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 30:sc= -1.31 USER MOD Single : 1 25 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.014) USER MOD Single : 1 27 THR OG1 : rot 60:sc= 0.117 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.81! K(o=-2.8!,f=-0.5) USER MOD Single : 1 33 ASN : amide:sc= -0.0748 X(o=-0.075,f=-0.066) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.557 USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 50 LYS NZ :NH3+ -141:sc= -0.543 (180deg=-2.5!) USER MOD Single : 1 53 GLN : amide:sc= -6.63! C(o=-6.6!,f=-11!) USER MOD Single : 1 58 THR OG1 : rot -41:sc= -1.46! USER MOD Single : 2 23 TYR OH : rot 180:sc= 0 USER MOD Single : 2 25 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=-0.0088) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.438 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : 2 33 ASN : amide:sc= -0.0267 K(o=-0.027,f=-1.6) USER MOD Single : 2 37 CYS SG : rot 180:sc= 0 USER MOD Single : 2 40 SER OG : rot 109:sc= 0.271 USER MOD Single : 2 50 LYS NZ :NH3+ -152:sc= -3.55! (180deg=-4.32) USER MOD Single : 2 53 GLN : amide:sc= -13.7! C(o=-14!,f=-21!) USER MOD Single : 2 58 THR OG1 : rot -170:sc= -3.87! USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 0.747 -16.601 -1.331 1.00 0.00 N ATOM 229 CA ASP 1 17 -0.392 -15.858 -1.840 1.00 0.00 C ATOM 230 C ASP 1 17 -0.083 -14.360 -1.789 1.00 0.00 C ATOM 231 O ASP 1 17 -0.975 -13.533 -1.966 1.00 0.00 O ATOM 232 CB ASP 1 17 -1.640 -16.112 -0.992 1.00 0.00 C ATOM 233 CG ASP 1 17 -2.909 -15.413 -1.484 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -3.220 -15.578 -2.683 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -3.539 -14.730 -0.648 1.00 0.00 O ATOM 0 HA ASP 1 17 -0.578 -16.186 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -1.825 -17.186 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -1.439 -15.790 0.030 1.00 0.00 H new ATOM 240 N ARG 1 18 1.185 -14.059 -1.546 1.00 0.00 N ATOM 241 CA ARG 1 18 1.623 -12.675 -1.470 1.00 0.00 C ATOM 242 C ARG 1 18 2.104 -12.195 -2.840 1.00 0.00 C ATOM 243 O ARG 1 18 2.057 -12.942 -3.816 1.00 0.00 O ATOM 244 CB ARG 1 18 2.754 -12.512 -0.453 1.00 0.00 C ATOM 245 CG ARG 1 18 2.457 -13.293 0.829 1.00 0.00 C ATOM 246 CD ARG 1 18 3.701 -14.041 1.316 1.00 0.00 C ATOM 247 NE ARG 1 18 3.397 -14.762 2.572 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.313 -15.076 3.498 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.595 -14.733 3.314 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.947 -15.732 4.607 1.00 0.00 N ATOM 0 H ARG 1 18 1.922 -14.749 -1.399 1.00 0.00 H new ATOM 0 HA ARG 1 18 0.772 -12.074 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 3.691 -12.861 -0.887 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 2.886 -11.456 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.113 -12.609 1.605 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 1.649 -14.002 0.648 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.034 -14.745 0.554 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.518 -13.338 1.479 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.430 -15.037 2.743 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 5.873 -14.233 2.469 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.293 -14.972 4.018 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.971 -15.993 4.747 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.645 -15.971 5.312 1.00 0.00 H new ATOM 264 N VAL 1 19 2.558 -10.950 -2.869 1.00 0.00 N ATOM 265 CA VAL 1 19 3.047 -10.361 -4.103 1.00 0.00 C ATOM 266 C VAL 1 19 4.554 -10.119 -3.986 1.00 0.00 C ATOM 267 O VAL 1 19 5.111 -9.292 -4.704 1.00 0.00 O ATOM 268 CB VAL 1 19 2.261 -9.088 -4.424 1.00 0.00 C ATOM 269 CG1 VAL 1 19 2.375 -8.733 -5.909 1.00 0.00 C ATOM 270 CG2 VAL 1 19 0.797 -9.228 -4.004 1.00 0.00 C ATOM 0 H VAL 1 19 2.597 -10.334 -2.057 1.00 0.00 H new ATOM 0 HA VAL 1 19 2.891 -11.043 -4.939 1.00 0.00 H new ATOM 0 HB VAL 1 19 2.697 -8.270 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 1.807 -7.825 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 3.422 -8.571 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 1.977 -9.550 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.260 -8.310 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 0.343 -10.063 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 0.742 -9.411 -2.931 1.00 0.00 H new ATOM 280 N ASP 1 20 5.170 -10.856 -3.073 1.00 0.00 N ATOM 281 CA ASP 1 20 6.600 -10.732 -2.852 1.00 0.00 C ATOM 282 C ASP 1 20 7.029 -9.287 -3.115 1.00 0.00 C ATOM 283 O ASP 1 20 7.405 -8.941 -4.233 1.00 0.00 O ATOM 284 CB ASP 1 20 7.386 -11.639 -3.801 1.00 0.00 C ATOM 285 CG ASP 1 20 8.781 -11.134 -4.170 1.00 0.00 C ATOM 286 OD1 ASP 1 20 9.506 -10.732 -3.234 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.094 -11.164 -5.380 1.00 0.00 O ATOM 0 H ASP 1 20 4.704 -11.541 -2.478 1.00 0.00 H new ATOM 0 HA ASP 1 20 6.808 -11.022 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 7.482 -12.623 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 6.809 -11.769 -4.717 1.00 0.00 H new ATOM 292 N CYS 1 21 6.959 -8.482 -2.065 1.00 0.00 N ATOM 293 CA CYS 1 21 7.335 -7.083 -2.167 1.00 0.00 C ATOM 294 C CYS 1 21 8.713 -7.004 -2.830 1.00 0.00 C ATOM 295 O CYS 1 21 8.998 -6.060 -3.565 1.00 0.00 O ATOM 296 CB CYS 1 21 7.317 -6.389 -0.804 1.00 0.00 C ATOM 297 SG CYS 1 21 6.828 -4.626 -0.845 1.00 0.00 S ATOM 0 H CYS 1 21 6.647 -8.773 -1.138 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.606 -6.552 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.632 -6.926 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.310 -6.466 -0.360 1.00 0.00 H new ATOM 302 N GLY 1 22 9.529 -8.008 -2.545 1.00 0.00 N ATOM 303 CA GLY 1 22 10.870 -8.063 -3.104 1.00 0.00 C ATOM 304 C GLY 1 22 11.655 -6.793 -2.772 1.00 0.00 C ATOM 305 O GLY 1 22 12.184 -6.133 -3.666 1.00 0.00 O ATOM 0 H GLY 1 22 9.288 -8.789 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.396 -8.933 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 10.812 -8.187 -4.185 1.00 0.00 H new ATOM 309 N TYR 1 23 11.708 -6.488 -1.483 1.00 0.00 N ATOM 310 CA TYR 1 23 12.420 -5.308 -1.022 1.00 0.00 C ATOM 311 C TYR 1 23 13.890 -5.631 -0.741 1.00 0.00 C ATOM 312 O TYR 1 23 14.201 -6.672 -0.165 1.00 0.00 O ATOM 313 CB TYR 1 23 11.743 -4.892 0.286 1.00 0.00 C ATOM 314 CG TYR 1 23 11.508 -3.385 0.410 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.010 -2.672 -0.662 1.00 0.00 C ATOM 316 CD2 TYR 1 23 11.792 -2.738 1.596 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.789 -1.255 -0.544 1.00 0.00 C ATOM 318 CE2 TYR 1 23 11.571 -1.321 1.714 1.00 0.00 C ATOM 319 CZ TYR 1 23 11.079 -0.648 0.638 1.00 0.00 C ATOM 320 OH TYR 1 23 10.870 0.690 0.749 1.00 0.00 O ATOM 0 H TYR 1 23 11.270 -7.038 -0.744 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.391 -4.522 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.786 -5.407 0.368 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.357 -5.224 1.123 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.786 -3.178 -1.590 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 12.180 -3.296 2.436 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.401 -0.686 -1.376 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 11.791 -0.803 2.636 1.00 0.00 H new ATOM 0 HH TYR 1 23 10.128 0.955 0.166 1.00 0.00 H new ATOM 330 N PRO 1 24 14.776 -4.693 -1.171 1.00 0.00 N ATOM 331 CA PRO 1 24 16.205 -4.867 -0.971 1.00 0.00 C ATOM 332 C PRO 1 24 16.590 -4.612 0.487 1.00 0.00 C ATOM 333 O PRO 1 24 17.744 -4.799 0.870 1.00 0.00 O ATOM 334 CB PRO 1 24 16.858 -3.892 -1.938 1.00 0.00 C ATOM 335 CG PRO 1 24 15.781 -2.885 -2.305 1.00 0.00 C ATOM 336 CD PRO 1 24 14.442 -3.448 -1.855 1.00 0.00 C ATOM 0 HA PRO 1 24 16.537 -5.886 -1.169 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.713 -3.398 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.228 -4.409 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.974 -1.927 -1.822 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.777 -2.705 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.925 -2.757 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.782 -3.627 -2.704 1.00 0.00 H new ATOM 344 N HIS 1 25 15.601 -4.188 1.261 1.00 0.00 N ATOM 345 CA HIS 1 25 15.822 -3.905 2.669 1.00 0.00 C ATOM 346 C HIS 1 25 14.766 -4.625 3.509 1.00 0.00 C ATOM 347 O HIS 1 25 14.286 -4.086 4.505 1.00 0.00 O ATOM 348 CB HIS 1 25 15.854 -2.396 2.922 1.00 0.00 C ATOM 349 CG HIS 1 25 16.773 -1.637 1.996 1.00 0.00 C ATOM 350 ND1 HIS 1 25 18.152 -1.755 2.046 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.499 -0.752 0.996 1.00 0.00 C ATOM 352 CE1 HIS 1 25 18.673 -0.970 1.115 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.648 -0.348 0.466 1.00 0.00 N ATOM 0 H HIS 1 25 14.645 -4.034 0.940 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.798 -4.286 2.971 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.844 -1.999 2.820 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 16.164 -2.217 3.952 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.514 -0.433 0.687 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 19.725 -0.845 0.907 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.747 0.318 -0.300 1.00 0.00 H new ATOM 362 N VAL 1 26 14.434 -5.832 3.077 1.00 0.00 N ATOM 363 CA VAL 1 26 13.443 -6.632 3.776 1.00 0.00 C ATOM 364 C VAL 1 26 13.879 -6.818 5.231 1.00 0.00 C ATOM 365 O VAL 1 26 14.973 -7.314 5.496 1.00 0.00 O ATOM 366 CB VAL 1 26 13.228 -7.958 3.043 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.558 -8.547 2.573 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.466 -8.953 3.921 1.00 0.00 C ATOM 0 H VAL 1 26 14.834 -6.276 2.251 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.480 -6.122 3.787 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.621 -7.758 2.160 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.376 -9.489 2.055 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 15.046 -7.848 1.894 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 15.202 -8.725 3.434 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.327 -9.887 3.376 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 13.035 -9.145 4.831 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.493 -8.537 4.182 1.00 0.00 H new ATOM 378 N THR 1 27 13.001 -6.411 6.135 1.00 0.00 N ATOM 379 CA THR 1 27 13.281 -6.527 7.556 1.00 0.00 C ATOM 380 C THR 1 27 12.010 -6.283 8.373 1.00 0.00 C ATOM 381 O THR 1 27 11.123 -5.548 7.942 1.00 0.00 O ATOM 382 CB THR 1 27 14.415 -5.558 7.895 1.00 0.00 C ATOM 383 OG1 THR 1 27 15.491 -6.405 8.291 1.00 0.00 O ATOM 384 CG2 THR 1 27 14.119 -4.723 9.143 1.00 0.00 C ATOM 0 H THR 1 27 12.095 -6.000 5.911 1.00 0.00 H new ATOM 0 HA THR 1 27 13.606 -7.535 7.813 1.00 0.00 H new ATOM 0 HB THR 1 27 14.590 -4.895 7.048 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.723 -7.006 7.553 1.00 0.00 H new ATOM 0 HG21 THR 1 27 14.956 -4.052 9.339 1.00 0.00 H new ATOM 0 HG22 THR 1 27 13.214 -4.137 8.983 1.00 0.00 H new ATOM 0 HG23 THR 1 27 13.976 -5.384 9.998 1.00 0.00 H new ATOM 392 N PRO 1 28 11.962 -6.932 9.567 1.00 0.00 N ATOM 393 CA PRO 1 28 10.814 -6.793 10.447 1.00 0.00 C ATOM 394 C PRO 1 28 10.820 -5.433 11.147 1.00 0.00 C ATOM 395 O PRO 1 28 10.771 -5.361 12.373 1.00 0.00 O ATOM 396 CB PRO 1 28 10.918 -7.960 11.416 1.00 0.00 C ATOM 397 CG PRO 1 28 12.359 -8.437 11.340 1.00 0.00 C ATOM 398 CD PRO 1 28 12.994 -7.811 10.109 1.00 0.00 C ATOM 0 HA PRO 1 28 9.866 -6.821 9.909 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.662 -7.650 12.429 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.227 -8.758 11.142 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.904 -8.149 12.239 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.398 -9.525 11.278 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.894 -7.253 10.368 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.288 -8.571 9.385 1.00 0.00 H new ATOM 406 N LYS 1 29 10.881 -4.387 10.336 1.00 0.00 N ATOM 407 CA LYS 1 29 10.894 -3.032 10.862 1.00 0.00 C ATOM 408 C LYS 1 29 10.980 -2.040 9.700 1.00 0.00 C ATOM 409 O LYS 1 29 10.577 -0.885 9.834 1.00 0.00 O ATOM 410 CB LYS 1 29 12.012 -2.869 11.894 1.00 0.00 C ATOM 411 CG LYS 1 29 12.018 -1.454 12.476 1.00 0.00 C ATOM 412 CD LYS 1 29 12.272 -1.483 13.984 1.00 0.00 C ATOM 413 CE LYS 1 29 12.397 -0.066 14.546 1.00 0.00 C ATOM 414 NZ LYS 1 29 11.809 0.009 15.902 1.00 0.00 N ATOM 0 H LYS 1 29 10.922 -4.450 9.319 1.00 0.00 H new ATOM 0 HA LYS 1 29 9.967 -2.821 11.395 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 11.880 -3.595 12.696 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 12.975 -3.079 11.429 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 12.788 -0.858 11.985 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 11.063 -0.970 12.274 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 11.456 -2.006 14.484 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 13.184 -2.042 14.192 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 13.447 0.226 14.582 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 11.893 0.639 13.885 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 11.903 0.978 16.268 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 10.802 -0.249 15.859 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 12.308 -0.649 16.534 1.00 0.00 H new ATOM 428 N GLU 1 30 11.508 -2.526 8.586 1.00 0.00 N ATOM 429 CA GLU 1 30 11.652 -1.696 7.402 1.00 0.00 C ATOM 430 C GLU 1 30 10.486 -1.935 6.441 1.00 0.00 C ATOM 431 O GLU 1 30 9.908 -0.987 5.912 1.00 0.00 O ATOM 432 CB GLU 1 30 12.992 -1.954 6.712 1.00 0.00 C ATOM 433 CG GLU 1 30 13.938 -0.764 6.891 1.00 0.00 C ATOM 434 CD GLU 1 30 14.933 -1.019 8.025 1.00 0.00 C ATOM 435 OE1 GLU 1 30 16.002 -1.592 7.725 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.601 -0.637 9.168 1.00 0.00 O ATOM 0 H GLU 1 30 11.841 -3.484 8.478 1.00 0.00 H new ATOM 0 HA GLU 1 30 11.634 -0.651 7.711 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 13.450 -2.853 7.124 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 12.829 -2.137 5.650 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 14.479 -0.582 5.962 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 13.360 0.135 7.105 1.00 0.00 H new ATOM 443 N CYS 1 31 10.175 -3.208 6.244 1.00 0.00 N ATOM 444 CA CYS 1 31 9.088 -3.585 5.355 1.00 0.00 C ATOM 445 C CYS 1 31 7.784 -3.026 5.929 1.00 0.00 C ATOM 446 O CYS 1 31 7.073 -2.284 5.252 1.00 0.00 O ATOM 447 CB CYS 1 31 9.020 -5.100 5.155 1.00 0.00 C ATOM 448 SG CYS 1 31 10.098 -5.747 3.825 1.00 0.00 S ATOM 0 H CYS 1 31 10.657 -3.992 6.685 1.00 0.00 H new ATOM 0 HA CYS 1 31 9.260 -3.162 4.365 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 9.289 -5.589 6.092 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.989 -5.378 4.935 1.00 0.00 H new ATOM 453 N ASN 1 32 7.510 -3.403 7.169 1.00 0.00 N ATOM 454 CA ASN 1 32 6.305 -2.948 7.839 1.00 0.00 C ATOM 455 C ASN 1 32 6.356 -1.427 7.997 1.00 0.00 C ATOM 456 O ASN 1 32 5.385 -0.812 8.437 1.00 0.00 O ATOM 457 CB ASN 1 32 6.185 -3.564 9.235 1.00 0.00 C ATOM 458 CG ASN 1 32 5.217 -4.750 9.231 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.189 -4.747 9.888 1.00 0.00 O ATOM 460 ND2 ASN 1 32 5.602 -5.759 8.455 1.00 0.00 N ATOM 0 H ASN 1 32 8.102 -4.018 7.727 1.00 0.00 H new ATOM 0 HA ASN 1 32 5.450 -3.251 7.235 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 7.167 -3.892 9.577 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 5.838 -2.809 9.941 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 5.024 -6.596 8.383 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 6.475 -5.695 7.932 1.00 0.00 H new ATOM 467 N ASN 1 33 7.498 -0.865 7.630 1.00 0.00 N ATOM 468 CA ASN 1 33 7.689 0.572 7.725 1.00 0.00 C ATOM 469 C ASN 1 33 7.644 1.182 6.322 1.00 0.00 C ATOM 470 O ASN 1 33 7.326 2.360 6.163 1.00 0.00 O ATOM 471 CB ASN 1 33 9.047 0.909 8.343 1.00 0.00 C ATOM 472 CG ASN 1 33 9.332 2.409 8.258 1.00 0.00 C ATOM 473 OD1 ASN 1 33 8.670 3.229 8.872 1.00 0.00 O ATOM 474 ND2 ASN 1 33 10.352 2.721 7.463 1.00 0.00 N ATOM 0 H ASN 1 33 8.301 -1.379 7.266 1.00 0.00 H new ATOM 0 HA ASN 1 33 6.897 0.976 8.355 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 9.065 0.590 9.385 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 9.832 0.356 7.827 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 10.622 3.697 7.339 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 10.864 1.984 6.978 1.00 0.00 H new ATOM 481 N ARG 1 34 7.966 0.353 5.341 1.00 0.00 N ATOM 482 CA ARG 1 34 7.967 0.796 3.957 1.00 0.00 C ATOM 483 C ARG 1 34 6.578 0.617 3.341 1.00 0.00 C ATOM 484 O ARG 1 34 6.202 1.346 2.425 1.00 0.00 O ATOM 485 CB ARG 1 34 8.989 0.014 3.129 1.00 0.00 C ATOM 486 CG ARG 1 34 8.319 -1.139 2.378 1.00 0.00 C ATOM 487 CD ARG 1 34 7.828 -0.685 1.001 1.00 0.00 C ATOM 488 NE ARG 1 34 6.525 -1.316 0.695 1.00 0.00 N ATOM 489 CZ ARG 1 34 6.029 -1.454 -0.542 1.00 0.00 C ATOM 490 NH1 ARG 1 34 6.724 -1.005 -1.596 1.00 0.00 N ATOM 491 NH2 ARG 1 34 4.838 -2.040 -0.725 1.00 0.00 N ATOM 0 H ARG 1 34 8.228 -0.623 5.477 1.00 0.00 H new ATOM 0 HA ARG 1 34 8.239 1.851 3.947 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 9.474 0.683 2.418 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 9.769 -0.377 3.782 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 9.025 -1.962 2.263 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 7.479 -1.518 2.961 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 7.729 0.400 0.981 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 8.559 -0.953 0.238 1.00 0.00 H new ATOM 0 HE ARG 1 34 5.970 -1.668 1.475 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 7.630 -0.558 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 6.347 -1.110 -2.538 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 4.309 -2.381 0.077 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 4.461 -2.145 -1.667 1.00 0.00 H new ATOM 505 N GLY 1 35 5.852 -0.357 3.871 1.00 0.00 N ATOM 506 CA GLY 1 35 4.513 -0.642 3.385 1.00 0.00 C ATOM 507 C GLY 1 35 4.375 -2.113 2.988 1.00 0.00 C ATOM 508 O GLY 1 35 3.511 -2.464 2.185 1.00 0.00 O ATOM 0 H GLY 1 35 6.166 -0.959 4.632 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 3.783 -0.400 4.157 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 4.291 -0.008 2.527 1.00 0.00 H new ATOM 512 N CYS 1 36 5.238 -2.933 3.567 1.00 0.00 N ATOM 513 CA CYS 1 36 5.222 -4.358 3.284 1.00 0.00 C ATOM 514 C CYS 1 36 4.977 -5.107 4.596 1.00 0.00 C ATOM 515 O CYS 1 36 4.868 -4.491 5.655 1.00 0.00 O ATOM 516 CB CYS 1 36 6.513 -4.812 2.600 1.00 0.00 C ATOM 517 SG CYS 1 36 6.798 -4.092 0.942 1.00 0.00 S ATOM 0 H CYS 1 36 5.954 -2.638 4.231 1.00 0.00 H new ATOM 0 HA CYS 1 36 4.418 -4.583 2.584 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 7.356 -4.556 3.241 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 6.498 -5.898 2.511 1.00 0.00 H new ATOM 522 N CYS 1 37 4.899 -6.425 4.483 1.00 0.00 N ATOM 523 CA CYS 1 37 4.669 -7.263 5.647 1.00 0.00 C ATOM 524 C CYS 1 37 5.805 -8.284 5.736 1.00 0.00 C ATOM 525 O CYS 1 37 6.092 -8.983 4.765 1.00 0.00 O ATOM 526 CB CYS 1 37 3.298 -7.938 5.596 1.00 0.00 C ATOM 527 SG CYS 1 37 2.739 -8.664 7.180 1.00 0.00 S ATOM 0 H CYS 1 37 4.991 -6.933 3.603 1.00 0.00 H new ATOM 0 HA CYS 1 37 4.664 -6.647 6.546 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.560 -7.206 5.268 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 3.324 -8.724 4.841 1.00 0.00 H new ATOM 0 HG CYS 1 37 1.568 -9.205 7.020 1.00 0.00 H new ATOM 532 N PHE 1 38 6.420 -8.337 6.908 1.00 0.00 N ATOM 533 CA PHE 1 38 7.519 -9.261 7.135 1.00 0.00 C ATOM 534 C PHE 1 38 7.003 -10.619 7.613 1.00 0.00 C ATOM 535 O PHE 1 38 6.285 -10.700 8.608 1.00 0.00 O ATOM 536 CB PHE 1 38 8.398 -8.650 8.228 1.00 0.00 C ATOM 537 CG PHE 1 38 9.771 -9.312 8.364 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.777 -8.973 7.516 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.984 -10.240 9.336 1.00 0.00 C ATOM 540 CE1 PHE 1 38 12.051 -9.588 7.643 1.00 0.00 C ATOM 541 CE2 PHE 1 38 11.258 -10.855 9.463 1.00 0.00 C ATOM 542 CZ PHE 1 38 12.264 -10.516 8.614 1.00 0.00 C ATOM 0 H PHE 1 38 6.179 -7.756 7.711 1.00 0.00 H new ATOM 0 HA PHE 1 38 8.071 -9.417 6.208 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 8.536 -7.589 8.018 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.876 -8.721 9.182 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.608 -8.236 6.745 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 9.185 -10.509 10.011 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.850 -9.319 6.969 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 11.427 -11.592 10.234 1.00 0.00 H new ATOM 0 HZ PHE 1 38 13.233 -10.984 8.711 1.00 0.00 H new ATOM 552 N ASP 1 39 7.388 -11.654 6.881 1.00 0.00 N ATOM 553 CA ASP 1 39 6.973 -13.005 7.217 1.00 0.00 C ATOM 554 C ASP 1 39 7.841 -13.531 8.363 1.00 0.00 C ATOM 555 O ASP 1 39 7.489 -13.379 9.532 1.00 0.00 O ATOM 556 CB ASP 1 39 7.146 -13.948 6.024 1.00 0.00 C ATOM 557 CG ASP 1 39 6.895 -15.426 6.326 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.438 -15.705 7.456 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.165 -16.245 5.421 1.00 0.00 O ATOM 0 H ASP 1 39 7.983 -11.584 6.056 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.922 -12.973 7.502 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 6.467 -13.634 5.231 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 8.159 -13.839 5.638 1.00 0.00 H new ATOM 564 N SER 1 40 8.957 -14.137 7.987 1.00 0.00 N ATOM 565 CA SER 1 40 9.877 -14.686 8.970 1.00 0.00 C ATOM 566 C SER 1 40 9.475 -16.119 9.320 1.00 0.00 C ATOM 567 O SER 1 40 10.308 -16.912 9.757 1.00 0.00 O ATOM 568 CB SER 1 40 9.916 -13.821 10.232 1.00 0.00 C ATOM 569 OG SER 1 40 11.143 -13.965 10.941 1.00 0.00 O ATOM 0 H SER 1 40 9.246 -14.260 7.016 1.00 0.00 H new ATOM 0 HA SER 1 40 10.877 -14.692 8.536 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.776 -12.775 9.959 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.086 -14.094 10.884 1.00 0.00 H new ATOM 0 HG SER 1 40 11.129 -13.396 11.739 1.00 0.00 H new ATOM 575 N ARG 1 41 8.199 -16.409 9.115 1.00 0.00 N ATOM 576 CA ARG 1 41 7.676 -17.734 9.405 1.00 0.00 C ATOM 577 C ARG 1 41 8.188 -18.742 8.373 1.00 0.00 C ATOM 578 O ARG 1 41 8.601 -19.844 8.730 1.00 0.00 O ATOM 579 CB ARG 1 41 6.146 -17.737 9.395 1.00 0.00 C ATOM 580 CG ARG 1 41 5.591 -16.529 10.155 1.00 0.00 C ATOM 581 CD ARG 1 41 4.298 -16.891 10.888 1.00 0.00 C ATOM 582 NE ARG 1 41 4.595 -17.789 12.025 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.669 -18.502 12.682 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.383 -18.426 12.317 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.031 -19.291 13.702 1.00 0.00 N ATOM 0 H ARG 1 41 7.511 -15.749 8.751 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.021 -18.018 10.399 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.785 -17.721 8.367 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.777 -18.657 9.848 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.332 -16.173 10.871 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.402 -15.712 9.459 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.808 -15.986 11.247 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.605 -17.377 10.201 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.565 -17.871 12.328 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.108 -17.826 11.539 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.678 -18.968 12.817 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.011 -19.349 13.979 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.327 -19.834 14.202 1.00 0.00 H new ATOM 599 N ILE 1 42 8.142 -18.329 7.115 1.00 0.00 N ATOM 600 CA ILE 1 42 8.595 -19.183 6.031 1.00 0.00 C ATOM 601 C ILE 1 42 9.739 -18.491 5.286 1.00 0.00 C ATOM 602 O ILE 1 42 9.514 -17.542 4.537 1.00 0.00 O ATOM 603 CB ILE 1 42 7.423 -19.572 5.129 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.114 -19.622 5.921 1.00 0.00 C ATOM 605 CG2 ILE 1 42 7.702 -20.889 4.402 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.249 -20.803 5.479 1.00 0.00 C ATOM 0 H ILE 1 42 7.798 -17.414 6.823 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.989 -20.120 6.425 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.310 -18.801 4.367 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.332 -19.705 6.986 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 5.564 -18.691 5.780 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 6.852 -21.142 3.768 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 8.595 -20.783 3.787 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 7.857 -21.682 5.133 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.326 -20.814 6.058 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.012 -20.704 4.420 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 5.792 -21.734 5.644 1.00 0.00 H new ATOM 618 N PRO 1 43 10.976 -19.006 5.526 1.00 0.00 N ATOM 619 CA PRO 1 43 12.155 -18.448 4.888 1.00 0.00 C ATOM 620 C PRO 1 43 12.230 -18.862 3.417 1.00 0.00 C ATOM 621 O PRO 1 43 13.115 -18.418 2.688 1.00 0.00 O ATOM 622 CB PRO 1 43 13.327 -18.962 5.709 1.00 0.00 C ATOM 623 CG PRO 1 43 12.798 -20.155 6.489 1.00 0.00 C ATOM 624 CD PRO 1 43 11.281 -20.129 6.408 1.00 0.00 C ATOM 0 HA PRO 1 43 12.146 -17.358 4.868 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.157 -19.253 5.065 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 13.701 -18.190 6.382 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.187 -21.085 6.074 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.126 -20.108 7.528 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 10.890 -21.064 6.008 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 10.834 -19.992 7.393 1.00 0.00 H new ATOM 632 N GLY 1 44 11.289 -19.708 3.024 1.00 0.00 N ATOM 633 CA GLY 1 44 11.237 -20.186 1.653 1.00 0.00 C ATOM 634 C GLY 1 44 10.303 -19.319 0.806 1.00 0.00 C ATOM 635 O GLY 1 44 10.181 -19.529 -0.401 1.00 0.00 O ATOM 0 H GLY 1 44 10.556 -20.075 3.631 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 12.238 -20.176 1.222 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 10.893 -21.220 1.637 1.00 0.00 H new ATOM 639 N VAL 1 45 9.667 -18.366 1.470 1.00 0.00 N ATOM 640 CA VAL 1 45 8.747 -17.467 0.792 1.00 0.00 C ATOM 641 C VAL 1 45 9.224 -16.025 0.976 1.00 0.00 C ATOM 642 O VAL 1 45 10.284 -15.786 1.550 1.00 0.00 O ATOM 643 CB VAL 1 45 7.323 -17.696 1.299 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.096 -19.168 1.651 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.015 -16.792 2.495 1.00 0.00 C ATOM 0 H VAL 1 45 9.770 -18.196 2.470 1.00 0.00 H new ATOM 0 HA VAL 1 45 8.732 -17.670 -0.279 1.00 0.00 H new ATOM 0 HB VAL 1 45 6.635 -17.434 0.495 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.075 -19.303 2.009 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 7.254 -19.783 0.765 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.797 -19.468 2.430 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 5.996 -16.975 2.836 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 7.713 -17.008 3.304 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.116 -15.748 2.198 1.00 0.00 H new ATOM 655 N PRO 1 46 8.395 -15.076 0.463 1.00 0.00 N ATOM 656 CA PRO 1 46 8.719 -13.664 0.564 1.00 0.00 C ATOM 657 C PRO 1 46 8.486 -13.148 1.986 1.00 0.00 C ATOM 658 O PRO 1 46 7.374 -13.231 2.505 1.00 0.00 O ATOM 659 CB PRO 1 46 7.837 -12.982 -0.467 1.00 0.00 C ATOM 660 CG PRO 1 46 6.724 -13.968 -0.780 1.00 0.00 C ATOM 661 CD PRO 1 46 7.130 -15.322 -0.225 1.00 0.00 C ATOM 0 HA PRO 1 46 9.771 -13.459 0.365 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.433 -12.047 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.404 -12.735 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 5.786 -13.639 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 6.561 -14.030 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.376 -15.712 0.459 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.248 -16.057 -1.021 1.00 0.00 H new ATOM 669 N TRP 1 47 9.553 -12.629 2.575 1.00 0.00 N ATOM 670 CA TRP 1 47 9.478 -12.100 3.926 1.00 0.00 C ATOM 671 C TRP 1 47 9.209 -10.597 3.832 1.00 0.00 C ATOM 672 O TRP 1 47 9.594 -9.837 4.719 1.00 0.00 O ATOM 673 CB TRP 1 47 10.746 -12.432 4.716 1.00 0.00 C ATOM 674 CG TRP 1 47 11.610 -13.522 4.077 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.423 -14.848 4.111 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.811 -13.322 3.302 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.413 -15.516 3.418 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.283 -14.558 2.911 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.477 -12.137 2.945 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.440 -14.728 2.141 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.631 -12.323 2.176 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.119 -13.561 1.773 1.00 0.00 C ATOM 0 H TRP 1 47 10.474 -12.564 2.142 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.661 -12.566 4.477 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.343 -11.526 4.823 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.464 -12.748 5.720 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.601 -15.333 4.617 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.491 -16.526 3.300 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.126 -11.160 3.241 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 14.789 -15.707 1.847 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.181 -11.444 1.874 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.018 -13.622 1.178 1.00 0.00 H new ATOM 693 N CYS 1 48 8.551 -10.212 2.749 1.00 0.00 N ATOM 694 CA CYS 1 48 8.227 -8.814 2.526 1.00 0.00 C ATOM 695 C CYS 1 48 7.196 -8.732 1.398 1.00 0.00 C ATOM 696 O CYS 1 48 7.547 -8.835 0.224 1.00 0.00 O ATOM 697 CB CYS 1 48 9.476 -7.986 2.219 1.00 0.00 C ATOM 698 SG CYS 1 48 9.217 -6.174 2.230 1.00 0.00 S ATOM 0 H CYS 1 48 8.233 -10.845 2.015 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.803 -8.388 3.435 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 10.247 -8.233 2.949 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.857 -8.279 1.241 1.00 0.00 H new ATOM 703 N PHE 1 49 5.945 -8.549 1.795 1.00 0.00 N ATOM 704 CA PHE 1 49 4.861 -8.454 0.831 1.00 0.00 C ATOM 705 C PHE 1 49 3.895 -7.328 1.205 1.00 0.00 C ATOM 706 O PHE 1 49 4.179 -6.531 2.097 1.00 0.00 O ATOM 707 CB PHE 1 49 4.112 -9.787 0.867 1.00 0.00 C ATOM 708 CG PHE 1 49 4.255 -10.546 2.188 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.481 -10.961 2.604 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.155 -10.804 2.945 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.613 -11.666 3.830 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.287 -11.507 4.172 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.514 -11.924 4.588 1.00 0.00 C ATOM 0 H PHE 1 49 5.658 -8.464 2.770 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.261 -8.240 -0.160 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.054 -9.603 0.678 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.475 -10.418 0.056 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.354 -10.755 2.003 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.181 -10.474 2.613 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.586 -11.997 4.160 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.414 -11.711 4.775 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.615 -12.460 5.520 1.00 0.00 H new ATOM 723 N LYS 1 50 2.771 -7.299 0.502 1.00 0.00 N ATOM 724 CA LYS 1 50 1.760 -6.285 0.749 1.00 0.00 C ATOM 725 C LYS 1 50 0.427 -6.966 1.064 1.00 0.00 C ATOM 726 O LYS 1 50 -0.522 -6.870 0.287 1.00 0.00 O ATOM 727 CB LYS 1 50 1.688 -5.305 -0.424 1.00 0.00 C ATOM 728 CG LYS 1 50 1.567 -6.050 -1.755 1.00 0.00 C ATOM 729 CD LYS 1 50 2.825 -5.857 -2.607 1.00 0.00 C ATOM 730 CE LYS 1 50 3.204 -4.378 -2.697 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.318 -3.957 -4.111 1.00 0.00 N ATOM 0 H LYS 1 50 2.539 -7.961 -0.238 1.00 0.00 H new ATOM 0 HA LYS 1 50 2.025 -5.686 1.620 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.833 -4.641 -0.296 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.580 -4.678 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.409 -7.112 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.695 -5.689 -2.300 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.651 -6.422 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.655 -6.254 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.452 -3.772 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.150 -4.207 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 4.122 -3.306 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.469 -4.793 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.443 -3.476 -4.402 1.00 0.00 H new ATOM 745 N PRO 1 51 0.398 -7.656 2.235 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.804 -8.352 2.663 1.00 0.00 C ATOM 747 C PRO 1 51 -1.856 -7.367 3.177 1.00 0.00 C ATOM 748 O PRO 1 51 -2.628 -6.815 2.395 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.334 -9.329 3.730 1.00 0.00 C ATOM 750 CG PRO 1 51 1.023 -8.823 4.189 1.00 0.00 C ATOM 751 CD PRO 1 51 1.502 -7.791 3.180 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.297 -8.880 1.847 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.038 -9.368 4.561 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.259 -10.340 3.328 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.949 -8.380 5.182 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.734 -9.647 4.259 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.728 -6.840 3.663 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.413 -8.119 2.680 1.00 0.00 H new ATOM 759 N LEU 1 52 -1.851 -7.176 4.488 1.00 0.00 N ATOM 760 CA LEU 1 52 -2.796 -6.267 5.115 1.00 0.00 C ATOM 761 C LEU 1 52 -2.200 -4.859 5.141 1.00 0.00 C ATOM 762 O LEU 1 52 -2.550 -4.048 5.997 1.00 0.00 O ATOM 763 CB LEU 1 52 -3.204 -6.787 6.495 1.00 0.00 C ATOM 764 CG LEU 1 52 -2.446 -6.196 7.686 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -2.528 -7.122 8.902 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -0.999 -5.872 7.308 1.00 0.00 C ATOM 0 H LEU 1 52 -1.208 -7.635 5.133 1.00 0.00 H new ATOM 0 HA LEU 1 52 -3.717 -6.214 4.534 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -4.268 -6.593 6.634 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.073 -7.869 6.507 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.924 -5.257 7.964 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -1.981 -6.679 9.734 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -3.572 -7.259 9.185 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -2.090 -8.088 8.654 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -0.482 -5.453 8.172 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -0.493 -6.784 6.989 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -0.989 -5.148 6.493 1.00 0.00 H new ATOM 778 N GLN 1 53 -1.310 -4.609 4.191 1.00 0.00 N ATOM 779 CA GLN 1 53 -0.663 -3.312 4.093 1.00 0.00 C ATOM 780 C GLN 1 53 -1.710 -2.206 3.945 1.00 0.00 C ATOM 781 O GLN 1 53 -1.463 -1.060 4.316 1.00 0.00 O ATOM 782 CB GLN 1 53 0.335 -3.283 2.934 1.00 0.00 C ATOM 783 CG GLN 1 53 1.513 -4.223 3.200 1.00 0.00 C ATOM 784 CD GLN 1 53 2.124 -3.958 4.577 1.00 0.00 C ATOM 785 OE1 GLN 1 53 2.772 -2.953 4.814 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.883 -4.916 5.469 1.00 0.00 N ATOM 0 H GLN 1 53 -1.022 -5.284 3.482 1.00 0.00 H new ATOM 0 HA GLN 1 53 -0.105 -3.135 5.013 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.166 -3.574 2.011 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 0.702 -2.267 2.791 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 1.178 -5.258 3.140 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 2.272 -4.088 2.429 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.332 -5.733 5.204 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 2.249 -4.834 6.417 1.00 0.00 H new ATOM 795 N GLU 1 54 -2.855 -2.590 3.401 1.00 0.00 N ATOM 796 CA GLU 1 54 -3.941 -1.645 3.198 1.00 0.00 C ATOM 797 C GLU 1 54 -4.057 -0.704 4.400 1.00 0.00 C ATOM 798 O GLU 1 54 -4.541 0.420 4.268 1.00 0.00 O ATOM 799 CB GLU 1 54 -5.261 -2.373 2.943 1.00 0.00 C ATOM 800 CG GLU 1 54 -5.936 -2.763 4.259 1.00 0.00 C ATOM 801 CD GLU 1 54 -6.720 -1.586 4.844 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -7.227 -0.783 4.031 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -6.795 -1.517 6.089 1.00 0.00 O ATOM 0 H GLU 1 54 -3.055 -3.542 3.094 1.00 0.00 H new ATOM 0 HA GLU 1 54 -3.717 -1.048 2.314 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -5.927 -1.733 2.364 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.078 -3.266 2.345 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.608 -3.605 4.092 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -5.183 -3.094 4.974 1.00 0.00 H new ATOM 810 N ALA 1 55 -3.605 -1.198 5.543 1.00 0.00 N ATOM 811 CA ALA 1 55 -3.651 -0.416 6.767 1.00 0.00 C ATOM 812 C ALA 1 55 -3.127 0.994 6.486 1.00 0.00 C ATOM 813 O ALA 1 55 -3.898 1.892 6.150 1.00 0.00 O ATOM 814 CB ALA 1 55 -2.853 -1.128 7.859 1.00 0.00 C ATOM 0 H ALA 1 55 -3.205 -2.130 5.648 1.00 0.00 H new ATOM 0 HA ALA 1 55 -4.677 -0.322 7.123 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -2.888 -0.541 8.777 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.284 -2.112 8.041 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -1.817 -1.239 7.539 1.00 0.00 H new ATOM 820 N GLU 1 56 -1.819 1.145 6.633 1.00 0.00 N ATOM 821 CA GLU 1 56 -1.183 2.430 6.400 1.00 0.00 C ATOM 822 C GLU 1 56 -0.582 2.477 4.994 1.00 0.00 C ATOM 823 O GLU 1 56 0.298 3.291 4.719 1.00 0.00 O ATOM 824 CB GLU 1 56 -0.118 2.714 7.462 1.00 0.00 C ATOM 825 CG GLU 1 56 1.020 1.696 7.384 1.00 0.00 C ATOM 826 CD GLU 1 56 1.136 0.902 8.688 1.00 0.00 C ATOM 827 OE1 GLU 1 56 0.069 0.551 9.235 1.00 0.00 O ATOM 828 OE2 GLU 1 56 2.290 0.666 9.107 1.00 0.00 O ATOM 0 H GLU 1 56 -1.182 0.398 6.911 1.00 0.00 H new ATOM 0 HA GLU 1 56 -1.942 3.209 6.476 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 0.279 3.720 7.324 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -0.571 2.683 8.453 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 0.846 1.013 6.553 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 1.960 2.210 7.182 1.00 0.00 H new ATOM 835 N CYS 1 57 -1.081 1.594 4.142 1.00 0.00 N ATOM 836 CA CYS 1 57 -0.604 1.525 2.772 1.00 0.00 C ATOM 837 C CYS 1 57 -1.686 2.105 1.857 1.00 0.00 C ATOM 838 O CYS 1 57 -1.459 3.107 1.181 1.00 0.00 O ATOM 839 CB CYS 1 57 -0.228 0.096 2.375 1.00 0.00 C ATOM 840 SG CYS 1 57 0.895 -0.031 0.935 1.00 0.00 S ATOM 0 H CYS 1 57 -1.811 0.920 4.374 1.00 0.00 H new ATOM 0 HA CYS 1 57 0.309 2.112 2.672 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 0.243 -0.391 3.229 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.141 -0.457 2.156 1.00 0.00 H new ATOM 845 N THR 1 58 -2.837 1.449 1.865 1.00 0.00 N ATOM 846 CA THR 1 58 -3.953 1.887 1.045 1.00 0.00 C ATOM 847 C THR 1 58 -4.861 2.829 1.839 1.00 0.00 C ATOM 848 O THR 1 58 -5.818 3.378 1.296 1.00 0.00 O ATOM 849 CB THR 1 58 -4.675 0.643 0.525 1.00 0.00 C ATOM 850 OG1 THR 1 58 -5.079 1.001 -0.794 1.00 0.00 O ATOM 851 CG2 THR 1 58 -5.991 0.379 1.259 1.00 0.00 C ATOM 0 H THR 1 58 -3.021 0.617 2.426 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.610 2.464 0.186 1.00 0.00 H new ATOM 0 HB THR 1 58 -4.022 -0.224 0.628 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -5.406 1.925 -0.797 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -6.462 -0.515 0.851 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -5.792 0.232 2.321 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -6.657 1.232 1.129 1.00 0.00 H new ATOM 859 N PHE 1 59 -4.528 2.986 3.112 1.00 0.00 N ATOM 860 CA PHE 1 59 -5.301 3.853 3.985 1.00 0.00 C ATOM 861 C PHE 1 59 -5.926 5.008 3.200 1.00 0.00 C ATOM 862 O PHE 1 59 -6.158 6.083 3.751 1.00 0.00 O ATOM 863 CB PHE 1 59 -4.332 4.421 5.023 1.00 0.00 C ATOM 864 CG PHE 1 59 -4.935 4.573 6.422 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -5.722 3.589 6.933 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -4.683 5.692 7.152 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -6.282 3.729 8.230 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -5.242 5.832 8.451 1.00 0.00 C ATOM 869 CZ PHE 1 59 -6.030 4.848 8.962 1.00 0.00 C ATOM 0 H PHE 1 59 -3.734 2.528 3.559 1.00 0.00 H new ATOM 0 HA PHE 1 59 -6.109 3.288 4.449 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -3.459 3.771 5.084 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -3.981 5.395 4.682 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -5.921 2.701 6.352 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -4.059 6.474 6.745 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -6.908 2.948 8.636 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -5.041 6.720 9.033 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -6.456 4.955 9.949 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.951 14.563 -0.965 1.00 0.00 N ATOM 1108 CA ASP 2 17 -10.615 13.388 -0.428 1.00 0.00 C ATOM 1109 C ASP 2 17 -9.569 12.315 -0.116 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.914 11.158 0.122 1.00 0.00 O ATOM 1111 CB ASP 2 17 -11.604 12.803 -1.438 1.00 0.00 C ATOM 1112 CG ASP 2 17 -12.659 11.867 -0.845 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.671 11.742 0.399 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -13.429 11.298 -1.647 1.00 0.00 O ATOM 0 HA ASP 2 17 -11.153 13.687 0.472 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -12.112 13.624 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -11.044 12.259 -2.198 1.00 0.00 H new ATOM 1119 N ARG 2 18 -8.314 12.737 -0.125 1.00 0.00 N ATOM 1120 CA ARG 2 18 -7.216 11.827 0.155 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.889 11.833 1.649 1.00 0.00 C ATOM 1122 O ARG 2 18 -7.521 12.549 2.424 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.965 12.214 -0.637 1.00 0.00 C ATOM 1124 CG ARG 2 18 -6.299 12.450 -2.111 1.00 0.00 C ATOM 1125 CD ARG 2 18 -5.420 13.553 -2.703 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.458 13.492 -4.182 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.684 14.234 -4.985 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.806 15.098 -4.457 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.787 14.112 -6.315 1.00 0.00 N ATOM 0 H ARG 2 18 -8.032 13.697 -0.322 1.00 0.00 H new ATOM 0 HA ARG 2 18 -7.528 10.827 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -5.526 13.116 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -5.218 11.425 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -6.157 11.526 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -7.349 12.725 -2.210 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.767 14.528 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -4.394 13.439 -2.352 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.115 12.844 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -3.727 15.190 -3.444 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -3.216 15.663 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.455 13.454 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.198 14.677 -6.926 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.900 11.028 2.009 1.00 0.00 N ATOM 1144 CA VAL 2 19 -5.480 10.931 3.397 1.00 0.00 C ATOM 1145 C VAL 2 19 -4.121 11.613 3.562 1.00 0.00 C ATOM 1146 O VAL 2 19 -3.431 11.395 4.557 1.00 0.00 O ATOM 1147 CB VAL 2 19 -5.474 9.467 3.840 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -5.196 9.351 5.341 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.788 8.776 3.471 1.00 0.00 C ATOM 0 H VAL 2 19 -5.377 10.437 1.363 1.00 0.00 H new ATOM 0 HA VAL 2 19 -6.184 11.450 4.048 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.669 8.959 3.309 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -5.197 8.300 5.631 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -4.223 9.789 5.566 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.970 9.881 5.896 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.757 7.736 3.797 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -7.617 9.286 3.962 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.928 8.813 2.391 1.00 0.00 H new ATOM 1159 N ASP 2 20 -3.777 12.423 2.573 1.00 0.00 N ATOM 1160 CA ASP 2 20 -2.512 13.138 2.597 1.00 0.00 C ATOM 1161 C ASP 2 20 -1.448 12.262 3.261 1.00 0.00 C ATOM 1162 O ASP 2 20 -1.192 12.390 4.458 1.00 0.00 O ATOM 1163 CB ASP 2 20 -2.626 14.435 3.401 1.00 0.00 C ATOM 1164 CG ASP 2 20 -1.307 14.960 3.973 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 -0.367 15.128 3.168 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 -1.270 15.179 5.203 1.00 0.00 O ATOM 0 H ASP 2 20 -4.352 12.601 1.749 1.00 0.00 H new ATOM 0 HA ASP 2 20 -2.240 13.375 1.568 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -3.059 15.204 2.762 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -3.323 14.275 4.224 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.857 11.391 2.457 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.172 10.493 2.952 1.00 0.00 C ATOM 1173 C CYS 2 21 1.191 11.319 3.740 1.00 0.00 C ATOM 1174 O CYS 2 21 1.721 10.859 4.751 1.00 0.00 O ATOM 1175 CB CYS 2 21 0.831 9.706 1.817 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.536 8.092 2.311 1.00 0.00 S ATOM 0 H CYS 2 21 -1.071 11.288 1.465 1.00 0.00 H new ATOM 0 HA CYS 2 21 -0.277 9.748 3.609 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.092 9.539 1.033 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 1.624 10.316 1.384 1.00 0.00 H new ATOM 1181 N GLY 2 22 1.436 12.525 3.247 1.00 0.00 N ATOM 1182 CA GLY 2 22 2.382 13.420 3.893 1.00 0.00 C ATOM 1183 C GLY 2 22 3.655 12.673 4.296 1.00 0.00 C ATOM 1184 O GLY 2 22 3.992 12.607 5.477 1.00 0.00 O ATOM 0 H GLY 2 22 0.996 12.903 2.408 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 2.634 14.238 3.218 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 1.923 13.865 4.775 1.00 0.00 H new ATOM 1188 N TYR 2 23 4.327 12.130 3.292 1.00 0.00 N ATOM 1189 CA TYR 2 23 5.556 11.390 3.527 1.00 0.00 C ATOM 1190 C TYR 2 23 6.775 12.311 3.439 1.00 0.00 C ATOM 1191 O TYR 2 23 6.769 13.286 2.688 1.00 0.00 O ATOM 1192 CB TYR 2 23 5.640 10.346 2.412 1.00 0.00 C ATOM 1193 CG TYR 2 23 5.222 8.940 2.844 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 5.546 8.481 4.105 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 4.522 8.128 1.974 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 5.153 7.156 4.512 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.130 6.804 2.380 1.00 0.00 C ATOM 1198 CZ TYR 2 23 4.465 6.384 3.630 1.00 0.00 C ATOM 1199 OH TYR 2 23 4.095 5.133 4.014 1.00 0.00 O ATOM 0 H TYR 2 23 4.044 12.187 2.314 1.00 0.00 H new ATOM 0 HA TYR 2 23 5.550 10.941 4.520 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.008 10.663 1.583 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.663 10.311 2.037 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.094 9.115 4.786 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.268 8.487 0.987 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 5.400 6.785 5.496 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 3.583 6.159 1.708 1.00 0.00 H new ATOM 0 HH TYR 2 23 3.609 4.697 3.283 1.00 0.00 H new ATOM 1209 N PRO 2 24 7.817 11.961 4.239 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.041 12.744 4.259 1.00 0.00 C ATOM 1211 C PRO 2 24 9.875 12.492 3.001 1.00 0.00 C ATOM 1212 O PRO 2 24 10.911 13.124 2.802 1.00 0.00 O ATOM 1213 CB PRO 2 24 9.752 12.330 5.536 1.00 0.00 C ATOM 1214 CG PRO 2 24 9.135 11.003 5.945 1.00 0.00 C ATOM 1215 CD PRO 2 24 7.860 10.815 5.141 1.00 0.00 C ATOM 0 HA PRO 2 24 8.853 13.818 4.254 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 10.824 12.227 5.370 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 9.620 13.079 6.317 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 9.830 10.185 5.756 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 8.917 10.996 7.013 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 7.876 9.876 4.588 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 6.984 10.788 5.789 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.391 11.567 2.185 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.079 11.223 0.953 1.00 0.00 C ATOM 1225 C HIS 2 25 9.110 11.339 -0.225 1.00 0.00 C ATOM 1226 O HIS 2 25 9.409 10.882 -1.328 1.00 0.00 O ATOM 1227 CB HIS 2 25 10.722 9.838 1.057 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.008 9.816 1.848 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.217 9.422 1.302 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 12.261 10.146 3.147 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.148 9.513 2.240 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 13.554 9.960 3.383 1.00 0.00 N ATOM 0 H HIS 2 25 8.531 11.045 2.353 1.00 0.00 H new ATOM 0 HA HIS 2 25 10.894 11.926 0.780 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.011 9.153 1.519 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.919 9.464 0.052 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 11.533 10.499 3.862 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.195 9.275 2.120 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 14.025 10.124 4.273 1.00 0.00 H new ATOM 1241 N VAL 2 26 7.967 11.952 0.047 1.00 0.00 N ATOM 1242 CA VAL 2 26 6.952 12.133 -0.976 1.00 0.00 C ATOM 1243 C VAL 2 26 7.629 12.474 -2.305 1.00 0.00 C ATOM 1244 O VAL 2 26 8.264 13.519 -2.432 1.00 0.00 O ATOM 1245 CB VAL 2 26 5.943 13.193 -0.530 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 6.651 14.387 0.116 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.067 13.644 -1.701 1.00 0.00 C ATOM 0 H VAL 2 26 7.722 12.330 0.962 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.390 11.211 -1.124 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.294 12.742 0.220 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 5.911 15.126 0.424 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 7.211 14.050 0.988 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 7.335 14.837 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 4.359 14.397 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 5.696 14.068 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.521 12.788 -2.098 1.00 0.00 H new ATOM 1257 N THR 2 27 7.469 11.572 -3.262 1.00 0.00 N ATOM 1258 CA THR 2 27 8.057 11.764 -4.576 1.00 0.00 C ATOM 1259 C THR 2 27 7.423 10.808 -5.590 1.00 0.00 C ATOM 1260 O THR 2 27 6.830 9.800 -5.210 1.00 0.00 O ATOM 1261 CB THR 2 27 9.572 11.593 -4.447 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.106 12.781 -5.025 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.113 10.470 -5.334 1.00 0.00 C ATOM 0 H THR 2 27 6.941 10.706 -3.153 1.00 0.00 H new ATOM 0 HA THR 2 27 7.859 12.767 -4.954 1.00 0.00 H new ATOM 0 HB THR 2 27 9.826 11.388 -3.407 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.085 12.755 -4.982 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.192 10.392 -5.204 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.644 9.527 -5.053 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.888 10.690 -6.378 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.572 11.169 -6.892 1.00 0.00 N ATOM 1272 CA PRO 2 28 7.020 10.355 -7.962 1.00 0.00 C ATOM 1273 C PRO 2 28 7.859 9.094 -8.180 1.00 0.00 C ATOM 1274 O PRO 2 28 8.216 8.768 -9.311 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.994 11.268 -9.178 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.956 12.403 -8.866 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.267 12.357 -7.379 1.00 0.00 C ATOM 0 HA PRO 2 28 6.020 9.986 -7.736 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 7.301 10.732 -10.076 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.988 11.647 -9.361 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.870 12.300 -9.450 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.514 13.363 -9.134 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.340 12.289 -7.201 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.916 13.256 -6.873 1.00 0.00 H new ATOM 1285 N LYS 2 29 8.150 8.418 -7.077 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.940 7.199 -7.133 1.00 0.00 C ATOM 1287 C LYS 2 29 9.065 6.614 -5.726 1.00 0.00 C ATOM 1288 O LYS 2 29 9.426 5.448 -5.565 1.00 0.00 O ATOM 1289 CB LYS 2 29 10.285 7.464 -7.813 1.00 0.00 C ATOM 1290 CG LYS 2 29 10.784 6.217 -8.545 1.00 0.00 C ATOM 1291 CD LYS 2 29 11.530 6.595 -9.826 1.00 0.00 C ATOM 1292 CE LYS 2 29 12.425 5.448 -10.298 1.00 0.00 C ATOM 1293 NZ LYS 2 29 13.307 5.898 -11.399 1.00 0.00 N ATOM 0 H LYS 2 29 7.853 8.691 -6.140 1.00 0.00 H new ATOM 0 HA LYS 2 29 8.442 6.448 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 10.184 8.288 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 11.019 7.771 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 11.443 5.646 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.940 5.572 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 10.813 6.847 -10.608 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 12.135 7.484 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 13.028 5.084 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 11.810 4.614 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 13.908 5.107 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 12.726 6.224 -12.198 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 13.907 6.679 -11.066 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.762 7.448 -4.743 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.837 7.028 -3.353 1.00 0.00 C ATOM 1309 C GLU 2 30 7.439 6.704 -2.822 1.00 0.00 C ATOM 1310 O GLU 2 30 7.248 5.697 -2.142 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.519 8.094 -2.494 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.955 7.689 -2.156 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.960 8.489 -2.987 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.045 9.714 -2.751 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.621 7.857 -3.840 1.00 0.00 O ATOM 0 H GLU 2 30 8.464 8.414 -4.881 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.443 6.124 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.521 9.047 -3.024 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 8.953 8.242 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.143 7.853 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.090 6.624 -2.343 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.500 7.579 -3.149 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.125 7.400 -2.711 1.00 0.00 C ATOM 1324 C CYS 2 31 4.631 6.046 -3.227 1.00 0.00 C ATOM 1325 O CYS 2 31 4.191 5.204 -2.446 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.229 8.550 -3.176 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.650 10.184 -2.470 1.00 0.00 S ATOM 0 H CYS 2 31 6.663 8.414 -3.712 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.082 7.411 -1.622 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.280 8.615 -4.263 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.196 8.314 -2.919 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.718 5.880 -4.538 1.00 0.00 N ATOM 1333 CA ASN 2 32 4.285 4.644 -5.166 1.00 0.00 C ATOM 1334 C ASN 2 32 5.121 3.482 -4.627 1.00 0.00 C ATOM 1335 O ASN 2 32 4.784 2.318 -4.839 1.00 0.00 O ATOM 1336 CB ASN 2 32 4.477 4.699 -6.684 1.00 0.00 C ATOM 1337 CG ASN 2 32 3.221 5.232 -7.375 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.757 4.702 -8.371 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 2.697 6.308 -6.794 1.00 0.00 N ATOM 0 H ASN 2 32 5.082 6.581 -5.183 1.00 0.00 H new ATOM 0 HA ASN 2 32 3.228 4.505 -4.941 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 5.327 5.337 -6.924 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 4.709 3.703 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.857 6.739 -7.181 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 3.135 6.702 -5.962 1.00 0.00 H new ATOM 1346 N ASN 2 33 6.196 3.838 -3.939 1.00 0.00 N ATOM 1347 CA ASN 2 33 7.084 2.840 -3.367 1.00 0.00 C ATOM 1348 C ASN 2 33 6.670 2.564 -1.920 1.00 0.00 C ATOM 1349 O ASN 2 33 6.864 1.459 -1.414 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.533 3.330 -3.359 1.00 0.00 C ATOM 1351 CG ASN 2 33 9.506 2.164 -3.173 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 9.127 1.005 -3.144 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.777 2.535 -3.050 1.00 0.00 N ATOM 0 H ASN 2 33 6.472 4.804 -3.765 1.00 0.00 H new ATOM 0 HA ASN 2 33 7.012 1.938 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.752 3.845 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.671 4.055 -2.557 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 11.504 1.831 -2.922 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 11.025 3.524 -3.083 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.107 3.588 -1.294 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.664 3.470 0.084 1.00 0.00 C ATOM 1362 C ARG 2 34 4.235 2.924 0.138 1.00 0.00 C ATOM 1363 O ARG 2 34 3.838 2.312 1.128 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.714 4.823 0.797 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.039 5.537 0.526 1.00 0.00 C ATOM 1366 CD ARG 2 34 7.780 5.831 1.831 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.214 5.495 1.687 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.072 5.412 2.712 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 9.648 5.640 3.963 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.356 5.100 2.487 1.00 0.00 N ATOM 0 H ARG 2 34 5.948 4.503 -1.716 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.339 2.780 0.591 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 4.886 5.446 0.460 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 5.588 4.678 1.870 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.663 4.920 -0.120 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.852 6.469 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 7.669 6.883 2.092 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 7.343 5.253 2.645 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.571 5.315 0.749 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 8.671 5.877 4.135 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 10.302 5.576 4.743 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.679 4.926 1.535 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.010 5.037 3.267 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.502 3.168 -0.938 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.127 2.709 -1.027 1.00 0.00 C ATOM 1386 C GLY 2 35 1.161 3.890 -1.149 1.00 0.00 C ATOM 1387 O GLY 2 35 0.000 3.790 -0.755 1.00 0.00 O ATOM 0 H GLY 2 35 3.835 3.678 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 2.014 2.052 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.878 2.121 -0.144 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.678 4.981 -1.696 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.876 6.179 -1.876 1.00 0.00 C ATOM 1393 C CYS 2 36 0.885 6.545 -3.361 1.00 0.00 C ATOM 1394 O CYS 2 36 1.694 6.024 -4.128 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.378 7.331 -1.002 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.313 7.012 0.799 1.00 0.00 S ATOM 0 H CYS 2 36 2.642 5.060 -2.020 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.148 5.986 -1.557 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.407 7.557 -1.280 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 0.786 8.220 -1.221 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.026 7.436 -3.724 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.134 7.877 -5.104 1.00 0.00 C ATOM 1403 C CYS 2 37 0.284 9.348 -5.172 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.302 10.195 -4.500 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.542 7.658 -5.659 1.00 0.00 C ATOM 1406 SG CYS 2 37 -1.601 7.065 -7.389 1.00 0.00 S ATOM 0 H CYS 2 37 -0.696 7.865 -3.086 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.529 7.282 -5.732 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.059 6.938 -5.025 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.094 8.596 -5.592 1.00 0.00 H new ATOM 0 HG CYS 2 37 -2.840 6.912 -7.753 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.294 9.606 -5.990 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.797 10.958 -6.155 1.00 0.00 C ATOM 1413 C PHE 2 38 1.019 11.704 -7.243 1.00 0.00 C ATOM 1414 O PHE 2 38 0.959 11.254 -8.385 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.262 10.842 -6.580 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.028 12.166 -6.542 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.451 12.672 -5.353 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.287 12.837 -7.696 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.162 13.902 -5.317 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.998 14.065 -7.661 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.421 14.571 -6.472 1.00 0.00 C ATOM 0 H PHE 2 38 1.777 8.901 -6.546 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.687 11.512 -5.223 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.763 10.126 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 3.305 10.438 -7.591 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.247 12.139 -4.436 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.951 12.435 -8.641 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.496 14.305 -4.373 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 5.203 14.597 -8.578 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.963 15.505 -6.445 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.445 12.830 -6.847 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.326 13.642 -7.774 1.00 0.00 C ATOM 1433 C ASP 2 39 0.599 14.656 -8.448 1.00 0.00 C ATOM 1434 O ASP 2 39 1.055 14.437 -9.570 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.426 14.417 -7.044 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.225 15.383 -7.920 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.940 14.880 -8.813 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -2.103 16.603 -7.676 1.00 0.00 O ATOM 0 H ASP 2 39 0.498 13.199 -5.898 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.780 12.976 -8.508 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.116 13.703 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.973 14.980 -6.228 1.00 0.00 H new ATOM 1443 N SER 2 40 0.851 15.745 -7.735 1.00 0.00 N ATOM 1444 CA SER 2 40 1.714 16.794 -8.251 1.00 0.00 C ATOM 1445 C SER 2 40 0.901 17.769 -9.104 1.00 0.00 C ATOM 1446 O SER 2 40 1.369 18.861 -9.422 1.00 0.00 O ATOM 1447 CB SER 2 40 2.867 16.207 -9.069 1.00 0.00 C ATOM 1448 OG SER 2 40 4.074 16.942 -8.893 1.00 0.00 O ATOM 0 H SER 2 40 0.473 15.923 -6.805 1.00 0.00 H new ATOM 0 HA SER 2 40 2.142 17.331 -7.405 1.00 0.00 H new ATOM 0 HB2 SER 2 40 3.028 15.170 -8.776 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.596 16.202 -10.125 1.00 0.00 H new ATOM 0 HG SER 2 40 4.709 16.408 -8.372 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.304 17.339 -9.451 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.187 18.161 -10.261 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.608 19.412 -9.486 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.660 20.506 -10.047 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.437 17.382 -10.676 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.067 16.168 -11.531 1.00 0.00 C ATOM 1460 CD ARG 2 41 -2.948 16.089 -12.780 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.637 17.214 -13.690 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.010 17.264 -14.977 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -3.709 16.254 -15.512 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.684 18.325 -15.727 1.00 0.00 N ATOM 0 H ARG 2 41 -0.689 16.432 -9.186 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.639 18.452 -11.157 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.978 17.055 -9.788 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.108 18.034 -11.235 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.019 16.231 -11.824 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.180 15.257 -10.944 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -2.784 15.141 -13.292 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.000 16.120 -12.496 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.106 18.000 -13.315 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -3.958 15.447 -14.940 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -3.993 16.292 -16.491 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.152 19.094 -15.319 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -2.967 18.364 -16.706 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.898 19.208 -8.209 1.00 0.00 N ATOM 1479 CA ILE 2 42 -2.313 20.306 -7.353 1.00 0.00 C ATOM 1480 C ILE 2 42 -1.364 20.399 -6.156 1.00 0.00 C ATOM 1481 O ILE 2 42 -1.366 19.527 -5.288 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.785 20.152 -6.960 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.552 19.352 -8.014 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -4.426 21.516 -6.695 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -6.046 19.302 -7.683 1.00 0.00 C ATOM 0 H ILE 2 42 -1.854 18.300 -7.747 1.00 0.00 H new ATOM 0 HA ILE 2 42 -2.247 21.253 -7.888 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.834 19.587 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.408 19.804 -8.995 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.154 18.339 -8.068 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -5.471 21.379 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -3.897 22.015 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -4.367 22.127 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.569 18.728 -8.448 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -6.188 18.827 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -6.446 20.315 -7.653 1.00 0.00 H new ATOM 1497 N PRO 2 43 -0.555 21.492 -6.149 1.00 0.00 N ATOM 1498 CA PRO 2 43 0.398 21.710 -5.073 1.00 0.00 C ATOM 1499 C PRO 2 43 -0.311 22.183 -3.802 1.00 0.00 C ATOM 1500 O PRO 2 43 0.318 22.329 -2.755 1.00 0.00 O ATOM 1501 CB PRO 2 43 1.381 22.732 -5.620 1.00 0.00 C ATOM 1502 CG PRO 2 43 0.684 23.393 -6.799 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.525 22.544 -7.160 1.00 0.00 C ATOM 0 HA PRO 2 43 0.916 20.798 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 1.643 23.467 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.308 22.253 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 0.376 24.406 -6.541 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.362 23.472 -7.648 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -1.442 23.134 -7.145 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.431 22.127 -8.163 1.00 0.00 H new ATOM 1511 N GLY 2 44 -1.609 22.411 -3.936 1.00 0.00 N ATOM 1512 CA GLY 2 44 -2.409 22.864 -2.811 1.00 0.00 C ATOM 1513 C GLY 2 44 -3.004 21.679 -2.047 1.00 0.00 C ATOM 1514 O GLY 2 44 -3.589 21.853 -0.980 1.00 0.00 O ATOM 0 H GLY 2 44 -2.127 22.291 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -1.793 23.461 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -3.211 23.511 -3.168 1.00 0.00 H new ATOM 1518 N VAL 2 45 -2.833 20.499 -2.625 1.00 0.00 N ATOM 1519 CA VAL 2 45 -3.344 19.285 -2.013 1.00 0.00 C ATOM 1520 C VAL 2 45 -2.188 18.313 -1.772 1.00 0.00 C ATOM 1521 O VAL 2 45 -1.033 18.638 -2.041 1.00 0.00 O ATOM 1522 CB VAL 2 45 -4.455 18.689 -2.881 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -5.282 19.792 -3.546 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.880 17.729 -3.924 1.00 0.00 C ATOM 0 H VAL 2 45 -2.348 20.358 -3.511 1.00 0.00 H new ATOM 0 HA VAL 2 45 -3.790 19.506 -1.043 1.00 0.00 H new ATOM 0 HB VAL 2 45 -5.119 18.118 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -6.064 19.342 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -5.736 20.419 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -4.635 20.402 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.690 17.320 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -3.184 18.266 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -3.356 16.916 -3.421 1.00 0.00 H new ATOM 1534 N PRO 2 46 -2.548 17.108 -1.253 1.00 0.00 N ATOM 1535 CA PRO 2 46 -1.553 16.086 -0.973 1.00 0.00 C ATOM 1536 C PRO 2 46 -1.068 15.425 -2.265 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.851 14.799 -2.978 1.00 0.00 O ATOM 1538 CB PRO 2 46 -2.244 15.113 -0.030 1.00 0.00 C ATOM 1539 CG PRO 2 46 -3.734 15.369 -0.186 1.00 0.00 C ATOM 1540 CD PRO 2 46 -3.907 16.688 -0.922 1.00 0.00 C ATOM 0 HA PRO 2 46 -0.650 16.491 -0.515 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.996 14.082 -0.282 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -1.926 15.274 1.000 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -4.204 14.558 -0.741 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -4.218 15.410 0.790 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -4.513 16.564 -1.820 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -4.409 17.427 -0.298 1.00 0.00 H new ATOM 1548 N TRP 2 47 0.221 15.587 -2.526 1.00 0.00 N ATOM 1549 CA TRP 2 47 0.820 15.012 -3.719 1.00 0.00 C ATOM 1550 C TRP 2 47 1.341 13.618 -3.363 1.00 0.00 C ATOM 1551 O TRP 2 47 2.293 13.134 -3.971 1.00 0.00 O ATOM 1552 CB TRP 2 47 1.906 15.930 -4.283 1.00 0.00 C ATOM 1553 CG TRP 2 47 1.954 17.313 -3.628 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 1.129 18.349 -3.831 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 2.914 17.770 -2.653 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 1.486 19.437 -3.061 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 2.605 19.073 -2.321 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.006 17.105 -2.070 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 3.340 19.823 -1.395 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 4.730 17.867 -1.146 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 4.433 19.180 -0.801 1.00 0.00 C ATOM 0 H TRP 2 47 0.867 16.108 -1.932 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.080 14.914 -4.513 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 2.875 15.447 -4.160 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 1.744 16.052 -5.354 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 0.290 18.334 -4.511 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 1.015 20.342 -3.039 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 4.266 16.086 -2.316 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 3.078 20.842 -1.152 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 5.579 17.402 -0.667 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 5.042 19.702 -0.078 1.00 0.00 H new ATOM 1572 N CYS 2 48 0.693 13.013 -2.378 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.079 11.684 -1.934 1.00 0.00 C ATOM 1574 C CYS 2 48 0.022 11.181 -0.949 1.00 0.00 C ATOM 1575 O CYS 2 48 0.016 11.578 0.216 1.00 0.00 O ATOM 1576 CB CYS 2 48 2.481 11.678 -1.320 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.155 10.014 -0.965 1.00 0.00 S ATOM 0 H CYS 2 48 -0.096 13.418 -1.875 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.126 11.011 -2.790 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.162 12.193 -1.998 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 2.459 12.251 -0.393 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.847 10.317 -1.451 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.906 9.756 -0.629 1.00 0.00 C ATOM 1584 C PHE 2 49 -2.088 8.264 -0.914 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.248 7.644 -1.564 1.00 0.00 O ATOM 1586 CB PHE 2 49 -3.195 10.495 -0.995 1.00 0.00 C ATOM 1587 CG PHE 2 49 -3.232 11.003 -2.438 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -2.350 11.954 -2.847 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -4.149 10.505 -3.310 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -2.385 12.425 -4.185 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -4.184 10.977 -4.648 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -3.302 11.927 -5.058 1.00 0.00 C ATOM 0 H PHE 2 49 -0.840 9.991 -2.418 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.658 9.869 0.426 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -4.042 9.829 -0.833 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -3.321 11.341 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.623 12.351 -2.154 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.850 9.751 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.684 13.179 -4.510 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.912 10.581 -5.341 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.329 12.286 -6.076 1.00 0.00 H new ATOM 1602 N LYS 2 50 -3.193 7.730 -0.414 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.498 6.322 -0.607 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.844 6.189 -1.322 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.817 5.716 -0.737 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.432 5.572 0.725 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.423 6.548 1.904 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.008 7.056 2.184 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.028 5.892 2.336 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.646 4.791 3.109 1.00 0.00 N ATOM 0 H LYS 2 50 -3.888 8.247 0.124 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.750 5.855 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -4.286 4.900 0.811 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.535 4.953 0.754 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.080 7.391 1.688 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.819 6.055 2.792 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.683 7.706 1.371 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.007 7.658 3.093 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.729 5.530 1.352 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.123 6.234 2.839 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.904 4.255 3.603 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -2.310 5.186 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.158 4.158 2.462 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.857 6.626 -2.610 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.068 6.560 -3.410 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.352 5.125 -3.858 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.943 4.345 -3.113 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.822 7.507 -4.574 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.317 7.710 -4.635 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.724 7.191 -3.335 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.957 6.856 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.197 7.085 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.338 8.455 -4.422 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -3.894 7.178 -5.487 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.079 8.765 -4.769 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.958 6.438 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.251 7.993 -2.768 1.00 0.00 H new ATOM 1638 N LEU 2 52 -5.917 4.820 -5.072 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.118 3.492 -5.627 1.00 0.00 C ATOM 1640 C LEU 2 52 -4.871 2.645 -5.373 1.00 0.00 C ATOM 1641 O LEU 2 52 -4.424 1.913 -6.255 1.00 0.00 O ATOM 1642 CB LEU 2 52 -6.511 3.583 -7.104 1.00 0.00 C ATOM 1643 CG LEU 2 52 -5.365 3.466 -8.110 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -5.258 2.039 -8.654 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -5.512 4.497 -9.230 1.00 0.00 C ATOM 0 H LEU 2 52 -5.426 5.469 -5.687 1.00 0.00 H new ATOM 0 HA LEU 2 52 -6.950 2.992 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -7.236 2.797 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.016 4.535 -7.267 1.00 0.00 H new ATOM 0 HG LEU 2 52 -4.431 3.685 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -4.436 1.982 -9.367 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -5.073 1.349 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -6.189 1.769 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -4.684 4.392 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -6.454 4.334 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -5.502 5.500 -8.804 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.344 2.771 -4.165 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.156 2.026 -3.783 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.415 0.522 -3.896 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.477 -0.266 -4.009 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.702 2.400 -2.372 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.325 3.881 -2.291 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.219 4.219 -3.293 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.250 5.232 -3.973 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.242 3.317 -3.346 1.00 0.00 N ATOM 0 H GLN 2 53 -4.718 3.379 -3.436 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.350 2.290 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.499 2.185 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.847 1.787 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.203 4.495 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.992 4.121 -1.281 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.278 2.491 -2.749 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.543 3.452 -3.984 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.691 0.169 -3.861 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.085 -1.227 -3.957 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.372 -1.899 -5.131 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.228 -3.120 -5.158 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.604 -1.359 -4.089 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.316 -0.708 -2.901 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.812 -1.030 -2.915 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.467 -0.639 -3.906 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.266 -1.660 -1.936 1.00 0.00 O ATOM 0 H GLU 2 54 -5.466 0.825 -3.767 1.00 0.00 H new ATOM 0 HA GLU 2 54 -4.788 -1.733 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -6.934 -0.891 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -6.877 -2.412 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -6.873 -1.060 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.172 0.372 -2.934 1.00 0.00 H new ATOM 1689 N ALA 2 55 -3.944 -1.073 -6.075 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.250 -1.573 -7.249 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.425 -2.803 -6.863 1.00 0.00 C ATOM 1692 O ALA 2 55 -2.634 -3.888 -7.402 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.389 -0.458 -7.846 1.00 0.00 C ATOM 0 H ALA 2 55 -4.065 -0.060 -6.050 1.00 0.00 H new ATOM 0 HA ALA 2 55 -3.963 -1.881 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -1.868 -0.833 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.025 0.380 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -1.660 -0.126 -7.107 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.505 -2.590 -5.933 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.649 -3.669 -5.470 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.207 -3.413 -4.027 1.00 0.00 C ATOM 1702 O GLU 2 56 0.808 -3.945 -3.581 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.560 -3.844 -6.390 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.292 -4.912 -7.451 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.494 -5.074 -8.383 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 2.615 -5.210 -7.846 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.266 -5.059 -9.612 1.00 0.00 O ATOM 0 H GLU 2 56 -1.334 -1.688 -5.489 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.221 -4.597 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.793 -2.896 -6.874 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.433 -4.124 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.072 -5.863 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.589 -4.639 -8.032 1.00 0.00 H new ATOM 1714 N CYS 2 57 -0.992 -2.598 -3.337 1.00 0.00 N ATOM 1715 CA CYS 2 57 -0.694 -2.265 -1.955 1.00 0.00 C ATOM 1716 C CYS 2 57 -1.665 -3.033 -1.056 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.251 -3.901 -0.288 1.00 0.00 O ATOM 1718 CB CYS 2 57 -0.762 -0.755 -1.709 1.00 0.00 C ATOM 1719 SG CYS 2 57 0.635 -0.072 -0.744 1.00 0.00 S ATOM 0 H CYS 2 57 -1.834 -2.159 -3.710 1.00 0.00 H new ATOM 0 HA CYS 2 57 0.329 -2.560 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -0.804 -0.246 -2.672 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -1.692 -0.527 -1.187 1.00 0.00 H new ATOM 1724 N THR 2 58 -2.937 -2.687 -1.181 1.00 0.00 N ATOM 1725 CA THR 2 58 -3.970 -3.333 -0.390 1.00 0.00 C ATOM 1726 C THR 2 58 -3.945 -4.847 -0.614 1.00 0.00 C ATOM 1727 O THR 2 58 -3.891 -5.619 0.342 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.312 -2.689 -0.745 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.073 -2.788 0.455 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.106 -3.511 -1.761 1.00 0.00 C ATOM 0 H THR 2 58 -3.276 -1.967 -1.819 1.00 0.00 H new ATOM 0 HA THR 2 58 -3.797 -3.190 0.677 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.140 -1.689 -1.144 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.004 -2.541 0.273 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.049 -3.009 -1.978 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.528 -3.610 -2.680 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.307 -4.501 -1.351 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.987 -5.225 -1.884 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.968 -6.632 -2.245 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.072 -7.431 -1.298 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.746 -8.585 -1.572 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.401 -6.722 -3.663 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.214 -7.611 -4.605 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.248 -7.084 -5.315 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.906 -8.930 -4.731 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.002 -7.909 -6.189 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.662 -9.756 -5.605 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.694 -9.227 -6.316 1.00 0.00 C ATOM 0 H PHE 2 59 -4.034 -4.582 -2.674 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.975 -7.045 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.346 -5.719 -4.085 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.381 -7.103 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.495 -6.038 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.086 -9.349 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.821 -7.490 -6.754 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -4.418 -10.803 -5.705 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -6.269 -9.854 -6.981 1.00 0.00 H new