 -8.436 1.00 0.00 N ATOM 1444 CA SER 2 40 1.452 16.077 -9.168 1.00 0.00 C ATOM 1445 C SER 2 40 0.560 17.114 -9.852 1.00 0.00 C ATOM 1446 O SER 2 40 1.035 18.170 -10.266 1.00 0.00 O ATOM 1447 CB SER 2 40 2.331 15.370 -10.201 1.00 0.00 C ATOM 1448 OG SER 2 40 3.606 15.992 -10.333 1.00 0.00 O ATOM 0 H SER 2 40 0.474 15.362 -7.458 1.00 0.00 H new ATOM 0 HA SER 2 40 2.107 16.582 -8.458 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.464 14.328 -9.911 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.826 15.370 -11.167 1.00 0.00 H new ATOM 0 HG SER 2 40 4.304 15.375 -10.028 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.719 16.778 -9.948 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.681 17.667 -10.574 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.769 18.985 -9.800 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.800 20.058 -10.399 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.069 17.024 -10.630 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.046 15.744 -11.467 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.225 15.704 -12.442 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.749 15.961 -13.820 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.523 15.870 -14.911 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.812 15.528 -14.790 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.007 16.121 -16.122 1.00 0.00 N ATOM 0 H ARG 2 41 -1.110 15.902 -9.602 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.340 17.861 -11.591 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.409 16.796 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.783 17.729 -11.056 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.109 15.685 -12.021 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.083 14.875 -10.810 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.716 14.732 -12.393 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.967 16.450 -12.159 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.772 16.224 -13.947 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.205 15.337 -13.868 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.401 15.459 -15.620 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.025 16.381 -16.214 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.596 16.052 -16.952 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.805 18.859 -8.482 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.888 20.026 -7.620 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.692 20.037 -6.667 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.603 19.204 -5.766 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.242 20.071 -6.909 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.327 19.395 -7.750 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.617 21.507 -6.535 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.720 19.704 -7.198 1.00 0.00 C ATOM 0 H ILE 2 42 -1.778 17.966 -7.989 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.833 20.941 -8.210 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.159 19.507 -5.980 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.257 19.736 -8.783 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.166 18.317 -7.759 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.583 21.511 -6.031 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.859 21.919 -5.869 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.676 22.115 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.473 19.212 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.794 19.340 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.887 20.781 -7.213 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.223 21.015 -6.905 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.411 21.145 -6.078 1.00 0.00 C ATOM 1499 C PRO 2 43 1.067 21.750 -4.715 1.00 0.00 C ATOM 1500 O PRO 2 43 1.931 21.871 -3.849 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.361 22.011 -6.889 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.502 22.714 -7.926 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.151 22.018 -7.963 1.00 0.00 C ATOM 0 HA PRO 2 43 1.869 20.184 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.872 22.732 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.131 21.405 -7.366 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.382 23.767 -7.671 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.978 22.675 -8.906 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.662 22.722 -7.787 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.031 21.557 -8.934 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.199 22.114 -4.568 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.668 22.704 -3.325 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.210 21.630 -2.379 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.514 21.913 -1.222 1.00 0.00 O ATOM 0 H GLY 2 44 -0.914 22.012 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.149 23.241 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.449 23.435 -3.537 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.315 20.419 -2.908 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.814 19.301 -2.125 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.754 18.199 -2.084 1.00 0.00 C ATOM 1521 O VAL 2 45 0.351 18.375 -2.596 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.152 18.823 -2.693 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.964 19.996 -3.245 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.943 17.749 -3.761 1.00 0.00 C ATOM 0 H VAL 2 45 -1.063 20.188 -3.869 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.003 19.608 -1.096 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.721 18.377 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.910 19.629 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.159 20.711 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.402 20.485 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.910 17.427 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.344 18.157 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.425 16.896 -3.323 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.137 17.056 -1.454 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.232 15.925 -1.339 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.105 15.187 -2.673 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.086 14.651 -3.187 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.822 15.061 -0.237 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.272 15.495 -0.096 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.438 16.811 -0.836 1.00 0.00 C ATOM 0 HA PRO 2 46 0.786 16.224 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.754 14.003 -0.492 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.281 15.199 0.699 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.939 14.738 -0.509 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.535 15.612 0.955 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.227 16.747 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.711 17.617 -0.155 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.113 15.184 -3.197 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.381 14.521 -4.462 1.00 0.00 C ATOM 1550 C TRP 2 47 1.806 13.083 -4.161 1.00 0.00 C ATOM 1551 O TRP 2 47 2.573 12.487 -4.916 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.420 15.294 -5.276 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.751 16.677 -4.711 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.042 17.807 -4.828 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.913 17.030 -3.929 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.658 18.860 -4.182 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.831 18.372 -3.618 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.994 16.243 -3.500 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.801 19.044 -2.864 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.955 16.929 -2.748 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.889 18.279 -2.426 1.00 0.00 C ATOM 0 H TRP 2 47 1.924 15.630 -2.769 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.485 14.496 -5.082 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.336 14.706 -5.329 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.055 15.408 -6.297 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.106 17.885 -5.361 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.316 19.819 -4.128 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.077 15.191 -3.732 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.715 20.095 -2.633 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.808 16.369 -2.393 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.673 18.736 -1.841 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.290 12.566 -3.056 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.605 11.209 -2.646 1.00 0.00 C ATOM 1574 C CYS 2 48 0.703 10.840 -1.466 1.00 0.00 C ATOM 1575 O CYS 2 48 0.789 11.449 -0.400 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.088 11.054 -2.300 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.627 9.333 -1.988 1.00 0.00 S ATOM 0 H CYS 2 48 0.655 13.063 -2.431 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.417 10.524 -3.473 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.682 11.464 -3.117 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.305 11.654 -1.416 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.142 9.846 -1.696 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.059 9.389 -0.667 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.439 7.924 -0.882 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.809 7.225 -1.673 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.319 10.252 -0.775 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.601 10.765 -2.188 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.812 11.732 -2.730 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.640 10.257 -2.901 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -2.075 12.209 -4.042 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.902 10.733 -4.213 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -3.114 11.700 -4.755 1.00 0.00 C ATOM 0 H PHE 2 49 -0.211 9.344 -2.581 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.590 9.474 0.313 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.175 9.671 -0.432 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.222 11.104 -0.102 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.986 12.137 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.267 9.491 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.449 12.976 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.727 10.327 -4.780 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.314 12.063 -5.752 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.469 7.501 -0.163 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.941 6.131 -0.266 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.407 6.132 -0.703 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.293 5.789 0.079 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.691 5.379 1.043 1.00 0.00 C ATOM 1607 CG LYS 2 50 -1.893 6.238 2.026 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.389 6.096 1.782 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.412 6.857 2.840 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.321 6.882 4.126 1.00 0.00 N ATOM 0 H LYS 2 50 -2.990 8.083 0.493 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.381 5.592 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.643 5.097 1.492 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.149 4.456 0.838 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.185 7.283 1.922 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.129 5.942 3.048 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.112 5.042 1.799 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.140 6.475 0.791 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 1.385 6.384 2.978 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.598 7.876 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.302 7.250 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.156 7.496 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -0.625 5.918 4.371 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.624 6.532 -1.984 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.967 6.583 -2.536 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.484 5.177 -2.851 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.850 4.429 -1.945 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.853 7.463 -3.770 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.376 7.493 -4.126 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.599 6.945 -2.939 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.694 6.994 -1.836 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.445 7.061 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.227 8.467 -3.569 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.186 6.894 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.059 8.511 -4.353 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.969 6.105 -3.232 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.942 7.703 -2.512 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.497 4.861 -4.137 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.964 3.558 -4.582 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.778 2.594 -4.653 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.687 1.783 -5.574 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.731 3.686 -5.900 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.897 3.567 -7.177 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.217 2.269 -7.922 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.078 4.798 -8.067 1.00 0.00 C ATOM 0 H LEU 2 52 -6.192 5.484 -4.885 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.672 3.142 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.505 2.919 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.238 4.651 -5.910 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.845 3.526 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.611 2.209 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.996 1.417 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.273 2.255 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.474 4.688 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.128 4.896 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.761 5.689 -7.525 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.899 2.713 -3.668 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.723 1.863 -3.607 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.121 0.394 -3.771 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.285 -0.446 -4.100 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.956 2.080 -2.302 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.413 3.508 -2.215 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.459 3.803 -3.374 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.430 4.890 -3.928 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.682 2.777 -3.708 1.00 0.00 N ATOM 0 H GLN 2 53 -4.978 3.386 -2.906 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.060 2.134 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.612 1.884 -1.454 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.132 1.369 -2.238 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.241 4.217 -2.231 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.893 3.646 -1.267 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.758 1.894 -3.203 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.010 2.873 -4.470 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.398 0.131 -3.534 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.917 -1.221 -3.651 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.355 -1.900 -4.902 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.296 -3.126 -4.975 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.446 -1.222 -3.668 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.980 -0.771 -5.029 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.494 -0.972 -5.119 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.169 -0.655 -4.116 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.942 -1.439 -6.189 1.00 0.00 O ATOM 0 H GLU 2 54 -6.088 0.831 -3.262 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.595 -1.789 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.815 -2.222 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.822 -0.560 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.739 0.280 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.487 -1.334 -5.822 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.954 -1.071 -5.855 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.399 -1.575 -7.100 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.641 -2.876 -6.826 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.050 -3.944 -7.281 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.506 -0.504 -7.732 1.00 0.00 C ATOM 0 H ALA 2 55 -5.002 -0.054 -5.790 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.194 -1.799 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.090 -0.882 -8.666 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.097 0.390 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.695 -0.256 -7.047 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.552 -2.745 -6.083 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.735 -3.896 -5.741 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.289 -3.817 -4.281 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.369 -4.523 -3.870 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.530 -4.010 -6.677 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.869 -4.855 -7.908 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.028 -4.485 -9.091 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.145 -5.043 -9.153 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.423 -3.652 -9.906 1.00 0.00 O ATOM 0 H GLU 2 56 -2.216 -1.858 -5.708 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.339 -4.795 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.213 -3.015 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.308 -4.458 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.748 -5.912 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.914 -4.706 -8.179 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.962 -2.952 -3.535 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.646 -2.772 -2.128 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.549 -3.698 -1.311 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.063 -4.538 -0.556 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.789 -1.310 -1.699 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.551 -0.745 -0.476 1.00 0.00 S ATOM 0 H CYS 2 57 -2.725 -2.368 -3.879 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.603 -3.034 -1.950 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.719 -0.678 -2.584 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.785 -1.164 -1.281 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.850 -3.513 -1.489 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.825 -4.321 -0.778 1.00 0.00 C ATOM 1726 C THR 2 58 -4.752 -5.777 -1.241 1.00 0.00 C ATOM 1727 O THR 2 58 -5.078 -6.691 -0.485 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.202 -3.687 -0.981 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.022 -4.318 -0.001 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.839 -4.085 -2.314 1.00 0.00 C ATOM 0 H THR 2 58 -4.250 -2.815 -2.116 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.615 -4.343 0.291 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.113 -2.602 -0.932 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.934 -3.964 -0.061 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.815 -3.608 -2.408 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.197 -3.763 -3.134 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.960 -5.168 -2.351 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.321 -5.948 -2.483 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.202 -7.277 -3.056 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.794 -8.299 -1.993 1.00 0.00 C ATOM 1741 O PHE 2 59 -3.443 -9.432 -2.317 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.108 -7.207 -4.124 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.617 -7.420 -5.551 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.806 -6.884 -5.936 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.880 -8.145 -6.435 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.279 -7.082 -7.260 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.353 -8.344 -7.759 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.542 -7.807 -8.144 1.00 0.00 C ATOM 0 H PHE 2 59 -4.050 -5.188 -3.107 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.160 -7.589 -3.473 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.619 -6.235 -4.065 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.350 -7.959 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.391 -6.308 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -1.935 -8.569 -6.130 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.224 -6.657 -7.565 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.769 -8.922 -8.460 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.901 -7.956 -9.152 1.00 0.00 H new