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 80:sc= -1.32 USER MOD Single : 1 25 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.6) USER MOD Single : 1 27 THR OG1 : rot 62:sc= 0.0168 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.05 K(o=-2.1,f=-0.15) USER MOD Single : 1 33 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.2!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.0496 USER MOD Single : 1 40 SER OG : rot 116:sc= 0.202 USER MOD Single : 1 50 LYS NZ :NH3+ -151:sc= -1.08 (180deg=-1.9!) USER MOD Single : 1 53 GLN : amide:sc= -12.8! C(o=-13!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -38:sc= -1.6! USER MOD Single : 2 23 TYR OH : rot -140:sc= -1.41 USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 2 27 THR OG1 : rot 62:sc= 0.0364 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.1) USER MOD Single : 2 33 ASN : amide:sc= -0.0653 K(o=-0.065,f=-1.8!) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0709 USER MOD Single : 2 40 SER OG : rot 99:sc= 0.256 USER MOD Single : 2 50 LYS NZ :NH3+ -159:sc= -3.76! (180deg=-4.87!) USER MOD Single : 2 53 GLN : amide:sc= -13.7! C(o=-14!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -3.55! USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.413 -16.654 -1.993 1.00 0.00 N ATOM 229 CA ASP 1 17 1.393 -15.992 -2.789 1.00 0.00 C ATOM 230 C ASP 1 17 1.495 -14.479 -2.585 1.00 0.00 C ATOM 231 O ASP 1 17 0.563 -13.742 -2.906 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.009 -16.433 -2.364 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.111 -16.162 -3.390 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.891 -16.518 -4.568 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.149 -15.601 -2.974 1.00 0.00 O ATOM 0 HA ASP 1 17 1.554 -16.259 -3.833 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.012 -17.501 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.267 -15.926 -1.434 1.00 0.00 H new ATOM 240 N ARG 1 18 2.633 -14.061 -2.052 1.00 0.00 N ATOM 241 CA ARG 1 18 2.868 -12.649 -1.802 1.00 0.00 C ATOM 242 C ARG 1 18 3.521 -11.995 -3.021 1.00 0.00 C ATOM 243 O ARG 1 18 3.965 -12.686 -3.938 1.00 0.00 O ATOM 244 CB ARG 1 18 3.767 -12.449 -0.581 1.00 0.00 C ATOM 245 CG ARG 1 18 3.249 -13.243 0.618 1.00 0.00 C ATOM 246 CD ARG 1 18 4.403 -13.874 1.400 1.00 0.00 C ATOM 247 NE ARG 1 18 3.903 -14.446 2.669 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.690 -14.805 3.693 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.018 -14.656 3.601 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.148 -15.315 4.807 1.00 0.00 N ATOM 0 H ARG 1 18 3.403 -14.675 -1.786 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.903 -12.181 -1.609 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.783 -12.764 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.812 -11.390 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.677 -12.586 1.274 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.568 -14.022 0.276 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.875 -14.653 0.802 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.166 -13.124 1.606 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.896 -14.575 2.771 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.430 -14.269 2.752 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.617 -14.929 4.380 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.137 -15.430 4.876 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.747 -15.588 5.586 1.00 0.00 H new ATOM 264 N VAL 1 19 3.561 -10.671 -2.993 1.00 0.00 N ATOM 265 CA VAL 1 19 4.153 -9.917 -4.085 1.00 0.00 C ATOM 266 C VAL 1 19 5.602 -9.572 -3.733 1.00 0.00 C ATOM 267 O VAL 1 19 6.200 -8.689 -4.348 1.00 0.00 O ATOM 268 CB VAL 1 19 3.301 -8.682 -4.390 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.618 -8.129 -5.781 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.810 -8.997 -4.250 1.00 0.00 C ATOM 0 H VAL 1 19 3.193 -10.101 -2.231 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.173 -10.515 -4.996 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.550 -7.913 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.000 -7.252 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.670 -7.849 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.410 -8.891 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.227 -8.103 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.539 -9.790 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.601 -9.323 -3.231 1.00 0.00 H new ATOM 280 N ASP 1 20 6.124 -10.286 -2.747 1.00 0.00 N ATOM 281 CA ASP 1 20 7.491 -10.066 -2.308 1.00 0.00 C ATOM 282 C ASP 1 20 7.844 -8.586 -2.470 1.00 0.00 C ATOM 283 O ASP 1 20 8.353 -8.177 -3.513 1.00 0.00 O ATOM 284 CB ASP 1 20 8.477 -10.883 -3.146 1.00 0.00 C ATOM 285 CG ASP 1 20 9.875 -10.274 -3.274 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.596 -10.288 -2.254 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.191 -9.808 -4.390 1.00 0.00 O ATOM 0 H ASP 1 20 5.625 -11.017 -2.240 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.563 -10.374 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.568 -11.876 -2.707 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.061 -11.013 -4.145 1.00 0.00 H new ATOM 292 N CYS 1 21 7.559 -7.824 -1.425 1.00 0.00 N ATOM 293 CA CYS 1 21 7.840 -6.399 -1.439 1.00 0.00 C ATOM 294 C CYS 1 21 9.301 -6.201 -1.846 1.00 0.00 C ATOM 295 O CYS 1 21 9.629 -5.248 -2.552 1.00 0.00 O ATOM 296 CB CYS 1 21 7.530 -5.748 -0.090 1.00 0.00 C ATOM 297 SG CYS 1 21 6.643 -4.150 -0.193 1.00 0.00 S ATOM 0 H CYS 1 21 7.136 -8.167 -0.562 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.192 -5.905 -2.164 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.933 -6.441 0.503 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.466 -5.594 0.447 1.00 0.00 H new ATOM 302 N GLY 1 22 10.140 -7.116 -1.384 1.00 0.00 N ATOM 303 CA GLY 1 22 11.559 -7.054 -1.691 1.00 0.00 C ATOM 304 C GLY 1 22 12.106 -5.642 -1.475 1.00 0.00 C ATOM 305 O GLY 1 22 12.598 -5.013 -2.410 1.00 0.00 O ATOM 0 H GLY 1 22 9.864 -7.905 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.102 -7.758 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.725 -7.358 -2.725 1.00 0.00 H new ATOM 309 N TYR 1 23 11.999 -5.183 -0.235 1.00 0.00 N ATOM 310 CA TYR 1 23 12.477 -3.857 0.115 1.00 0.00 C ATOM 311 C TYR 1 23 13.929 -3.906 0.594 1.00 0.00 C ATOM 312 O TYR 1 23 14.344 -4.872 1.232 1.00 0.00 O ATOM 313 CB TYR 1 23 11.589 -3.381 1.267 1.00 0.00 C ATOM 314 CG TYR 1 23 10.674 -2.209 0.903 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.119 -0.912 1.060 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.405 -2.449 0.418 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.259 0.192 0.718 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.545 -1.346 0.075 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.014 -0.081 0.243 1.00 0.00 C ATOM 320 OH TYR 1 23 8.201 0.961 -0.080 1.00 0.00 O ATOM 0 H TYR 1 23 11.588 -5.706 0.538 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.435 -3.193 -0.749 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.976 -4.215 1.608 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.223 -3.088 2.104 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.113 -0.725 1.440 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 9.057 -3.464 0.296 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.595 1.212 0.836 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.550 -1.520 -0.307 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.447 1.306 -0.963 1.00 0.00 H new ATOM 330 N PRO 1 24 14.681 -2.824 0.259 1.00 0.00 N ATOM 331 CA PRO 1 24 16.079 -2.734 0.647 1.00 0.00 C ATOM 332 C PRO 1 24 16.214 -2.410 2.137 1.00 0.00 C ATOM 333 O PRO 1 24 17.307 -2.492 2.696 1.00 0.00 O ATOM 334 CB PRO 1 24 16.668 -1.659 -0.250 1.00 0.00 C ATOM 335 CG PRO 1 24 15.486 -0.865 -0.782 1.00 0.00 C ATOM 336 CD PRO 1 24 14.223 -1.661 -0.497 1.00 0.00 C ATOM 0 HA PRO 1 24 16.613 -3.676 0.520 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.351 -1.017 0.307 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.240 -2.101 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.437 0.113 -0.303 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.594 -0.691 -1.853 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.505 -1.074 0.076 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.726 -1.959 -1.420 1.00 0.00 H new ATOM 344 N HIS 1 25 15.089 -2.049 2.736 1.00 0.00 N ATOM 345 CA HIS 1 25 15.068 -1.713 4.149 1.00 0.00 C ATOM 346 C HIS 1 25 14.152 -2.686 4.894 1.00 0.00 C ATOM 347 O HIS 1 25 13.832 -2.470 6.063 1.00 0.00 O ATOM 348 CB HIS 1 25 14.670 -0.249 4.353 1.00 0.00 C ATOM 349 CG HIS 1 25 15.837 0.672 4.620 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.680 2.018 4.898 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.178 0.426 4.649 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.880 2.550 5.084 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.807 1.562 4.929 1.00 0.00 N ATOM 0 H HIS 1 25 14.185 -1.982 2.268 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.069 -1.819 4.567 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.140 0.100 3.467 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.972 -0.186 5.188 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.649 -0.530 4.474 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.087 3.584 5.317 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.817 1.676 5.014 1.00 0.00 H new ATOM 362 N VAL 1 26 13.758 -3.736 4.189 1.00 0.00 N ATOM 363 CA VAL 1 26 12.885 -4.743 4.770 1.00 0.00 C ATOM 364 C VAL 1 26 13.245 -4.934 6.245 1.00 0.00 C ATOM 365 O VAL 1 26 14.401 -5.192 6.577 1.00 0.00 O ATOM 366 CB VAL 1 26 12.969 -6.038 3.960 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.426 -6.418 3.686 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.229 -7.175 4.667 1.00 0.00 C ATOM 0 H VAL 1 26 14.027 -3.912 3.221 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.845 -4.418 4.729 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.481 -5.867 3.001 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.459 -7.342 3.109 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.910 -5.621 3.122 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.948 -6.562 4.632 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.304 -8.084 4.070 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.675 -7.346 5.647 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.180 -6.906 4.788 1.00 0.00 H new ATOM 378 N THR 1 27 12.234 -4.799 7.089 1.00 0.00 N ATOM 379 CA THR 1 27 12.429 -4.953 8.521 1.00 0.00 C ATOM 380 C THR 1 27 11.081 -5.088 9.232 1.00 0.00 C ATOM 381 O THR 1 27 10.061 -4.619 8.731 1.00 0.00 O ATOM 382 CB THR 1 27 13.261 -3.768 9.017 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.443 -4.367 9.539 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.630 -3.074 10.225 1.00 0.00 C ATOM 0 H THR 1 27 11.277 -4.585 6.809 1.00 0.00 H new ATOM 0 HA THR 1 27 12.974 -5.869 8.748 1.00 0.00 H new ATOM 0 HB THR 1 27 13.384 -3.048 8.208 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.916 -4.836 8.821 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.260 -2.241 10.536 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.642 -2.700 9.955 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.537 -3.785 11.046 1.00 0.00 H new ATOM 392 N PRO 1 28 11.121 -5.750 10.419 1.00 0.00 N ATOM 393 CA PRO 1 28 9.915 -5.954 11.204 1.00 0.00 C ATOM 394 C PRO 1 28 9.490 -4.660 11.900 1.00 0.00 C ATOM 395 O PRO 1 28 9.296 -4.639 13.115 1.00 0.00 O ATOM 396 CB PRO 1 28 10.264 -7.067 12.179 1.00 0.00 C ATOM 397 CG PRO 1 28 11.782 -7.125 12.221 1.00 0.00 C ATOM 398 CD PRO 1 28 12.312 -6.321 11.044 1.00 0.00 C ATOM 0 HA PRO 1 28 9.057 -6.233 10.593 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.854 -6.863 13.168 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.846 -8.019 11.851 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.154 -6.716 13.161 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.126 -8.158 12.164 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.999 -5.541 11.374 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.860 -6.954 10.347 1.00 0.00 H new ATOM 406 N LYS 1 29 9.356 -3.612 11.101 1.00 0.00 N ATOM 407 CA LYS 1 29 8.957 -2.317 11.626 1.00 0.00 C ATOM 408 C LYS 1 29 8.980 -1.284 10.496 1.00 0.00 C ATOM 409 O LYS 1 29 8.312 -0.255 10.577 1.00 0.00 O ATOM 410 CB LYS 1 29 9.825 -1.934 12.826 1.00 0.00 C ATOM 411 CG LYS 1 29 9.011 -1.165 13.868 1.00 0.00 C ATOM 412 CD LYS 1 29 9.013 -1.895 15.213 1.00 0.00 C ATOM 413 CE LYS 1 29 7.762 -2.763 15.368 1.00 0.00 C ATOM 414 NZ LYS 1 29 8.046 -3.933 16.229 1.00 0.00 N ATOM 0 H LYS 1 29 9.517 -3.633 10.094 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.935 -2.357 12.002 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.244 -2.833 13.278 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.664 -1.324 12.492 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.425 -0.165 13.993 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.986 -1.044 13.517 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.904 -2.518 15.291 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.059 -1.169 16.025 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 6.954 -2.173 15.801 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.422 -3.099 14.389 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.187 -4.511 16.324 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.802 -4.504 15.800 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.349 -3.607 17.169 1.00 0.00 H new ATOM 428 N GLU 1 30 9.755 -1.597 9.468 1.00 0.00 N ATOM 429 CA GLU 1 30 9.874 -0.710 8.324 1.00 0.00 C ATOM 430 C GLU 1 30 8.904 -1.135 7.219 1.00 0.00 C ATOM 431 O GLU 1 30 8.242 -0.295 6.612 1.00 0.00 O ATOM 432 CB GLU 1 30 11.312 -0.673 7.806 1.00 0.00 C ATOM 433 CG GLU 1 30 11.983 0.661 8.141 1.00 0.00 C ATOM 434 CD GLU 1 30 12.764 0.566 9.453 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.129 0.203 10.467 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.978 0.860 9.413 1.00 0.00 O ATOM 0 H GLU 1 30 10.307 -2.453 9.404 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.612 0.299 8.643 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.882 -1.491 8.246 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.317 -0.826 6.727 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.656 0.947 7.333 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.228 1.443 8.219 1.00 0.00 H new ATOM 443 N CYS 1 31 8.850 -2.439 6.993 1.00 0.00 N ATOM 444 CA CYS 1 31 7.973 -2.986 5.972 1.00 0.00 C ATOM 445 C CYS 1 31 6.545 -2.522 6.268 1.00 0.00 C ATOM 446 O CYS 1 31 5.880 -1.956 5.402 1.00 0.00 O ATOM 447 CB CYS 1 31 8.073 -4.511 5.898 1.00 0.00 C ATOM 448 SG CYS 1 31 9.575 -5.141 5.062 1.00 0.00 S ATOM 0 H CYS 1 31 9.400 -3.133 7.500 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.278 -2.620 4.992 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.042 -4.913 6.911 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.196 -4.894 5.376 1.00 0.00 H new ATOM 453 N ASN 1 32 6.115 -2.779 7.495 1.00 0.00 N ATOM 454 CA ASN 1 32 4.779 -2.395 7.915 1.00 0.00 C ATOM 455 C ASN 1 32 4.675 -0.869 7.940 1.00 0.00 C ATOM 456 O ASN 1 32 3.599 -0.320 8.169 1.00 0.00 O ATOM 457 CB ASN 1 32 4.474 -2.914 9.321 1.00 0.00 C ATOM 458 CG ASN 1 32 3.744 -4.257 9.265 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.665 -4.430 9.809 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.390 -5.195 8.580 1.00 0.00 N ATOM 0 H ASN 1 32 6.669 -3.249 8.211 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.067 -2.824 7.210 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.403 -3.024 9.881 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.864 -2.187 9.856 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.986 -6.127 8.485 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.290 -4.983 8.149 1.00 0.00 H new ATOM 467 N ASN 1 33 5.810 -0.227 7.702 1.00 0.00 N ATOM 468 CA ASN 1 33 5.860 1.225 7.695 1.00 0.00 C ATOM 469 C ASN 1 33 5.824 1.724 6.248 1.00 0.00 C ATOM 470 O ASN 1 33 5.306 2.806 5.975 1.00 0.00 O ATOM 471 CB ASN 1 33 7.152 1.734 8.338 1.00 0.00 C ATOM 472 CG ASN 1 33 6.959 3.136 8.919 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.858 3.656 9.001 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.088 3.717 9.317 1.00 0.00 N ATOM 0 H ASN 1 33 6.701 -0.686 7.513 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.005 1.596 8.260 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.464 1.049 9.127 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.950 1.751 7.596 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.065 4.654 9.719 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.976 3.225 9.220 1.00 0.00 H new ATOM 481 N ARG 1 34 6.379 0.913 5.361 1.00 0.00 N ATOM 482 CA ARG 1 34 6.417 1.259 3.951 1.00 0.00 C ATOM 483 C ARG 1 34 5.093 0.891 3.278 1.00 0.00 C ATOM 484 O ARG 1 34 4.743 1.450 2.241 1.00 0.00 O ATOM 485 CB ARG 1 34 7.562 0.539 3.237 1.00 0.00 C ATOM 486 CG ARG 1 34 8.825 0.524 4.101 1.00 0.00 C ATOM 487 CD ARG 1 34 10.001 1.167 3.363 1.00 0.00 C ATOM 488 NE ARG 1 34 10.714 2.100 4.264 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.939 2.589 4.022 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.593 2.237 2.906 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.509 3.430 4.895 1.00 0.00 N ATOM 0 H ARG 1 34 6.807 0.016 5.592 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.579 2.334 3.878 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.264 -0.483 3.004 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.772 1.034 2.289 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.639 1.059 5.032 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.076 -0.503 4.367 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.685 0.395 3.010 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.641 1.701 2.484 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.245 2.389 5.122 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.159 1.597 2.241 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.525 2.609 2.722 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.011 3.698 5.744 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.441 3.802 4.711 1.00 0.00 H new ATOM 505 N GLY 1 35 4.393 -0.049 3.898 1.00 0.00 N ATOM 506 CA GLY 1 35 3.116 -0.499 3.372 1.00 0.00 C ATOM 507 C GLY 1 35 3.169 -1.981 2.995 1.00 0.00 C ATOM 508 O GLY 1 35 2.417 -2.433 2.133 1.00 0.00 O ATOM 0 H GLY 1 35 4.686 -0.510 4.759 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.335 -0.337 4.115 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.850 0.093 2.496 1.00 0.00 H new ATOM 512 N CYS 1 36 4.067 -2.695 3.659 1.00 0.00 N ATOM 513 CA CYS 1 36 4.228 -4.117 3.404 1.00 0.00 C ATOM 514 C CYS 1 36 3.913 -4.875 4.695 1.00 0.00 C ATOM 515 O CYS 1 36 3.577 -4.266 5.710 1.00 0.00 O ATOM 516 CB CYS 1 36 5.628 -4.442 2.878 1.00 0.00 C ATOM 517 SG CYS 1 36 6.195 -3.381 1.500 1.00 0.00 S ATOM 0 H CYS 1 36 4.690 -2.316 4.372 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.536 -4.430 2.622 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.339 -4.356 3.700 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.645 -5.481 2.549 1.00 0.00 H new ATOM 522 N CYS 1 37 4.032 -6.192 4.614 1.00 0.00 N ATOM 523 CA CYS 1 37 3.765 -7.040 5.764 1.00 0.00 C ATOM 524 C CYS 1 37 4.980 -7.942 5.989 1.00 0.00 C ATOM 525 O CYS 1 37 5.369 -8.698 5.100 1.00 0.00 O ATOM 526 CB CYS 1 37 2.478 -7.849 5.583 1.00 0.00 C ATOM 527 SG CYS 1 37 1.634 -8.305 7.142 1.00 0.00 S ATOM 0 H CYS 1 37 4.310 -6.693 3.770 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.606 -6.421 6.647 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.787 -7.274 4.967 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.712 -8.760 5.033 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.559 -8.983 6.871 1.00 0.00 H new ATOM 532 N PHE 1 38 5.545 -7.832 7.182 1.00 0.00 N ATOM 533 CA PHE 1 38 6.708 -8.629 7.536 1.00 0.00 C ATOM 534 C PHE 1 38 6.290 -9.979 8.124 1.00 0.00 C ATOM 535 O PHE 1 38 5.588 -10.030 9.133 1.00 0.00 O ATOM 536 CB PHE 1 38 7.484 -7.844 8.593 1.00 0.00 C ATOM 537 CG PHE 1 38 8.816 -8.483 8.990 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.929 -8.256 8.243 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.887 -9.278 10.092 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.165 -8.849 8.611 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.123 -9.871 10.461 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.236 -9.644 9.712 1.00 0.00 C ATOM 0 H PHE 1 38 5.219 -7.203 7.916 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.311 -8.821 6.648 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.673 -6.838 8.218 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.863 -7.741 9.483 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.873 -7.624 7.369 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.003 -9.458 10.686 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.049 -8.669 8.017 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.180 -10.502 11.336 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.176 -10.095 9.992 1.00 0.00 H new ATOM 552 N ASP 1 39 6.739 -11.039 7.468 1.00 0.00 N ATOM 553 CA ASP 1 39 6.421 -12.385 7.913 1.00 0.00 C ATOM 554 C ASP 1 39 7.493 -12.860 8.895 1.00 0.00 C ATOM 555 O ASP 1 39 7.322 -12.752 10.108 1.00 0.00 O ATOM 556 CB ASP 1 39 6.390 -13.362 6.736 1.00 0.00 C ATOM 557 CG ASP 1 39 6.206 -14.831 7.120 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.101 -15.156 7.607 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.173 -15.597 6.918 1.00 0.00 O ATOM 0 H ASP 1 39 7.321 -10.993 6.631 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.439 -12.360 8.386 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.581 -13.073 6.065 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.320 -13.262 6.176 1.00 0.00 H new ATOM 564 N SER 1 40 8.577 -13.375 8.334 1.00 0.00 N ATOM 565 CA SER 1 40 9.678 -13.867 9.145 1.00 0.00 C ATOM 566 C SER 1 40 9.466 -15.347 9.473 1.00 0.00 C ATOM 567 O SER 1 40 10.400 -16.036 9.877 1.00 0.00 O ATOM 568 CB SER 1 40 9.821 -13.052 10.432 1.00 0.00 C ATOM 569 OG SER 1 40 11.179 -12.948 10.849 1.00 0.00 O ATOM 0 H SER 1 40 8.717 -13.462 7.327 1.00 0.00 H new ATOM 0 HA SER 1 40 10.600 -13.757 8.574 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.412 -12.054 10.276 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.233 -13.517 11.223 1.00 0.00 H new ATOM 0 HG SER 1 40 11.461 -12.010 10.814 1.00 0.00 H new ATOM 575 N ARG 1 41 8.231 -15.790 9.288 1.00 0.00 N ATOM 576 CA ARG 1 41 7.884 -17.174 9.560 1.00 0.00 C ATOM 577 C ARG 1 41 8.676 -18.110 8.644 1.00 0.00 C ATOM 578 O ARG 1 41 9.173 -19.143 9.086 1.00 0.00 O ATOM 579 CB ARG 1 41 6.388 -17.417 9.356 1.00 0.00 C ATOM 580 CG ARG 1 41 5.557 -16.574 10.327 1.00 0.00 C ATOM 581 CD ARG 1 41 4.384 -17.380 10.887 1.00 0.00 C ATOM 582 NE ARG 1 41 4.887 -18.507 11.705 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.102 -19.421 12.290 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.771 -19.347 12.150 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.647 -20.408 13.013 1.00 0.00 N ATOM 0 H ARG 1 41 7.458 -15.215 8.953 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.135 -17.380 10.600 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.113 -17.173 8.330 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.164 -18.474 9.503 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.188 -16.227 11.145 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.182 -15.687 9.816 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.747 -16.736 11.493 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.770 -17.759 10.070 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.896 -18.593 11.831 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.357 -18.595 11.598 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.172 -20.042 12.595 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.660 -20.464 13.118 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.049 -21.104 13.458 1.00 0.00 H new ATOM 599 N ILE 1 42 8.767 -17.712 7.382 1.00 0.00 N ATOM 600 CA ILE 1 42 9.489 -18.502 6.400 1.00 0.00 C ATOM 601 C ILE 1 42 10.608 -17.654 5.793 1.00 0.00 C ATOM 602 O ILE 1 42 10.344 -16.720 5.038 1.00 0.00 O ATOM 603 CB ILE 1 42 8.524 -19.079 5.362 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.158 -19.371 5.987 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.121 -20.316 4.687 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.349 -20.332 5.113 1.00 0.00 C ATOM 0 H ILE 1 42 8.353 -16.854 7.019 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.961 -19.362 6.876 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.370 -18.330 4.585 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.293 -19.802 6.979 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.607 -18.440 6.116 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.415 -20.707 3.954 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.051 -20.045 4.187 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.323 -21.079 5.439 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.383 -20.523 5.580 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.195 -19.888 4.130 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.892 -21.271 5.006 1.00 0.00 H new ATOM 618 N PRO 1 43 11.868 -18.019 6.156 1.00 0.00 N ATOM 619 CA PRO 1 43 13.028 -17.302 5.656 1.00 0.00 C ATOM 620 C PRO 1 43 13.308 -17.662 4.195 1.00 0.00 C ATOM 621 O PRO 1 43 14.205 -17.096 3.574 1.00 0.00 O ATOM 622 CB PRO 1 43 14.162 -17.690 6.590 1.00 0.00 C ATOM 623 CG PRO 1 43 13.710 -18.959 7.292 1.00 0.00 C ATOM 624 CD PRO 1 43 12.218 -19.119 7.049 1.00 0.00 C ATOM 0 HA PRO 1 43 12.885 -16.221 5.651 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.085 -17.859 6.035 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.364 -16.897 7.310 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.254 -19.822 6.908 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.919 -18.900 8.360 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.992 -20.084 6.596 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.657 -19.066 7.982 1.00 0.00 H new ATOM 632 N GLY 1 44 12.521 -18.602 3.690 1.00 0.00 N ATOM 633 CA GLY 1 44 12.673 -19.044 2.315 1.00 0.00 C ATOM 634 C GLY 1 44 11.726 -18.282 1.386 1.00 0.00 C ATOM 635 O GLY 1 44 11.785 -18.439 0.167 1.00 0.00 O ATOM 0 H GLY 1 44 11.777 -19.069 4.209 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.703 -18.894 1.993 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.471 -20.113 2.249 1.00 0.00 H new ATOM 639 N VAL 1 45 10.874 -17.472 1.997 1.00 0.00 N ATOM 640 CA VAL 1 45 9.915 -16.686 1.241 1.00 0.00 C ATOM 641 C VAL 1 45 10.124 -15.201 1.549 1.00 0.00 C ATOM 642 O VAL 1 45 11.041 -14.839 2.284 1.00 0.00 O ATOM 643 CB VAL 1 45 8.493 -17.164 1.541 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.468 -18.668 1.820 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.884 -16.379 2.704 1.00 0.00 C ATOM 0 H VAL 1 45 10.828 -17.343 3.008 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.070 -16.822 0.171 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.883 -16.978 0.657 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.446 -18.982 2.030 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.841 -19.206 0.948 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.100 -18.889 2.680 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.873 -16.739 2.896 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.495 -16.518 3.596 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.850 -15.320 2.450 1.00 0.00 H new ATOM 655 N PRO 1 46 9.234 -14.360 0.955 1.00 0.00 N ATOM 656 CA PRO 1 46 9.312 -12.924 1.159 1.00 0.00 C ATOM 657 C PRO 1 46 8.802 -12.538 2.549 1.00 0.00 C ATOM 658 O PRO 1 46 7.629 -12.736 2.861 1.00 0.00 O ATOM 659 CB PRO 1 46 8.485 -12.322 0.035 1.00 0.00 C ATOM 660 CG PRO 1 46 7.598 -13.445 -0.478 1.00 0.00 C ATOM 661 CD PRO 1 46 8.136 -14.754 0.079 1.00 0.00 C ATOM 0 HA PRO 1 46 10.335 -12.550 1.128 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.887 -11.485 0.395 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.126 -11.937 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.566 -13.291 -0.163 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.599 -13.465 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.367 -15.297 0.628 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.482 -15.411 -0.719 1.00 0.00 H new ATOM 669 N TRP 1 47 9.709 -11.995 3.347 1.00 0.00 N ATOM 670 CA TRP 1 47 9.366 -11.580 4.697 1.00 0.00 C ATOM 671 C TRP 1 47 8.928 -10.115 4.644 1.00 0.00 C ATOM 672 O TRP 1 47 9.098 -9.377 5.613 1.00 0.00 O ATOM 673 CB TRP 1 47 10.531 -11.821 5.658 1.00 0.00 C ATOM 674 CG TRP 1 47 11.679 -12.635 5.054 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.775 -13.967 4.942 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.894 -12.112 4.480 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.960 -14.339 4.341 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.662 -13.175 4.050 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.331 -10.784 4.328 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.913 -13.021 3.441 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.584 -10.647 3.716 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.369 -11.707 3.280 1.00 0.00 C ATOM 0 H TRP 1 47 10.681 -11.833 3.085 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.541 -12.177 5.086 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.918 -10.858 5.992 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.158 -12.338 6.542 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.020 -14.662 5.280 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.265 -15.293 4.146 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.747 -9.937 4.657 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.495 -13.870 3.113 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.966 -9.647 3.573 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.327 -11.518 2.819 1.00 0.00 H new ATOM 693 N CYS 1 48 8.372 -9.737 3.502 1.00 0.00 N ATOM 694 CA CYS 1 48 7.908 -8.374 3.310 1.00 0.00 C ATOM 695 C CYS 1 48 7.129 -8.313 1.995 1.00 0.00 C ATOM 696 O CYS 1 48 7.711 -8.434 0.918 1.00 0.00 O ATOM 697 CB CYS 1 48 9.064 -7.374 3.336 1.00 0.00 C ATOM 698 SG CYS 1 48 8.561 -5.615 3.286 1.00 0.00 S ATOM 0 H CYS 1 48 8.233 -10.352 2.700 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.252 -8.091 4.133 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.652 -7.543 4.238 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.718 -7.574 2.487 1.00 0.00 H new ATOM 703 N PHE 1 49 5.823 -8.124 2.125 1.00 0.00 N ATOM 704 CA PHE 1 49 4.959 -8.045 0.960 1.00 0.00 C ATOM 705 C PHE 1 49 3.776 -7.109 1.217 1.00 0.00 C ATOM 706 O PHE 1 49 3.751 -6.397 2.220 1.00 0.00 O ATOM 707 CB PHE 1 49 4.431 -9.456 0.697 1.00 0.00 C ATOM 708 CG PHE 1 49 4.289 -10.311 1.959 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.398 -10.784 2.587 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.054 -10.599 2.450 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.267 -11.578 3.758 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.923 -11.392 3.621 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.032 -11.865 4.249 1.00 0.00 C ATOM 0 H PHE 1 49 5.343 -8.023 3.019 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.517 -7.655 0.109 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.460 -9.384 0.207 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.102 -9.961 0.002 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.379 -10.556 2.196 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.173 -10.225 1.950 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.148 -11.953 4.258 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.942 -11.619 4.012 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.932 -12.469 5.139 1.00 0.00 H new ATOM 723 N LYS 1 50 2.826 -7.141 0.295 1.00 0.00 N ATOM 724 CA LYS 1 50 1.642 -6.305 0.409 1.00 0.00 C ATOM 725 C LYS 1 50 0.398 -7.194 0.454 1.00 0.00 C ATOM 726 O LYS 1 50 -0.368 -7.245 -0.507 1.00 0.00 O ATOM 727 CB LYS 1 50 1.613 -5.262 -0.709 1.00 0.00 C ATOM 728 CG LYS 1 50 2.538 -5.666 -1.860 1.00 0.00 C ATOM 729 CD LYS 1 50 3.949 -5.114 -1.649 1.00 0.00 C ATOM 730 CE LYS 1 50 3.914 -3.608 -1.379 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.858 -2.960 -2.189 1.00 0.00 N ATOM 0 H LYS 1 50 2.851 -7.733 -0.535 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.663 -5.739 1.340 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.594 -5.149 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.919 -4.293 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.576 -6.753 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.135 -5.294 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.422 -5.626 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.558 -5.315 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.731 -3.427 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.883 -3.168 -1.615 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.131 -1.977 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.738 -3.479 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.962 -2.968 -1.661 1.00 0.00 H new ATOM 745 N PRO 1 51 0.230 -7.890 1.610 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.909 -8.774 1.792 1.00 0.00 C ATOM 747 C PRO 1 51 -2.189 -7.974 2.047 1.00 0.00 C ATOM 748 O PRO 1 51 -2.781 -7.431 1.116 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.528 -9.671 2.958 1.00 0.00 C ATOM 750 CG PRO 1 51 0.604 -8.958 3.681 1.00 0.00 C ATOM 751 CD PRO 1 51 1.116 -7.854 2.770 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.127 -9.368 0.904 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.377 -9.829 3.623 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.210 -10.653 2.608 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.252 -8.542 4.625 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.405 -9.658 3.920 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.081 -6.884 3.265 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.153 -8.027 2.482 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.577 -7.927 3.314 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.775 -7.202 3.702 1.00 0.00 C ATOM 761 C LEU 1 52 -3.399 -5.767 4.074 1.00 0.00 C ATOM 762 O LEU 1 52 -3.999 -5.177 4.972 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.517 -7.951 4.812 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.083 -7.631 6.243 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.154 -6.815 6.971 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.718 -8.907 7.004 1.00 0.00 C ATOM 0 H LEU 1 52 -2.083 -8.379 4.084 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.473 -7.143 2.867 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.581 -7.735 4.720 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.393 -9.021 4.647 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.184 -7.016 6.198 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.821 -6.601 7.986 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.322 -5.879 6.439 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -6.083 -7.384 7.007 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.413 -8.651 8.019 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.583 -9.569 7.041 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.897 -9.412 6.495 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.410 -5.245 3.364 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.947 -3.890 3.608 1.00 0.00 C ATOM 780 C GLN 1 53 -3.125 -2.914 3.581 1.00 0.00 C ATOM 781 O GLN 1 53 -3.029 -1.804 4.101 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.877 -3.485 2.593 1.00 0.00 C ATOM 783 CG GLN 1 53 0.342 -4.405 2.684 1.00 0.00 C ATOM 784 CD GLN 1 53 0.931 -4.397 4.096 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.730 -3.550 4.458 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.494 -5.387 4.870 1.00 0.00 N ATOM 0 H GLN 1 53 -1.916 -5.737 2.619 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.493 -3.855 4.598 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.292 -3.525 1.586 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.573 -2.454 2.772 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.056 -5.421 2.411 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.099 -4.083 1.969 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.176 -6.063 4.504 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.829 -5.470 5.830 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.211 -3.364 2.969 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.406 -2.544 2.867 1.00 0.00 C ATOM 797 C GLU 1 54 -5.651 -1.797 4.179 1.00 0.00 C ATOM 798 O GLU 1 54 -6.264 -0.730 4.186 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.622 -3.393 2.484 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.312 -3.955 3.729 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.421 -3.018 4.211 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.376 -2.820 3.431 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.288 -2.520 5.351 1.00 0.00 O ATOM 0 H GLU 1 54 -4.288 -4.286 2.539 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.253 -1.809 2.077 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.328 -2.788 1.915 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.309 -4.212 1.836 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.731 -4.936 3.505 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.579 -4.096 4.523 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.160 -2.386 5.259 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.318 -1.789 6.575 1.00 0.00 C ATOM 812 C ALA 1 55 -5.172 -0.270 6.462 1.00 0.00 C ATOM 813 O ALA 1 55 -6.159 0.459 6.552 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.299 -2.402 7.539 1.00 0.00 C ATOM 0 H ALA 1 55 -4.652 -3.271 5.250 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.311 -1.996 6.974 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.417 -1.955 8.526 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.463 -3.478 7.606 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.290 -2.211 7.172 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.934 0.161 6.266 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.648 1.580 6.139 1.00 0.00 C ATOM 822 C GLU 1 56 -2.916 1.858 4.824 1.00 0.00 C ATOM 823 O GLU 1 56 -2.185 2.841 4.713 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.838 2.084 7.335 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.594 1.858 8.645 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.633 1.495 9.778 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.308 0.292 9.883 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.245 2.427 10.514 1.00 0.00 O ATOM 0 H GLU 1 56 -3.118 -0.447 6.192 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.593 2.123 6.127 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.878 1.569 7.372 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.625 3.146 7.213 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.149 2.758 8.909 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.325 1.060 8.514 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.140 0.976 3.862 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.511 1.115 2.559 1.00 0.00 C ATOM 837 C CYS 1 57 -3.559 1.635 1.573 1.00 0.00 C ATOM 838 O CYS 1 57 -3.427 2.739 1.047 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.889 -0.202 2.089 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.665 -0.033 0.737 1.00 0.00 S ATOM 0 H CYS 1 57 -3.748 0.163 3.958 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.689 1.828 2.623 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.406 -0.684 2.939 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.687 -0.866 1.757 1.00 0.00 H new ATOM 845 N THR 1 58 -4.576 0.816 1.352 1.00 0.00 N ATOM 846 CA THR 1 58 -5.645 1.180 0.439 1.00 0.00 C ATOM 847 C THR 1 58 -6.356 2.445 0.926 1.00 0.00 C ATOM 848 O THR 1 58 -6.890 3.209 0.125 1.00 0.00 O ATOM 849 CB THR 1 58 -6.578 -0.025 0.297 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.063 0.066 -1.039 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.835 0.104 1.160 1.00 0.00 C ATOM 0 H THR 1 58 -4.682 -0.099 1.790 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.254 1.425 -0.549 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.041 -0.934 0.570 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.219 1.006 -1.267 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.463 -0.776 1.022 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.549 0.186 2.209 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.389 0.995 0.864 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.340 2.625 2.239 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.977 3.783 2.843 1.00 0.00 C ATOM 861 C PHE 1 59 -6.893 5.000 1.918 1.00 0.00 C ATOM 862 O PHE 1 59 -6.686 6.121 2.378 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.216 4.088 4.135 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.116 4.268 5.359 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.558 3.180 6.045 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.475 5.516 5.762 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.394 3.347 7.180 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.311 5.684 6.897 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.753 4.595 7.583 1.00 0.00 C ATOM 0 H PHE 1 59 -5.896 1.988 2.901 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.030 3.573 3.030 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.512 3.279 4.330 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.628 4.995 3.993 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.273 2.188 5.726 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -7.124 6.380 5.218 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -8.745 2.482 7.724 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.596 6.676 7.216 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.389 4.722 8.447 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.601 15.226 0.307 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.299 14.126 0.949 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.350 12.933 1.080 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.786 11.817 1.363 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.506 13.682 0.120 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.556 12.875 0.887 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.989 13.372 1.950 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.900 11.779 0.395 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.639 14.466 1.927 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.985 14.567 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.151 13.083 -0.719 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.071 13.208 0.868 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.058 12.171 0.960 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.494 12.103 2.381 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.806 12.949 3.217 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.915 12.431 -0.023 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.454 12.752 -1.419 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.640 13.867 -2.078 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.987 13.966 -3.514 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.219 14.568 -4.433 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.057 15.129 -4.070 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.614 14.609 -5.712 1.00 0.00 N ATOM 0 H ARG 2 18 -6.714 14.134 0.633 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.531 11.222 0.708 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.305 13.260 0.335 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.267 11.556 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.421 11.857 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.499 13.053 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.839 14.816 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.575 13.666 -1.966 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.865 13.550 -3.823 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.758 15.098 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.472 15.587 -4.768 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.499 14.182 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.030 15.067 -6.412 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.673 11.088 2.609 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.063 10.900 3.914 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.627 11.427 3.883 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.826 11.110 4.761 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.151 9.428 4.325 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.933 9.265 5.830 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.486 8.817 3.895 1.00 0.00 C ATOM 0 H VAL 2 19 -4.416 10.388 1.913 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.601 11.469 4.672 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.355 8.889 3.811 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.001 8.210 6.095 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.947 9.644 6.098 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.696 9.825 6.371 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.522 7.771 4.199 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.304 9.361 4.367 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.584 8.883 2.811 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.346 12.223 2.861 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.020 12.797 2.703 1.00 0.00 C ATOM 1161 C ASP 2 20 0.026 11.801 3.208 1.00 0.00 C ATOM 1162 O ASP 2 20 0.470 11.887 4.352 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.878 14.084 3.518 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.552 14.424 3.944 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.302 14.915 3.072 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.862 14.187 5.131 1.00 0.00 O ATOM 0 H ASP 2 20 -3.013 12.484 2.135 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.872 13.020 1.646 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.273 14.913 2.932 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.497 14.001 4.411 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.390 10.877 2.330 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.375 9.866 2.671 1.00 0.00 C ATOM 1173 C CYS 2 21 2.591 10.567 3.279 1.00 0.00 C ATOM 1174 O CYS 2 21 3.240 10.028 4.175 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.755 9.013 1.458 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.941 7.226 1.805 1.00 0.00 S ATOM 0 H CYS 2 21 0.019 10.808 1.382 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.953 9.175 3.400 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.994 9.142 0.688 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.692 9.388 1.047 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.865 11.758 2.768 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.993 12.538 3.250 1.00 0.00 C ATOM 1183 C GLY 2 22 5.252 11.675 3.355 1.00 0.00 C ATOM 1184 O GLY 2 22 5.802 11.504 4.441 1.00 0.00 O ATOM 0 H GLY 2 22 2.326 12.202 2.025 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.176 13.374 2.575 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.756 12.962 4.226 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.670 11.155 2.210 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.855 10.313 2.160 1.00 0.00 C ATOM 1190 C TYR 2 23 8.106 11.146 1.874 1.00 0.00 C ATOM 1191 O TYR 2 23 8.052 12.116 1.120 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.630 9.339 1.001 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.424 7.888 1.441 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.514 7.068 1.648 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.147 7.400 1.630 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.320 5.703 2.061 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.953 6.034 2.044 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.049 5.253 2.238 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.865 3.963 2.630 1.00 0.00 O ATOM 0 H TYR 2 23 5.211 11.300 1.311 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.006 9.804 3.112 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.759 9.663 0.431 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.486 9.386 0.328 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.513 7.450 1.500 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.294 8.042 1.468 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.165 5.051 2.227 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 3.959 5.639 2.197 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.101 3.581 2.150 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.233 10.725 2.509 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.496 11.420 2.332 1.00 0.00 C ATOM 1211 C PRO 2 24 11.107 11.107 0.964 1.00 0.00 C ATOM 1212 O PRO 2 24 12.102 11.714 0.571 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.366 10.960 3.490 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.728 9.680 4.007 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.334 9.580 3.409 1.00 0.00 C ATOM 0 HA PRO 2 24 10.384 12.504 2.343 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.390 10.781 3.162 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.409 11.718 4.272 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.327 8.814 3.726 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.676 9.692 5.096 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.200 8.641 2.872 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.568 9.616 4.183 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.487 10.158 0.278 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.957 9.756 -1.036 1.00 0.00 C ATOM 1225 C HIS 2 25 9.847 9.971 -2.067 1.00 0.00 C ATOM 1226 O HIS 2 25 9.955 9.516 -3.205 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.473 8.316 -1.012 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.934 8.192 -0.651 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.376 8.074 0.656 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.047 8.167 -1.437 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.698 7.985 0.644 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.112 8.044 -0.654 1.00 0.00 N ATOM 0 H HIS 2 25 9.663 9.656 0.608 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.802 10.378 -1.329 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.883 7.742 -0.298 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.312 7.867 -1.992 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.060 8.236 -2.515 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.335 7.884 1.510 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.081 8.001 -0.971 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.805 10.664 -1.630 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.676 10.945 -2.501 1.00 0.00 C ATOM 1243 C VAL 2 26 8.183 11.181 -3.925 1.00 0.00 C ATOM 1244 O VAL 2 26 9.016 12.057 -4.156 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.871 12.123 -1.950 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.793 13.270 -1.532 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.830 12.599 -2.966 1.00 0.00 C ATOM 0 H VAL 2 26 8.719 11.039 -0.685 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.998 10.093 -2.535 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.340 11.779 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.195 14.095 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.478 12.923 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.364 13.611 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.272 13.437 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.332 12.916 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.144 11.783 -3.193 1.00 0.00 H new ATOM 1257 N THR 2 27 7.658 10.385 -4.845 1.00 0.00 N ATOM 1258 CA THR 2 27 8.046 10.496 -6.241 1.00 0.00 C ATOM 1259 C THR 2 27 7.082 9.704 -7.127 1.00 0.00 C ATOM 1260 O THR 2 27 6.457 8.747 -6.672 1.00 0.00 O ATOM 1261 CB THR 2 27 9.501 10.038 -6.365 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.191 11.196 -6.828 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.699 9.014 -7.485 1.00 0.00 C ATOM 0 H THR 2 27 6.967 9.660 -4.651 1.00 0.00 H new ATOM 0 HA THR 2 27 7.984 11.527 -6.588 1.00 0.00 H new ATOM 0 HB THR 2 27 9.828 9.608 -5.418 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.119 11.909 -6.159 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.748 8.722 -7.530 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.086 8.135 -7.287 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.404 9.455 -8.437 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.989 10.144 -8.411 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.112 9.487 -9.365 1.00 0.00 C ATOM 1273 C PRO 2 28 6.705 8.155 -9.828 1.00 0.00 C ATOM 1274 O PRO 2 28 6.768 7.883 -11.026 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.943 10.487 -10.497 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.094 11.472 -10.359 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.714 11.274 -8.985 1.00 0.00 C ATOM 0 HA PRO 2 28 5.145 9.224 -8.936 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.970 9.988 -11.466 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.982 10.997 -10.427 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.835 11.305 -11.140 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.737 12.495 -10.473 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.781 11.064 -9.059 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.607 12.167 -8.370 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.124 7.361 -8.855 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.710 6.063 -9.147 1.00 0.00 C ATOM 1287 C LYS 2 29 8.054 5.355 -7.835 1.00 0.00 C ATOM 1288 O LYS 2 29 8.240 4.140 -7.811 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.902 6.215 -10.093 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.074 4.967 -10.963 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.540 5.340 -12.372 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.935 4.094 -13.166 1.00 0.00 C ATOM 1293 NZ LYS 2 29 10.800 4.461 -14.310 1.00 0.00 N ATOM 0 H LYS 2 29 7.070 7.591 -7.863 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.993 5.431 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.757 7.089 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.810 6.388 -9.515 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.799 4.295 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.129 4.426 -11.020 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.744 5.871 -12.894 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.389 6.020 -12.310 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.459 3.393 -12.517 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.040 3.587 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 11.059 3.604 -14.838 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 10.287 5.113 -14.938 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 11.662 4.925 -13.959 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.126 6.147 -6.774 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.443 5.611 -5.462 1.00 0.00 C ATOM 1309 C GLU 2 30 7.167 5.438 -4.636 1.00 0.00 C ATOM 1310 O GLU 2 30 6.977 4.409 -3.989 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.450 6.505 -4.733 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.858 5.909 -4.796 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.639 6.472 -5.986 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.270 6.116 -7.126 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.586 7.245 -5.728 1.00 0.00 O ATOM 0 H GLU 2 30 7.970 7.155 -6.797 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.903 4.632 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.451 7.498 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.148 6.625 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.391 6.127 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.794 4.824 -4.879 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.325 6.459 -4.686 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.072 6.433 -3.951 1.00 0.00 C ATOM 1324 C CYS 2 31 4.295 5.184 -4.372 1.00 0.00 C ATOM 1325 O CYS 2 31 3.913 4.373 -3.530 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.260 7.711 -4.170 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.891 9.182 -3.283 1.00 0.00 S ATOM 0 H CYS 2 31 6.486 7.310 -5.224 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.276 6.390 -2.881 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.235 7.931 -5.237 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.232 7.529 -3.858 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.083 5.069 -5.675 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.358 3.933 -6.218 1.00 0.00 C ATOM 1334 C ASN 2 32 4.125 2.646 -5.903 1.00 0.00 C ATOM 1335 O ASN 2 32 3.593 1.548 -6.060 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.221 4.042 -7.737 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.914 4.738 -8.122 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.144 4.263 -8.939 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.709 5.891 -7.489 1.00 0.00 N ATOM 0 H ASN 2 32 4.401 5.744 -6.370 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.366 3.919 -5.767 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.066 4.598 -8.143 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.251 3.047 -8.181 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.866 6.433 -7.677 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.395 6.232 -6.816 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.362 2.825 -5.464 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.207 1.693 -5.126 1.00 0.00 C ATOM 1348 C ASN 2 33 6.091 1.404 -3.628 1.00 0.00 C ATOM 1349 O ASN 2 33 6.265 0.266 -3.196 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.675 1.989 -5.439 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.471 0.693 -5.611 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.931 -0.401 -5.619 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.781 0.877 -5.747 1.00 0.00 N ATOM 0 H ASN 2 33 5.799 3.737 -5.335 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.878 0.838 -5.717 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.743 2.586 -6.349 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.109 2.583 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.399 0.074 -5.867 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.168 1.821 -5.731 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.799 2.456 -2.877 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.657 2.330 -1.436 1.00 0.00 C ATOM 1362 C ARG 2 34 4.219 1.957 -1.074 1.00 0.00 C ATOM 1363 O ARG 2 34 3.972 1.365 -0.025 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.032 3.635 -0.730 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.248 4.287 -1.391 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.322 4.622 -0.354 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.664 4.321 -0.901 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.813 4.639 -0.288 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.790 5.266 0.895 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.985 4.327 -0.858 1.00 0.00 N ATOM 0 H ARG 2 34 5.657 3.399 -3.239 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.334 1.543 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.187 4.323 -0.757 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.248 3.436 0.320 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.661 3.615 -2.144 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.941 5.196 -1.909 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.259 5.675 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.153 4.046 0.556 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.718 3.842 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.898 5.502 1.330 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.664 5.508 1.361 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.003 3.848 -1.758 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.859 4.569 -0.392 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.306 2.318 -1.965 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.898 2.029 -1.751 1.00 0.00 C ATOM 1386 C GLY 2 35 1.079 3.319 -1.672 1.00 0.00 C ATOM 1387 O GLY 2 35 0.003 3.340 -1.076 1.00 0.00 O ATOM 0 H GLY 2 35 3.514 2.807 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.524 1.406 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.776 1.460 -0.830 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.619 4.363 -2.282 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.952 5.654 -2.288 1.00 0.00 C ATOM 1393 C CYS 2 36 0.723 6.071 -3.742 1.00 0.00 C ATOM 1394 O CYS 2 36 1.245 5.440 -4.661 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.747 6.706 -1.511 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.198 6.221 0.195 1.00 0.00 S ATOM 0 H CYS 2 36 2.511 4.342 -2.776 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.009 5.571 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.659 6.932 -2.063 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.163 7.625 -1.470 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.055 7.130 -3.906 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.358 7.638 -5.233 1.00 0.00 C ATOM 1403 C CYS 2 37 0.228 9.046 -5.354 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.014 9.899 -4.501 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.862 7.619 -5.516 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.309 7.450 -7.282 1.00 0.00 S ATOM 0 H CYS 2 37 -0.485 7.651 -3.142 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.095 6.992 -5.985 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.311 6.795 -4.962 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.301 8.539 -5.131 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.603 7.443 -7.403 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.987 9.247 -6.421 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.610 10.536 -6.664 1.00 0.00 C ATOM 1413 C PHE 2 38 0.766 11.381 -7.621 1.00 0.00 C ATOM 1414 O PHE 2 38 0.546 10.993 -8.768 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.970 10.263 -7.309 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.869 11.496 -7.412 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.663 11.849 -6.366 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.876 12.239 -8.551 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.498 12.993 -6.461 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.711 13.384 -8.648 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.504 13.737 -7.600 1.00 0.00 C ATOM 0 H PHE 2 38 1.185 8.538 -7.127 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.707 11.084 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.487 9.496 -6.732 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.812 9.857 -8.308 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.658 11.258 -5.462 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.246 11.958 -9.382 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.128 13.273 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.716 13.974 -9.553 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.138 14.608 -7.672 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.316 12.519 -7.114 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.500 13.421 -7.910 1.00 0.00 C ATOM 1433 C ASP 2 39 0.411 14.324 -8.744 1.00 0.00 C ATOM 1434 O ASP 2 39 0.623 14.073 -9.930 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.362 14.316 -7.017 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.227 15.334 -7.764 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.154 14.881 -8.471 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.942 16.541 -7.612 1.00 0.00 O ATOM 0 H ASP 2 39 0.501 12.837 -6.163 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.146 12.817 -8.548 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.012 13.683 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.710 14.852 -6.328 1.00 0.00 H new ATOM 1443 N SER 2 40 0.926 15.356 -8.092 1.00 0.00 N ATOM 1444 CA SER 2 40 1.809 16.297 -8.759 1.00 0.00 C ATOM 1445 C SER 2 40 0.989 17.395 -9.438 1.00 0.00 C ATOM 1446 O SER 2 40 1.527 18.435 -9.815 1.00 0.00 O ATOM 1447 CB SER 2 40 2.698 15.589 -9.784 1.00 0.00 C ATOM 1448 OG SER 2 40 4.005 16.152 -9.838 1.00 0.00 O ATOM 0 H SER 2 40 0.749 15.561 -7.109 1.00 0.00 H new ATOM 0 HA SER 2 40 2.456 16.748 -8.007 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.769 14.531 -9.532 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.236 15.652 -10.769 1.00 0.00 H new ATOM 0 HG SER 2 40 4.620 15.601 -9.310 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.302 17.127 -9.573 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.202 18.079 -10.200 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.337 19.333 -9.334 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.362 20.449 -9.851 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.588 17.466 -10.416 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.493 16.160 -11.207 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.635 16.048 -12.219 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.459 17.050 -13.294 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -2.704 16.857 -14.385 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -2.051 15.699 -14.551 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.603 17.822 -15.308 1.00 0.00 N ATOM 0 H ARG 2 41 -0.746 16.264 -9.259 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.779 18.346 -11.168 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.061 17.278 -9.452 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.223 18.173 -10.950 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.536 16.114 -11.727 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.525 15.313 -10.522 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.657 15.045 -12.645 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.591 16.203 -11.719 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.942 17.943 -13.199 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -2.128 14.965 -13.847 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -1.477 15.552 -15.381 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.100 18.703 -15.181 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -2.029 17.676 -16.138 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.419 19.107 -8.030 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.550 20.204 -7.087 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.388 20.157 -6.092 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.341 19.281 -5.230 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.929 20.181 -6.425 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.992 19.655 -7.392 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.293 21.558 -5.866 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.400 19.956 -6.874 1.00 0.00 C ATOM 0 H ILE 2 42 -1.397 18.180 -7.605 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.488 21.161 -7.605 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.891 19.492 -5.581 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.856 20.112 -8.372 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.870 18.580 -7.522 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.278 21.513 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.554 21.856 -5.122 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.307 22.287 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.137 19.572 -7.579 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.541 19.477 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.526 21.033 -6.768 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.543 21.135 -6.249 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.701 21.213 -5.374 1.00 0.00 C ATOM 1499 C PRO 2 43 1.312 21.756 -3.997 1.00 0.00 C ATOM 1500 O PRO 2 43 2.146 21.826 -3.096 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.688 22.106 -6.107 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.874 22.868 -7.140 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.519 22.189 -7.259 1.00 0.00 C ATOM 0 HA PRO 2 43 2.142 20.237 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.182 22.790 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.469 21.515 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.754 23.909 -6.840 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.385 22.871 -8.103 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.294 22.892 -7.078 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.368 21.778 -8.257 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.045 22.125 -3.878 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.464 22.659 -2.627 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.073 21.551 -1.765 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.435 21.783 -0.613 1.00 0.00 O ATOM 0 H GLY 2 44 -0.644 22.065 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.343 23.147 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.217 23.420 -2.832 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.164 20.369 -2.356 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.722 19.223 -1.657 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.678 18.107 -1.601 1.00 0.00 C ATOM 1521 O VAL 2 45 0.450 18.283 -2.061 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.028 18.787 -2.324 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.789 19.993 -2.878 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.764 17.754 -3.420 1.00 0.00 C ATOM 0 H VAL 2 45 -0.861 20.180 -3.311 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.971 19.487 -0.629 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.653 18.317 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.713 19.656 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.024 20.680 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.172 20.504 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.708 17.460 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.112 18.187 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.284 16.877 -2.986 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.100 16.952 -1.019 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.214 15.807 -0.897 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.039 15.105 -2.245 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.001 14.585 -2.808 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.859 14.921 0.156 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.308 15.369 0.247 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.427 16.708 -0.463 1.00 0.00 C ATOM 0 HA PRO 2 46 0.796 16.086 -0.598 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.792 13.870 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.356 15.027 1.117 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.965 14.632 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.615 15.461 1.289 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.184 16.675 -1.246 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.718 17.499 0.229 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.197 15.110 -2.722 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.512 14.480 -3.993 1.00 0.00 C ATOM 1550 C TRP 2 47 1.922 13.032 -3.714 1.00 0.00 C ATOM 1551 O TRP 2 47 2.708 12.451 -4.459 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.583 15.269 -4.747 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.892 16.638 -4.138 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.144 17.750 -4.186 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.067 16.998 -3.383 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.750 18.795 -3.518 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.957 18.324 -3.014 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.188 16.228 -3.021 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.932 18.996 -2.268 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.153 16.915 -2.275 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.056 18.249 -1.897 1.00 0.00 C ATOM 0 H TRP 2 47 1.993 15.541 -2.251 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.640 14.476 -4.647 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.500 14.680 -4.776 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.259 15.406 -5.779 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.188 17.819 -4.684 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.380 19.740 -3.413 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.295 15.189 -3.297 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.823 20.035 -1.993 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.035 16.370 -1.972 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.845 18.707 -1.319 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.369 12.491 -2.638 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.667 11.123 -2.252 1.00 0.00 C ATOM 1574 C CYS 2 48 0.694 10.714 -1.143 1.00 0.00 C ATOM 1575 O CYS 2 48 0.816 11.171 -0.007 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.126 10.963 -1.819 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.703 9.231 -1.695 1.00 0.00 S ATOM 0 H CYS 2 48 0.716 12.976 -2.022 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.537 10.463 -3.110 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.761 11.493 -2.529 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.258 11.446 -0.851 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.247 9.860 -1.511 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.240 9.384 -0.562 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.644 7.940 -0.869 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.998 7.267 -1.671 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.467 10.287 -0.708 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.661 10.848 -2.118 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.791 11.772 -2.608 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.705 10.426 -2.880 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.972 12.294 -3.916 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.886 10.947 -4.188 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -3.015 11.871 -4.679 1.00 0.00 C ATOM 0 H PHE 2 49 -0.344 9.484 -2.454 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.832 9.412 0.449 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.356 9.723 -0.427 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.381 11.117 -0.006 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.963 12.108 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.397 9.694 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.281 13.027 -4.305 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.715 10.610 -4.794 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.152 12.268 -5.674 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.711 7.507 -0.213 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.209 6.155 -0.406 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.657 6.216 -0.900 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.581 5.872 -0.166 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.030 5.332 0.871 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.592 6.218 2.039 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.073 6.403 2.048 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.356 5.053 1.973 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.040 4.055 2.825 1.00 0.00 N ATOM 0 H LYS 2 50 -3.244 8.068 0.452 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.630 5.641 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.966 4.833 1.120 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.287 4.552 0.704 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.080 7.190 1.966 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.913 5.771 2.980 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.774 7.025 1.204 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.772 6.929 2.954 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.333 4.704 0.941 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.679 5.166 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.382 3.282 3.052 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.357 4.509 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.863 3.671 2.318 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.810 6.667 -2.173 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.129 6.776 -2.775 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.672 5.399 -3.161 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.247 4.700 -2.329 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.941 7.697 -3.969 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.450 7.697 -4.266 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.738 7.084 -3.072 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.872 7.182 -2.089 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.510 7.343 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.294 8.704 -3.745 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.241 7.125 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.096 8.713 -4.442 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.121 6.237 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.077 7.806 -2.592 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.469 5.051 -4.423 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.932 3.770 -4.929 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.761 2.785 -4.953 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.612 2.016 -5.902 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.616 3.946 -6.286 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.706 3.856 -7.513 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.046 2.628 -8.359 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.761 5.148 -8.331 1.00 0.00 C ATOM 0 H LEU 2 52 -5.990 5.633 -5.110 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.690 3.350 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.394 3.188 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.113 4.916 -6.297 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.679 3.735 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.385 2.588 -9.225 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.915 1.726 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.081 2.693 -8.696 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.106 5.058 -9.197 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.783 5.323 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.433 5.984 -7.713 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.960 2.840 -3.900 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.808 1.962 -3.788 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.243 0.498 -3.892 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.411 -0.391 -4.064 1.00 0.00 O ATOM 1661 CB GLN 2 53 -3.048 2.216 -2.485 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.580 3.670 -2.398 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.699 4.034 -3.595 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.491 3.862 -3.584 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.366 4.546 -4.624 1.00 0.00 N ATOM 0 H GLN 2 53 -5.086 3.480 -3.116 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.130 2.179 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.690 1.985 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.188 1.549 -2.426 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.445 4.333 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -2.024 3.822 -1.473 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.378 4.664 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.866 4.821 -5.469 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.548 0.294 -3.782 1.00 0.00 N ATOM 1675 CA GLU 2 54 -6.104 -1.046 -3.861 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.600 -1.758 -5.119 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.675 -2.981 -5.217 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.634 -1.008 -3.830 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.183 -0.109 -4.941 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.818 -0.942 -6.056 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.138 -1.884 -6.518 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.968 -0.617 -6.422 1.00 0.00 O ATOM 0 H GLU 2 54 -6.236 1.034 -3.639 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.769 -1.608 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -8.029 -2.017 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.973 -0.642 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.923 0.576 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.378 0.501 -5.351 1.00 0.00 H new ATOM 1689 N ALA 2 55 -5.097 -0.959 -6.050 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.580 -1.497 -7.297 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.947 -2.864 -7.033 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.459 -3.887 -7.486 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.591 -0.504 -7.909 1.00 0.00 C ATOM 0 H ALA 2 55 -5.037 0.056 -5.965 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.385 -1.641 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.203 -0.907 -8.844 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.098 0.441 -8.104 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.767 -0.338 -7.216 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.842 -2.839 -6.303 1.00 0.00 N ATOM 1700 CA GLU 2 56 -2.134 -4.064 -5.975 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.659 -4.029 -4.521 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.864 -4.870 -4.103 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.959 -4.291 -6.929 1.00 0.00 C ATOM 1704 CG GLU 2 56 -1.446 -4.816 -8.281 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.272 -5.292 -9.140 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.416 -4.411 -9.698 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.089 -6.526 -9.217 1.00 0.00 O ATOM 0 H GLU 2 56 -2.420 -1.989 -5.929 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.822 -4.901 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.416 -3.357 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 -0.260 -5.002 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -2.144 -5.638 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.990 -4.031 -8.806 1.00 0.00 H new ATOM 1714 N CYS 2 57 -2.166 -3.047 -3.789 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.805 -2.892 -2.391 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.783 -3.710 -1.546 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.379 -4.634 -0.842 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.783 -1.421 -1.972 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.532 -1.001 -0.704 1.00 0.00 S ATOM 0 H CYS 2 57 -2.824 -2.351 -4.139 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.792 -3.263 -2.233 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.603 -0.809 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.769 -1.151 -1.593 1.00 0.00 H new ATOM 1724 N THR 2 58 -4.052 -3.343 -1.646 1.00 0.00 N ATOM 1725 CA THR 2 58 -5.092 -4.031 -0.901 1.00 0.00 C ATOM 1726 C THR 2 58 -5.157 -5.504 -1.313 1.00 0.00 C ATOM 1727 O THR 2 58 -5.595 -6.351 -0.537 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.407 -3.280 -1.120 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.244 -3.731 -0.058 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -7.136 -3.733 -2.387 1.00 0.00 C ATOM 0 H THR 2 58 -4.384 -2.577 -2.232 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.877 -4.034 0.168 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.209 -2.210 -1.178 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -8.118 -3.293 -0.122 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -8.062 -3.169 -2.495 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.501 -3.557 -3.255 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -7.365 -4.796 -2.315 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.715 -5.763 -2.536 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.717 -7.118 -3.060 1.00 0.00 C ATOM 1740 C PHE 2 59 -4.464 -8.138 -1.948 1.00 0.00 C ATOM 1741 O PHE 2 59 -3.346 -8.249 -1.446 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.582 -7.204 -4.083 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.057 -7.258 -5.536 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.861 -6.276 -6.025 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.675 -8.288 -6.338 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.301 -6.326 -7.375 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.116 -8.338 -7.687 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.919 -7.356 -8.177 1.00 0.00 C ATOM 0 H PHE 2 59 -4.354 -5.058 -3.178 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.686 -7.342 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.927 -6.342 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.984 -8.091 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.165 -5.459 -5.388 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.037 -9.067 -5.949 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.939 -5.546 -7.764 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.814 -9.156 -8.324 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.253 -7.394 -9.203 1.00 0.00 H new