USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : 1 23 TYR OH : rot 30:sc= -1.22 USER MOD Single : 1 25 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=-0.26) USER MOD Single : 1 27 THR OG1 : rot 57:sc= 0.187 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.574 F(o=-2.9!,f=-0.57) USER MOD Single : 1 33 ASN : amide:sc= -0.0315 X(o=-0.032,f=-0.032) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.215 USER MOD Single : 1 40 SER OG : rot 100:sc= 0.458 USER MOD Single : 1 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 53 GLN : amide:sc= -12.3! C(o=-12!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -38:sc= -1.44 USER MOD Single : 2 23 TYR OH : rot 30:sc= -1.36! USER MOD Single : 2 25 HIS : no HE2:sc= 0.00922 X(o=0.0092,f=-0.32) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.419 F(o=-1.9,f=-0.42) USER MOD Single : 2 33 ASN : amide:sc=-0.00989 X(o=-0.0099,f=-0.013) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0938 USER MOD Single : 2 40 SER OG : rot 180:sc= -0.123 USER MOD Single : 2 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 53 GLN : amide:sc= -12.9! C(o=-13!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.83! USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.906 -16.266 -2.219 1.00 0.00 N ATOM 229 CA ASP 1 17 0.810 -15.525 -2.822 1.00 0.00 C ATOM 230 C ASP 1 17 1.063 -14.025 -2.655 1.00 0.00 C ATOM 231 O ASP 1 17 0.176 -13.212 -2.909 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.520 -15.859 -2.143 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.764 -15.365 -2.883 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.579 -14.666 -3.902 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.874 -15.697 -2.412 1.00 0.00 O ATOM 0 HA ASP 1 17 0.756 -15.800 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.590 -16.941 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.517 -15.430 -1.141 1.00 0.00 H new ATOM 240 N ARG 1 18 2.276 -13.705 -2.231 1.00 0.00 N ATOM 241 CA ARG 1 18 2.655 -12.317 -2.027 1.00 0.00 C ATOM 242 C ARG 1 18 3.297 -11.751 -3.296 1.00 0.00 C ATOM 243 O ARG 1 18 3.378 -12.437 -4.314 1.00 0.00 O ATOM 244 CB ARG 1 18 3.638 -12.181 -0.863 1.00 0.00 C ATOM 245 CG ARG 1 18 3.166 -12.981 0.351 1.00 0.00 C ATOM 246 CD ARG 1 18 4.339 -13.686 1.035 1.00 0.00 C ATOM 247 NE ARG 1 18 3.859 -14.438 2.216 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.591 -14.653 3.318 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.841 -14.174 3.396 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.074 -15.345 4.341 1.00 0.00 N ATOM 0 H ARG 1 18 3.009 -14.383 -2.023 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.750 -11.756 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.623 -12.530 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.743 -11.130 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.674 -12.315 1.060 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.426 -13.718 0.039 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.825 -14.365 0.334 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.087 -12.954 1.339 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.912 -14.816 2.190 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.234 -13.646 2.617 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.398 -14.337 4.234 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.123 -15.709 4.282 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.631 -15.509 5.180 1.00 0.00 H new ATOM 264 N VAL 1 19 3.734 -10.505 -3.194 1.00 0.00 N ATOM 265 CA VAL 1 19 4.365 -9.838 -4.321 1.00 0.00 C ATOM 266 C VAL 1 19 5.801 -9.465 -3.948 1.00 0.00 C ATOM 267 O VAL 1 19 6.386 -8.563 -4.545 1.00 0.00 O ATOM 268 CB VAL 1 19 3.527 -8.634 -4.753 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.966 -8.125 -6.127 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.035 -8.974 -4.745 1.00 0.00 C ATOM 0 H VAL 1 19 3.664 -9.939 -2.348 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.416 -10.506 -5.181 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.692 -7.834 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.354 -7.269 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 5.013 -7.825 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.844 -8.918 -6.865 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.461 -8.101 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.846 -9.797 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.734 -9.267 -3.739 1.00 0.00 H new ATOM 280 N ASP 1 20 6.327 -10.177 -2.962 1.00 0.00 N ATOM 281 CA ASP 1 20 7.684 -9.930 -2.502 1.00 0.00 C ATOM 282 C ASP 1 20 8.003 -8.441 -2.644 1.00 0.00 C ATOM 283 O ASP 1 20 8.486 -8.003 -3.687 1.00 0.00 O ATOM 284 CB ASP 1 20 8.698 -10.713 -3.337 1.00 0.00 C ATOM 285 CG ASP 1 20 10.079 -10.063 -3.453 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.810 -10.102 -2.441 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.371 -9.544 -4.551 1.00 0.00 O ATOM 0 H ASP 1 20 5.839 -10.925 -2.469 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.751 -10.248 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.815 -11.705 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.292 -10.850 -4.339 1.00 0.00 H new ATOM 292 N CYS 1 21 7.721 -7.703 -1.581 1.00 0.00 N ATOM 293 CA CYS 1 21 7.972 -6.272 -1.573 1.00 0.00 C ATOM 294 C CYS 1 21 9.432 -6.039 -1.971 1.00 0.00 C ATOM 295 O CYS 1 21 9.748 -5.050 -2.631 1.00 0.00 O ATOM 296 CB CYS 1 21 7.644 -5.646 -0.216 1.00 0.00 C ATOM 297 SG CYS 1 21 6.808 -4.021 -0.303 1.00 0.00 S ATOM 0 H CYS 1 21 7.320 -8.070 -0.718 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.316 -5.782 -2.292 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 7.011 -6.335 0.343 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.569 -5.533 0.349 1.00 0.00 H new ATOM 302 N GLY 1 22 10.281 -6.966 -1.553 1.00 0.00 N ATOM 303 CA GLY 1 22 11.699 -6.873 -1.858 1.00 0.00 C ATOM 304 C GLY 1 22 12.289 -5.566 -1.326 1.00 0.00 C ATOM 305 O GLY 1 22 12.900 -4.806 -2.076 1.00 0.00 O ATOM 0 H GLY 1 22 10.015 -7.785 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.226 -7.720 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.847 -6.931 -2.936 1.00 0.00 H new ATOM 309 N TYR 1 23 12.088 -5.346 -0.036 1.00 0.00 N ATOM 310 CA TYR 1 23 12.593 -4.143 0.606 1.00 0.00 C ATOM 311 C TYR 1 23 14.002 -4.367 1.158 1.00 0.00 C ATOM 312 O TYR 1 23 14.289 -5.418 1.729 1.00 0.00 O ATOM 313 CB TYR 1 23 11.642 -3.854 1.770 1.00 0.00 C ATOM 314 CG TYR 1 23 11.248 -2.382 1.899 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.976 -1.638 0.768 1.00 0.00 C ATOM 316 CD2 TYR 1 23 11.162 -1.797 3.146 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.604 -0.252 0.890 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.790 -0.411 3.268 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.529 0.292 2.134 1.00 0.00 C ATOM 320 OH TYR 1 23 10.178 1.601 2.249 1.00 0.00 O ATOM 0 H TYR 1 23 11.582 -5.980 0.583 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.643 -3.320 -0.107 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.739 -4.452 1.645 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.112 -4.177 2.699 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.042 -2.095 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.374 -2.379 4.031 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.390 0.342 0.014 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.720 0.059 4.238 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.588 1.848 1.507 1.00 0.00 H new ATOM 330 N PRO 1 24 14.867 -3.336 0.962 1.00 0.00 N ATOM 331 CA PRO 1 24 16.240 -3.410 1.435 1.00 0.00 C ATOM 332 C PRO 1 24 16.308 -3.226 2.952 1.00 0.00 C ATOM 333 O PRO 1 24 17.375 -3.361 3.549 1.00 0.00 O ATOM 334 CB PRO 1 24 16.977 -2.322 0.671 1.00 0.00 C ATOM 335 CG PRO 1 24 15.906 -1.379 0.149 1.00 0.00 C ATOM 336 CD PRO 1 24 14.562 -2.076 0.291 1.00 0.00 C ATOM 0 HA PRO 1 24 16.696 -4.384 1.255 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.678 -1.796 1.319 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.557 -2.745 -0.149 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.913 -0.445 0.711 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 16.096 -1.125 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.864 -1.475 0.875 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 14.100 -2.247 -0.681 1.00 0.00 H new ATOM 344 N HIS 1 25 15.157 -2.922 3.532 1.00 0.00 N ATOM 345 CA HIS 1 25 15.072 -2.718 4.968 1.00 0.00 C ATOM 346 C HIS 1 25 13.942 -3.574 5.543 1.00 0.00 C ATOM 347 O HIS 1 25 13.267 -3.165 6.486 1.00 0.00 O ATOM 348 CB HIS 1 25 14.917 -1.232 5.298 1.00 0.00 C ATOM 349 CG HIS 1 25 16.102 -0.387 4.898 1.00 0.00 C ATOM 350 ND1 HIS 1 25 17.411 -0.805 5.062 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.162 0.856 4.337 1.00 0.00 C ATOM 352 CE1 HIS 1 25 18.214 0.151 4.617 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.439 1.179 4.170 1.00 0.00 N ATOM 0 H HIS 1 25 14.274 -2.812 3.033 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.000 -3.040 5.439 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.027 -0.850 4.798 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.752 -1.124 6.370 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.315 1.472 4.074 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 19.294 0.121 4.610 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.783 2.053 3.772 1.00 0.00 H new ATOM 362 N VAL 1 26 13.771 -4.747 4.950 1.00 0.00 N ATOM 363 CA VAL 1 26 12.734 -5.664 5.391 1.00 0.00 C ATOM 364 C VAL 1 26 12.903 -5.938 6.886 1.00 0.00 C ATOM 365 O VAL 1 26 13.956 -6.404 7.321 1.00 0.00 O ATOM 366 CB VAL 1 26 12.766 -6.937 4.543 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.206 -7.381 4.275 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.961 -8.057 5.204 1.00 0.00 C ATOM 0 H VAL 1 26 14.333 -5.083 4.168 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.748 -5.221 5.251 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.300 -6.712 3.583 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.201 -8.288 3.670 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.737 -6.592 3.742 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.708 -7.579 5.222 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.000 -8.950 4.580 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.384 -8.280 6.184 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.924 -7.741 5.320 1.00 0.00 H new ATOM 378 N THR 1 27 11.851 -5.636 7.633 1.00 0.00 N ATOM 379 CA THR 1 27 11.871 -5.844 9.072 1.00 0.00 C ATOM 380 C THR 1 27 10.457 -5.738 9.645 1.00 0.00 C ATOM 381 O THR 1 27 9.608 -5.040 9.090 1.00 0.00 O ATOM 382 CB THR 1 27 12.850 -4.839 9.681 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.911 -5.648 10.182 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.285 -4.152 10.927 1.00 0.00 C ATOM 0 H THR 1 27 10.980 -5.249 7.270 1.00 0.00 H new ATOM 0 HA THR 1 27 12.215 -6.847 9.322 1.00 0.00 H new ATOM 0 HB THR 1 27 13.107 -4.086 8.936 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.286 -6.185 9.453 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.020 -3.449 11.320 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.373 -3.615 10.665 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.059 -4.902 11.685 1.00 0.00 H new ATOM 392 N PRO 1 28 10.240 -6.459 10.778 1.00 0.00 N ATOM 393 CA PRO 1 28 8.942 -6.453 11.432 1.00 0.00 C ATOM 394 C PRO 1 28 8.714 -5.139 12.182 1.00 0.00 C ATOM 395 O PRO 1 28 8.430 -5.145 13.379 1.00 0.00 O ATOM 396 CB PRO 1 28 8.958 -7.665 12.348 1.00 0.00 C ATOM 397 CG PRO 1 28 10.421 -8.037 12.522 1.00 0.00 C ATOM 398 CD PRO 1 28 11.220 -7.295 11.463 1.00 0.00 C ATOM 0 HA PRO 1 28 8.114 -6.515 10.726 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.497 -7.435 13.308 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.394 -8.490 11.913 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.767 -7.768 13.520 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.556 -9.114 12.418 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.009 -6.693 11.912 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.701 -7.988 10.773 1.00 0.00 H new ATOM 406 N LYS 1 29 8.843 -4.044 11.448 1.00 0.00 N ATOM 407 CA LYS 1 29 8.654 -2.726 12.029 1.00 0.00 C ATOM 408 C LYS 1 29 8.875 -1.662 10.952 1.00 0.00 C ATOM 409 O LYS 1 29 8.335 -0.560 11.043 1.00 0.00 O ATOM 410 CB LYS 1 29 9.547 -2.550 13.260 1.00 0.00 C ATOM 411 CG LYS 1 29 9.336 -1.175 13.897 1.00 0.00 C ATOM 412 CD LYS 1 29 9.253 -1.284 15.421 1.00 0.00 C ATOM 413 CE LYS 1 29 10.649 -1.288 16.047 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.599 -1.831 17.423 1.00 0.00 N ATOM 0 H LYS 1 29 9.076 -4.043 10.455 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.631 -2.610 12.387 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.326 -3.330 13.989 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.593 -2.666 12.975 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.156 -0.512 13.620 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.420 -0.728 13.510 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.675 -0.450 15.818 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.725 -2.197 15.696 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 11.325 -1.887 15.438 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 11.049 -0.274 16.064 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 11.555 -1.826 17.833 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.970 -1.243 18.006 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 10.237 -2.806 17.399 1.00 0.00 H new ATOM 428 N GLU 1 30 9.669 -2.029 9.957 1.00 0.00 N ATOM 429 CA GLU 1 30 9.967 -1.119 8.863 1.00 0.00 C ATOM 430 C GLU 1 30 9.013 -1.366 7.693 1.00 0.00 C ATOM 431 O GLU 1 30 8.475 -0.422 7.115 1.00 0.00 O ATOM 432 CB GLU 1 30 11.425 -1.255 8.420 1.00 0.00 C ATOM 433 CG GLU 1 30 12.254 -0.056 8.887 1.00 0.00 C ATOM 434 CD GLU 1 30 13.751 -0.329 8.729 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.232 -1.263 9.407 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.381 0.403 7.935 1.00 0.00 O ATOM 0 H GLU 1 30 10.115 -2.943 9.885 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.822 -0.098 9.215 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.848 -2.174 8.826 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.473 -1.334 7.334 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.979 0.827 8.311 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 12.029 0.162 9.931 1.00 0.00 H new ATOM 443 N CYS 1 31 8.832 -2.640 7.376 1.00 0.00 N ATOM 444 CA CYS 1 31 7.953 -3.022 6.286 1.00 0.00 C ATOM 445 C CYS 1 31 6.527 -2.596 6.644 1.00 0.00 C ATOM 446 O CYS 1 31 5.898 -1.838 5.907 1.00 0.00 O ATOM 447 CB CYS 1 31 8.042 -4.520 5.985 1.00 0.00 C ATOM 448 SG CYS 1 31 9.358 -4.990 4.805 1.00 0.00 S ATOM 0 H CYS 1 31 9.280 -3.421 7.856 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.263 -2.515 5.372 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.205 -5.055 6.921 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.083 -4.854 5.589 1.00 0.00 H new ATOM 453 N ASN 1 32 6.061 -3.100 7.777 1.00 0.00 N ATOM 454 CA ASN 1 32 4.722 -2.781 8.243 1.00 0.00 C ATOM 455 C ASN 1 32 4.609 -1.271 8.461 1.00 0.00 C ATOM 456 O ASN 1 32 3.523 -0.758 8.726 1.00 0.00 O ATOM 457 CB ASN 1 32 4.422 -3.474 9.573 1.00 0.00 C ATOM 458 CG ASN 1 32 3.678 -4.792 9.349 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.369 -5.692 8.654 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.552 -4.980 9.778 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.587 -3.727 8.386 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.012 -3.123 7.490 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.353 -3.664 10.106 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.823 -2.816 10.203 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.078 -4.246 10.304 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.085 -5.871 9.610 1.00 0.00 H new ATOM 467 N ASN 1 33 5.747 -0.601 8.341 1.00 0.00 N ATOM 468 CA ASN 1 33 5.789 0.840 8.523 1.00 0.00 C ATOM 469 C ASN 1 33 5.942 1.516 7.159 1.00 0.00 C ATOM 470 O ASN 1 33 5.526 2.660 6.980 1.00 0.00 O ATOM 471 CB ASN 1 33 6.981 1.251 9.391 1.00 0.00 C ATOM 472 CG ASN 1 33 7.156 2.771 9.396 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.287 3.520 9.810 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.325 3.183 8.915 1.00 0.00 N ATOM 0 H ASN 1 33 6.646 -1.030 8.120 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.864 1.146 9.012 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.833 0.895 10.411 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.889 0.778 9.016 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.538 4.180 8.877 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.009 2.502 8.584 1.00 0.00 H new ATOM 481 N ARG 1 34 6.540 0.781 6.233 1.00 0.00 N ATOM 482 CA ARG 1 34 6.753 1.296 4.890 1.00 0.00 C ATOM 483 C ARG 1 34 5.536 1.003 4.011 1.00 0.00 C ATOM 484 O ARG 1 34 5.280 1.717 3.042 1.00 0.00 O ATOM 485 CB ARG 1 34 7.996 0.673 4.252 1.00 0.00 C ATOM 486 CG ARG 1 34 7.623 -0.536 3.391 1.00 0.00 C ATOM 487 CD ARG 1 34 7.413 -0.125 1.933 1.00 0.00 C ATOM 488 NE ARG 1 34 6.096 -0.604 1.456 1.00 0.00 N ATOM 489 CZ ARG 1 34 5.812 -0.869 0.174 1.00 0.00 C ATOM 490 NH1 ARG 1 34 6.751 -0.703 -0.769 1.00 0.00 N ATOM 491 NH2 ARG 1 34 4.590 -1.300 -0.166 1.00 0.00 N ATOM 0 H ARG 1 34 6.884 -0.167 6.386 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.900 2.373 4.967 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 8.506 1.416 3.640 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.695 0.368 5.031 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.411 -1.287 3.451 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.714 -0.996 3.778 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 7.470 0.960 1.841 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 8.207 -0.540 1.312 1.00 0.00 H new ATOM 0 HE ARG 1 34 5.358 -0.741 2.147 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 7.681 -0.375 -0.510 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 6.535 -0.905 -1.745 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 3.876 -1.426 0.551 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 4.374 -1.502 -1.142 1.00 0.00 H new ATOM 505 N GLY 1 35 4.819 -0.048 4.379 1.00 0.00 N ATOM 506 CA GLY 1 35 3.634 -0.443 3.635 1.00 0.00 C ATOM 507 C GLY 1 35 3.732 -1.901 3.182 1.00 0.00 C ATOM 508 O GLY 1 35 3.039 -2.316 2.255 1.00 0.00 O ATOM 0 H GLY 1 35 5.035 -0.638 5.182 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.749 -0.310 4.257 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.513 0.204 2.766 1.00 0.00 H new ATOM 512 N CYS 1 36 4.602 -2.640 3.858 1.00 0.00 N ATOM 513 CA CYS 1 36 4.800 -4.043 3.536 1.00 0.00 C ATOM 514 C CYS 1 36 4.479 -4.871 4.783 1.00 0.00 C ATOM 515 O CYS 1 36 4.349 -4.327 5.877 1.00 0.00 O ATOM 516 CB CYS 1 36 6.216 -4.311 3.023 1.00 0.00 C ATOM 517 SG CYS 1 36 6.660 -3.410 1.493 1.00 0.00 S ATOM 0 H CYS 1 36 5.176 -2.293 4.626 1.00 0.00 H new ATOM 0 HA CYS 1 36 4.130 -4.331 2.726 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.927 -4.044 3.805 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 6.326 -5.380 2.843 1.00 0.00 H new ATOM 522 N CYS 1 37 4.360 -6.175 4.574 1.00 0.00 N ATOM 523 CA CYS 1 37 4.057 -7.083 5.666 1.00 0.00 C ATOM 524 C CYS 1 37 5.258 -8.008 5.869 1.00 0.00 C ATOM 525 O CYS 1 37 5.709 -8.660 4.928 1.00 0.00 O ATOM 526 CB CYS 1 37 2.769 -7.868 5.409 1.00 0.00 C ATOM 527 SG CYS 1 37 1.926 -8.475 6.915 1.00 0.00 S ATOM 0 H CYS 1 37 4.468 -6.623 3.664 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.881 -6.512 6.578 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.078 -7.233 4.854 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 3.001 -8.721 4.771 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.849 -9.122 6.579 1.00 0.00 H new ATOM 532 N PHE 1 38 5.742 -8.036 7.102 1.00 0.00 N ATOM 533 CA PHE 1 38 6.882 -8.871 7.440 1.00 0.00 C ATOM 534 C PHE 1 38 6.427 -10.245 7.940 1.00 0.00 C ATOM 535 O PHE 1 38 5.707 -10.341 8.932 1.00 0.00 O ATOM 536 CB PHE 1 38 7.640 -8.160 8.562 1.00 0.00 C ATOM 537 CG PHE 1 38 8.988 -8.797 8.903 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.101 -8.452 8.202 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.074 -9.710 9.908 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.352 -9.044 8.519 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.325 -10.302 10.225 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.439 -9.956 9.523 1.00 0.00 C ATOM 0 H PHE 1 38 5.365 -7.494 7.879 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.506 -9.022 6.559 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.803 -7.121 8.275 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.018 -8.150 9.457 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.033 -7.728 7.404 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.190 -9.985 10.465 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.235 -8.769 7.962 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.393 -11.027 11.023 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.391 -10.406 9.764 1.00 0.00 H new ATOM 552 N ASP 1 39 6.866 -11.273 7.228 1.00 0.00 N ATOM 553 CA ASP 1 39 6.513 -12.636 7.586 1.00 0.00 C ATOM 554 C ASP 1 39 7.535 -13.175 8.588 1.00 0.00 C ATOM 555 O ASP 1 39 7.291 -13.168 9.794 1.00 0.00 O ATOM 556 CB ASP 1 39 6.527 -13.549 6.358 1.00 0.00 C ATOM 557 CG ASP 1 39 6.351 -15.039 6.658 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.231 -15.405 7.076 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.340 -15.777 6.464 1.00 0.00 O ATOM 0 H ASP 1 39 7.463 -11.189 6.405 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.511 -12.624 8.015 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.733 -13.234 5.681 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.471 -13.409 5.831 1.00 0.00 H new ATOM 564 N SER 1 40 8.657 -13.632 8.053 1.00 0.00 N ATOM 565 CA SER 1 40 9.718 -14.175 8.885 1.00 0.00 C ATOM 566 C SER 1 40 9.493 -15.672 9.108 1.00 0.00 C ATOM 567 O SER 1 40 10.412 -16.390 9.499 1.00 0.00 O ATOM 568 CB SER 1 40 9.794 -13.443 10.227 1.00 0.00 C ATOM 569 OG SER 1 40 11.137 -13.286 10.674 1.00 0.00 O ATOM 0 H SER 1 40 8.855 -13.638 7.052 1.00 0.00 H new ATOM 0 HA SER 1 40 10.667 -14.030 8.369 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.327 -12.463 10.132 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.226 -13.996 10.974 1.00 0.00 H new ATOM 0 HG SER 1 40 11.448 -12.381 10.464 1.00 0.00 H new ATOM 575 N ARG 1 41 8.265 -16.098 8.852 1.00 0.00 N ATOM 576 CA ARG 1 41 7.907 -17.496 9.021 1.00 0.00 C ATOM 577 C ARG 1 41 8.850 -18.387 8.209 1.00 0.00 C ATOM 578 O ARG 1 41 9.545 -19.233 8.769 1.00 0.00 O ATOM 579 CB ARG 1 41 6.466 -17.753 8.577 1.00 0.00 C ATOM 580 CG ARG 1 41 5.470 -17.146 9.567 1.00 0.00 C ATOM 581 CD ARG 1 41 4.389 -18.158 9.949 1.00 0.00 C ATOM 582 NE ARG 1 41 4.963 -19.209 10.820 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.389 -20.399 11.039 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.222 -20.698 10.454 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.982 -21.290 11.846 1.00 0.00 N ATOM 0 H ARG 1 41 7.505 -15.499 8.529 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.997 -17.736 10.081 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.305 -17.327 7.587 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.293 -18.826 8.494 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.997 -16.817 10.462 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.007 -16.263 9.127 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.572 -17.653 10.465 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.968 -18.609 9.050 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.851 -19.014 11.282 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.770 -20.019 9.841 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.785 -21.604 10.621 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.870 -21.061 12.293 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.545 -22.196 12.013 1.00 0.00 H new ATOM 599 N ILE 1 42 8.843 -18.166 6.903 1.00 0.00 N ATOM 600 CA ILE 1 42 9.688 -18.938 6.008 1.00 0.00 C ATOM 601 C ILE 1 42 10.781 -18.031 5.438 1.00 0.00 C ATOM 602 O ILE 1 42 10.491 -16.952 4.922 1.00 0.00 O ATOM 603 CB ILE 1 42 8.844 -19.633 4.938 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.365 -19.644 5.330 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.372 -21.039 4.651 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.546 -20.488 4.350 1.00 0.00 C ATOM 0 H ILE 1 42 8.265 -17.463 6.443 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.189 -19.738 6.553 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.928 -19.064 4.012 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.255 -20.042 6.339 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.981 -18.624 5.346 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.754 -21.511 3.887 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.401 -20.976 4.298 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.338 -21.634 5.564 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.498 -20.480 4.650 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.639 -20.073 3.346 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.917 -21.513 4.354 1.00 0.00 H new ATOM 618 N PRO 1 43 12.047 -18.516 5.550 1.00 0.00 N ATOM 619 CA PRO 1 43 13.183 -17.760 5.051 1.00 0.00 C ATOM 620 C PRO 1 43 13.257 -17.826 3.524 1.00 0.00 C ATOM 621 O PRO 1 43 13.975 -17.046 2.899 1.00 0.00 O ATOM 622 CB PRO 1 43 14.394 -18.377 5.732 1.00 0.00 C ATOM 623 CG PRO 1 43 13.946 -19.744 6.222 1.00 0.00 C ATOM 624 CD PRO 1 43 12.428 -19.789 6.153 1.00 0.00 C ATOM 0 HA PRO 1 43 13.114 -16.696 5.278 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.229 -18.466 5.038 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.734 -17.757 6.562 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.380 -20.531 5.606 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.287 -19.914 7.243 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.084 -20.631 5.552 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.990 -19.905 7.144 1.00 0.00 H new ATOM 632 N GLY 1 44 12.506 -18.764 2.967 1.00 0.00 N ATOM 633 CA GLY 1 44 12.478 -18.941 1.525 1.00 0.00 C ATOM 634 C GLY 1 44 11.373 -18.095 0.890 1.00 0.00 C ATOM 635 O GLY 1 44 11.280 -18.004 -0.333 1.00 0.00 O ATOM 0 H GLY 1 44 11.912 -19.409 3.488 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.443 -18.662 1.102 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.318 -19.993 1.287 1.00 0.00 H new ATOM 639 N VAL 1 45 10.564 -17.493 1.750 1.00 0.00 N ATOM 640 CA VAL 1 45 9.470 -16.656 1.288 1.00 0.00 C ATOM 641 C VAL 1 45 9.817 -15.187 1.538 1.00 0.00 C ATOM 642 O VAL 1 45 10.785 -14.884 2.234 1.00 0.00 O ATOM 643 CB VAL 1 45 8.164 -17.084 1.960 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.703 -16.040 2.978 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.075 -17.354 0.920 1.00 0.00 C ATOM 0 H VAL 1 45 10.645 -17.568 2.764 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.323 -16.778 0.215 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.353 -18.014 2.496 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.773 -16.369 3.441 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.467 -15.918 3.746 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.540 -15.087 2.474 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.157 -17.657 1.424 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.890 -16.448 0.343 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.401 -18.150 0.251 1.00 0.00 H new ATOM 655 N PRO 1 46 8.986 -14.291 0.943 1.00 0.00 N ATOM 656 CA PRO 1 46 9.195 -12.861 1.094 1.00 0.00 C ATOM 657 C PRO 1 46 8.765 -12.388 2.485 1.00 0.00 C ATOM 658 O PRO 1 46 7.582 -12.422 2.817 1.00 0.00 O ATOM 659 CB PRO 1 46 8.388 -12.224 -0.024 1.00 0.00 C ATOM 660 CG PRO 1 46 7.390 -13.281 -0.472 1.00 0.00 C ATOM 661 CD PRO 1 46 7.829 -14.613 0.113 1.00 0.00 C ATOM 0 HA PRO 1 46 10.245 -12.580 1.019 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.877 -11.327 0.326 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.034 -11.922 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.386 -13.027 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.354 -13.335 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.033 -15.068 0.703 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.090 -15.323 -0.672 1.00 0.00 H new ATOM 669 N TRP 1 47 9.751 -11.958 3.260 1.00 0.00 N ATOM 670 CA TRP 1 47 9.490 -11.479 4.606 1.00 0.00 C ATOM 671 C TRP 1 47 9.121 -9.997 4.517 1.00 0.00 C ATOM 672 O TRP 1 47 9.345 -9.240 5.461 1.00 0.00 O ATOM 673 CB TRP 1 47 10.685 -11.743 5.523 1.00 0.00 C ATOM 674 CG TRP 1 47 11.749 -12.657 4.912 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.689 -13.983 4.725 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.042 -12.256 4.412 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.844 -14.464 4.143 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.693 -13.382 3.947 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.641 -10.986 4.354 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.977 -13.349 3.391 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.925 -10.971 3.796 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.594 -12.093 3.324 1.00 0.00 C ATOM 0 H TRP 1 47 10.732 -11.932 2.981 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.655 -12.020 5.053 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.146 -10.791 5.785 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.326 -12.190 6.450 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.843 -14.598 4.996 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.039 -15.436 3.901 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.150 -10.093 4.711 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.466 -14.243 3.033 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.431 -10.019 3.728 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.586 -11.998 2.907 1.00 0.00 H new ATOM 693 N CYS 1 48 8.560 -9.626 3.375 1.00 0.00 N ATOM 694 CA CYS 1 48 8.157 -8.248 3.151 1.00 0.00 C ATOM 695 C CYS 1 48 7.355 -8.188 1.850 1.00 0.00 C ATOM 696 O CYS 1 48 7.925 -8.241 0.761 1.00 0.00 O ATOM 697 CB CYS 1 48 9.361 -7.305 3.123 1.00 0.00 C ATOM 698 SG CYS 1 48 8.942 -5.523 3.127 1.00 0.00 S ATOM 0 H CYS 1 48 8.375 -10.256 2.595 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.532 -7.910 3.978 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.991 -7.517 3.987 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.954 -7.522 2.235 1.00 0.00 H new ATOM 703 N PHE 1 49 6.044 -8.078 2.005 1.00 0.00 N ATOM 704 CA PHE 1 49 5.158 -8.009 0.857 1.00 0.00 C ATOM 705 C PHE 1 49 4.033 -6.998 1.091 1.00 0.00 C ATOM 706 O PHE 1 49 4.069 -6.237 2.056 1.00 0.00 O ATOM 707 CB PHE 1 49 4.546 -9.401 0.679 1.00 0.00 C ATOM 708 CG PHE 1 49 4.424 -10.197 1.980 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.543 -10.573 2.655 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.197 -10.529 2.461 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.430 -11.313 3.862 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.083 -11.267 3.669 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.202 -11.644 4.343 1.00 0.00 C ATOM 0 H PHE 1 49 5.574 -8.035 2.909 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.717 -7.694 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.556 -9.298 0.234 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.155 -9.967 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.518 -10.309 2.273 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.308 -10.231 1.924 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.319 -11.613 4.397 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.108 -11.529 4.052 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.115 -12.207 5.261 1.00 0.00 H new ATOM 723 N LYS 1 50 3.061 -7.024 0.192 1.00 0.00 N ATOM 724 CA LYS 1 50 1.927 -6.119 0.288 1.00 0.00 C ATOM 725 C LYS 1 50 0.634 -6.934 0.352 1.00 0.00 C ATOM 726 O LYS 1 50 -0.163 -6.916 -0.584 1.00 0.00 O ATOM 727 CB LYS 1 50 1.957 -5.100 -0.853 1.00 0.00 C ATOM 728 CG LYS 1 50 2.123 -5.796 -2.205 1.00 0.00 C ATOM 729 CD LYS 1 50 3.452 -5.412 -2.859 1.00 0.00 C ATOM 730 CE LYS 1 50 3.617 -3.892 -2.914 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.713 -3.431 -4.318 1.00 0.00 N ATOM 0 H LYS 1 50 3.034 -7.657 -0.607 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.982 -5.535 1.207 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 1.035 -4.518 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.777 -4.399 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.079 -6.877 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.298 -5.523 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.277 -5.851 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 3.497 -5.823 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.771 -3.411 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.512 -3.597 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.825 -2.397 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.535 -3.876 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.847 -3.695 -4.830 1.00 0.00 H new ATOM 745 N PRO 1 51 0.461 -7.647 1.497 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.722 -8.468 1.696 1.00 0.00 C ATOM 747 C PRO 1 51 -1.943 -7.600 2.011 1.00 0.00 C ATOM 748 O PRO 1 51 -2.547 -7.021 1.110 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.359 -9.415 2.828 1.00 0.00 C ATOM 750 CG PRO 1 51 0.835 -8.788 3.528 1.00 0.00 C ATOM 751 CD PRO 1 51 1.383 -7.694 2.628 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.002 -9.026 0.803 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.195 -9.539 3.517 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.112 -10.405 2.445 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.538 -8.376 4.492 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.600 -9.539 3.724 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.422 -6.736 3.147 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.398 -7.921 2.302 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.271 -7.539 3.294 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.408 -6.753 3.739 1.00 0.00 C ATOM 761 C LEU 1 52 -2.931 -5.356 4.141 1.00 0.00 C ATOM 762 O LEU 1 52 -3.465 -4.759 5.075 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.165 -7.487 4.847 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.738 -7.164 6.280 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.806 -6.337 6.998 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.388 -8.439 7.049 1.00 0.00 C ATOM 0 H LEU 1 52 -1.768 -8.022 4.039 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.124 -6.624 2.927 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.226 -7.261 4.746 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.051 -8.559 4.688 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.835 -6.556 6.237 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.477 -6.122 8.015 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.963 -5.401 6.461 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.740 -6.898 7.030 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.088 -8.181 8.064 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.259 -9.094 7.083 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.568 -8.953 6.548 1.00 0.00 H new ATOM 778 N GLN 1 53 -1.931 -4.876 3.417 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.377 -3.560 3.686 1.00 0.00 C ATOM 780 C GLN 1 53 -2.487 -2.507 3.696 1.00 0.00 C ATOM 781 O GLN 1 53 -2.309 -1.416 4.235 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.291 -3.204 2.668 1.00 0.00 C ATOM 783 CG GLN 1 53 0.858 -4.211 2.717 1.00 0.00 C ATOM 784 CD GLN 1 53 1.434 -4.318 4.131 1.00 0.00 C ATOM 785 OE1 GLN 1 53 2.299 -3.559 4.536 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.908 -5.302 4.856 1.00 0.00 N ATOM 0 H GLN 1 53 -1.490 -5.375 2.644 1.00 0.00 H new ATOM 0 HA GLN 1 53 -0.913 -3.578 4.672 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.719 -3.184 1.666 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 0.089 -2.203 2.872 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.504 -5.189 2.390 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.642 -3.908 2.023 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.186 -5.901 4.455 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.226 -5.457 5.813 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.609 -2.872 3.092 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.749 -1.972 3.024 1.00 0.00 C ATOM 797 C GLU 1 54 -4.961 -1.282 4.373 1.00 0.00 C ATOM 798 O GLU 1 54 -5.511 -0.183 4.433 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.009 -2.717 2.583 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.889 -3.064 3.787 1.00 0.00 C ATOM 801 CD GLU 1 54 -7.792 -1.888 4.163 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.618 -1.508 3.303 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -7.638 -1.394 5.301 1.00 0.00 O ATOM 0 H GLU 1 54 -3.753 -3.778 2.646 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.540 -1.207 2.277 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.572 -2.103 1.881 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.731 -3.630 2.056 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.500 -3.937 3.556 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.260 -3.331 4.637 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.515 -1.956 5.423 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.650 -1.421 6.768 1.00 0.00 C ATOM 812 C ALA 1 55 -4.326 0.074 6.753 1.00 0.00 C ATOM 813 O ALA 1 55 -5.223 0.908 6.858 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.746 -2.204 7.721 1.00 0.00 C ATOM 0 H ALA 1 55 -4.060 -2.867 5.370 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.674 -1.532 7.124 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.847 -1.803 8.730 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.036 -3.255 7.717 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.709 -2.113 7.396 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.041 0.367 6.619 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.586 1.747 6.590 1.00 0.00 C ATOM 822 C GLU 1 56 -1.862 2.039 5.274 1.00 0.00 C ATOM 823 O GLU 1 56 -1.011 2.924 5.213 1.00 0.00 O ATOM 824 CB GLU 1 56 -1.689 2.056 7.790 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.133 3.342 8.489 1.00 0.00 C ATOM 826 CD GLU 1 56 -0.941 4.054 9.133 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -0.113 4.586 8.364 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -0.886 4.050 10.382 1.00 0.00 O ATOM 0 H GLU 1 56 -2.300 -0.328 6.529 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.458 2.397 6.655 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.720 1.225 8.495 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -0.655 2.156 7.460 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -2.612 4.005 7.769 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -2.877 3.108 9.251 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.225 1.276 4.254 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.619 1.441 2.942 1.00 0.00 C ATOM 837 C CYS 1 57 -2.614 2.181 2.045 1.00 0.00 C ATOM 838 O CYS 1 57 -2.374 3.324 1.657 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.198 0.099 2.341 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.120 0.224 0.868 1.00 0.00 S ATOM 0 H CYS 1 57 -2.931 0.542 4.308 1.00 0.00 H new ATOM 0 HA CYS 1 57 -0.704 2.027 3.031 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.679 -0.479 3.106 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.094 -0.460 2.072 1.00 0.00 H new ATOM 845 N THR 1 58 -3.708 1.499 1.740 1.00 0.00 N ATOM 846 CA THR 1 58 -4.739 2.078 0.894 1.00 0.00 C ATOM 847 C THR 1 58 -5.627 3.022 1.708 1.00 0.00 C ATOM 848 O THR 1 58 -6.228 3.944 1.157 1.00 0.00 O ATOM 849 CB THR 1 58 -5.510 0.932 0.238 1.00 0.00 C ATOM 850 OG1 THR 1 58 -5.931 1.468 -1.013 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.818 0.613 0.966 1.00 0.00 C ATOM 0 H THR 1 58 -3.903 0.551 2.063 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.306 2.691 0.104 1.00 0.00 H new ATOM 0 HB THR 1 58 -4.883 0.041 0.212 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.191 2.406 -0.896 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.326 -0.208 0.459 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.601 0.325 1.995 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.460 1.494 0.963 1.00 0.00 H new ATOM 859 N PHE 1 59 -5.684 2.758 3.005 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.489 3.572 3.899 1.00 0.00 C ATOM 861 C PHE 1 59 -6.471 5.041 3.471 1.00 0.00 C ATOM 862 O PHE 1 59 -7.441 5.766 3.684 1.00 0.00 O ATOM 863 CB PHE 1 59 -5.870 3.452 5.293 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.884 3.548 6.435 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.957 2.713 6.464 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.712 4.470 7.421 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.897 2.802 7.524 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.653 4.559 8.481 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.726 3.723 8.510 1.00 0.00 C ATOM 0 H PHE 1 59 -5.186 1.992 3.458 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.524 3.230 3.882 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.346 2.499 5.366 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.124 4.237 5.417 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.094 1.982 5.681 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.860 5.134 7.397 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.748 2.138 7.547 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.517 5.290 9.264 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.442 3.791 9.316 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.732 15.530 -0.453 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.506 14.475 0.181 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.587 13.289 0.486 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.061 12.204 0.819 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.623 13.982 -0.740 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.522 12.897 -0.145 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.426 13.272 0.632 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.284 11.717 -0.479 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.944 14.879 1.094 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.244 14.833 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.175 13.598 -1.656 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.292 13.538 0.362 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.304 12.503 0.621 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.875 12.536 2.089 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.421 13.300 2.883 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.072 12.685 -0.268 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.478 12.964 -1.717 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.635 14.093 -2.314 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.059 14.359 -3.707 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.240 14.800 -4.671 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.947 15.027 -4.399 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.713 15.014 -5.906 1.00 0.00 N ATOM 0 H ARG 2 18 -6.904 14.440 0.086 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.763 11.540 0.395 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.466 13.509 0.109 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.453 11.789 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.356 12.060 -2.313 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.534 13.233 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.744 14.996 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.580 13.821 -2.292 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.037 14.196 -3.948 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.587 14.864 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.323 15.363 -5.133 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.697 14.841 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.089 15.350 -6.640 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.900 11.695 2.405 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.392 11.617 3.764 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.922 12.042 3.779 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.190 11.726 4.715 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.612 10.212 4.326 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.488 10.205 5.851 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.966 9.652 3.884 1.00 0.00 C ATOM 0 H VAL 2 19 -4.449 11.063 1.744 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.936 12.302 4.414 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.833 9.564 3.924 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.649 9.194 6.224 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.492 10.543 6.137 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.235 10.873 6.280 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.098 8.652 4.297 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.764 10.302 4.244 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.002 9.603 2.796 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.534 12.754 2.730 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.164 13.225 2.611 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.217 12.183 3.207 1.00 0.00 C ATOM 1162 O ASP 2 20 0.103 12.237 4.394 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.965 14.537 3.373 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.452 14.770 3.898 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.397 14.430 3.154 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.559 15.285 5.033 1.00 0.00 O ATOM 0 H ASP 2 20 -3.144 13.016 1.956 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.953 13.387 1.554 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.234 15.365 2.717 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.657 14.559 4.215 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.206 11.260 2.356 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.111 10.206 2.784 1.00 0.00 C ATOM 1173 C CYS 2 21 2.297 10.854 3.501 1.00 0.00 C ATOM 1174 O CYS 2 21 2.846 10.282 4.442 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.561 9.335 1.610 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.651 7.544 1.973 1.00 0.00 S ATOM 0 H CYS 2 21 -0.061 11.220 1.372 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.594 9.536 3.471 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.874 9.489 0.778 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.543 9.674 1.280 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.658 12.039 3.030 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.769 12.770 3.614 1.00 0.00 C ATOM 1183 C GLY 2 22 5.050 11.934 3.587 1.00 0.00 C ATOM 1184 O GLY 2 22 5.690 11.739 4.621 1.00 0.00 O ATOM 0 H GLY 2 22 2.200 12.511 2.250 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.925 13.699 3.066 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.530 13.042 4.642 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.387 11.463 2.396 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.580 10.654 2.221 1.00 0.00 C ATOM 1190 C TYR 2 23 7.800 11.530 1.930 1.00 0.00 C ATOM 1191 O TYR 2 23 7.699 12.521 1.207 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.309 9.759 1.010 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.756 8.308 1.197 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.565 7.677 2.409 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.350 7.629 0.151 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.986 6.311 2.584 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.771 6.263 0.327 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.568 5.672 1.535 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.965 4.381 1.700 1.00 0.00 O ATOM 0 H TYR 2 23 4.854 11.627 1.542 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.791 10.082 3.125 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.241 9.774 0.791 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.818 10.176 0.141 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.100 8.208 3.227 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.499 8.122 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.843 5.806 3.528 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.237 5.720 -0.482 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.383 3.941 2.354 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.954 11.124 2.524 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.192 11.862 2.335 1.00 0.00 C ATOM 1211 C PRO 2 24 10.777 11.606 0.944 1.00 0.00 C ATOM 1212 O PRO 2 24 11.731 12.266 0.537 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.104 11.393 3.457 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.517 10.080 3.950 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.111 9.957 3.386 1.00 0.00 C ATOM 0 HA PRO 2 24 10.049 12.942 2.380 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.124 11.255 3.099 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.145 12.129 4.260 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.133 9.241 3.626 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.495 10.057 5.040 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.989 9.031 2.824 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.365 9.948 4.181 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.179 10.645 0.254 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.628 10.294 -1.083 1.00 0.00 C ATOM 1225 C HIS 2 25 9.440 10.317 -2.046 1.00 0.00 C ATOM 1226 O HIS 2 25 9.354 9.489 -2.952 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.359 8.951 -1.074 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.767 9.013 -1.620 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.041 9.172 -2.967 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.971 8.939 -0.986 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.357 9.189 -3.126 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.932 9.044 -1.897 1.00 0.00 N ATOM 0 H HIS 2 25 9.388 10.099 0.596 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.349 11.032 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.393 8.575 -0.052 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.785 8.233 -1.659 1.00 0.00 H new ATOM 0 HD1 HIS 2 25 12.349 9.261 -3.711 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.119 8.816 0.077 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 14.882 9.298 -4.064 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.551 11.274 -1.817 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.372 11.415 -2.654 1.00 0.00 C ATOM 1243 C VAL 2 26 7.802 11.558 -4.115 1.00 0.00 C ATOM 1244 O VAL 2 26 8.494 12.510 -4.472 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.520 12.588 -2.164 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.402 13.757 -1.718 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.525 13.030 -3.239 1.00 0.00 C ATOM 0 H VAL 2 26 8.624 11.958 -1.064 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.747 10.525 -2.585 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.949 12.250 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.772 14.578 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.052 13.433 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.011 14.094 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 4.932 13.865 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.068 13.342 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.865 12.199 -3.488 1.00 0.00 H new ATOM 1257 N THR 2 27 7.373 10.597 -4.921 1.00 0.00 N ATOM 1258 CA THR 2 27 7.705 10.605 -6.336 1.00 0.00 C ATOM 1259 C THR 2 27 6.831 9.604 -7.094 1.00 0.00 C ATOM 1260 O THR 2 27 6.346 8.634 -6.514 1.00 0.00 O ATOM 1261 CB THR 2 27 9.204 10.325 -6.471 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.701 11.445 -7.198 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.497 9.130 -7.380 1.00 0.00 C ATOM 0 H THR 2 27 6.799 9.809 -4.621 1.00 0.00 H new ATOM 0 HA THR 2 27 7.498 11.576 -6.785 1.00 0.00 H new ATOM 0 HB THR 2 27 9.630 10.143 -5.484 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.667 11.347 -7.329 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.574 8.975 -7.441 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.025 8.237 -6.971 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.101 9.325 -8.377 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.649 9.883 -8.413 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.842 9.019 -9.256 1.00 0.00 C ATOM 1273 C PRO 2 28 6.590 7.728 -9.596 1.00 0.00 C ATOM 1274 O PRO 2 28 6.687 7.353 -10.763 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.517 9.858 -10.482 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.533 10.988 -10.494 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.208 11.023 -9.133 1.00 0.00 C ATOM 0 HA PRO 2 28 4.928 8.686 -8.764 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.585 9.262 -11.392 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.500 10.247 -10.431 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.270 10.830 -11.282 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.043 11.939 -10.702 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.291 10.940 -9.226 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.003 11.959 -8.613 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.098 7.086 -8.556 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.834 5.845 -8.729 1.00 0.00 C ATOM 1287 C LYS 2 29 8.163 5.255 -7.356 1.00 0.00 C ATOM 1288 O LYS 2 29 8.355 4.048 -7.225 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.064 6.070 -9.611 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.828 4.764 -9.833 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.180 4.578 -11.310 1.00 0.00 C ATOM 1292 CE LYS 2 29 10.289 3.093 -11.664 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.219 2.706 -12.610 1.00 0.00 N ATOM 0 H LYS 2 29 7.015 7.401 -7.590 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.223 5.111 -9.254 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.756 6.483 -10.572 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.721 6.804 -9.144 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.740 4.766 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.225 3.923 -9.491 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.418 5.049 -11.931 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.124 5.078 -11.529 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 11.264 2.889 -12.106 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 10.217 2.491 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 9.307 1.696 -12.840 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.291 2.882 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.306 3.268 -13.481 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.217 6.136 -6.367 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.518 5.718 -5.009 1.00 0.00 C ATOM 1309 C GLU 2 30 7.227 5.546 -4.207 1.00 0.00 C ATOM 1310 O GLU 2 30 7.068 4.566 -3.480 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.460 6.712 -4.325 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.876 6.143 -4.223 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.715 6.538 -5.442 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.684 5.766 -6.425 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.366 7.601 -5.361 1.00 0.00 O ATOM 0 H GLU 2 30 8.057 7.137 -6.480 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.027 4.755 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.479 7.646 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.086 6.947 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.354 6.508 -3.314 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.831 5.057 -4.145 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.335 6.514 -4.366 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.063 6.482 -3.666 1.00 0.00 C ATOM 1324 C CYS 2 31 4.261 5.284 -4.181 1.00 0.00 C ATOM 1325 O CYS 2 31 3.802 4.457 -3.396 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.295 7.795 -3.828 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.755 9.105 -2.636 1.00 0.00 S ATOM 0 H CYS 2 31 6.469 7.325 -4.970 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.237 6.369 -2.596 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.455 8.171 -4.839 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.229 7.591 -3.728 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.118 5.232 -5.496 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.379 4.149 -6.126 1.00 0.00 C ATOM 1334 C ASN 2 32 4.120 2.831 -5.894 1.00 0.00 C ATOM 1335 O ASN 2 32 3.624 1.765 -6.256 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.261 4.368 -7.635 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.624 5.723 -7.945 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.496 5.955 -7.279 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 3.121 6.506 -8.737 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.500 5.921 -6.144 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.381 4.121 -5.688 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.249 4.314 -8.092 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.662 3.571 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 3.989 6.266 -9.215 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.668 7.401 -8.921 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.295 2.946 -5.293 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.109 1.776 -5.010 1.00 0.00 C ATOM 1348 C ASN 2 33 6.031 1.457 -3.516 1.00 0.00 C ATOM 1349 O ASN 2 33 6.161 0.299 -3.118 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.575 2.028 -5.364 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.462 0.880 -4.876 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.213 -0.285 -5.139 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.507 1.271 -4.154 1.00 0.00 N ATOM 0 H ASN 2 33 5.703 3.832 -4.994 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.731 0.948 -5.609 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.678 2.139 -6.443 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.906 2.964 -4.914 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.158 0.579 -3.783 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.658 2.263 -3.971 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.819 2.501 -2.729 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.721 2.346 -1.288 1.00 0.00 C ATOM 1362 C ARG 2 34 4.284 2.013 -0.886 1.00 0.00 C ATOM 1363 O ARG 2 34 4.057 1.297 0.089 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.164 3.619 -0.566 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.003 4.606 -0.431 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.145 4.279 0.794 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.353 5.300 1.844 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.964 5.158 3.119 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.344 4.036 3.508 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 4.194 6.138 4.003 1.00 0.00 N ATOM 0 H ARG 2 34 5.712 3.459 -3.063 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.381 1.529 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.547 3.366 0.422 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.981 4.087 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.392 5.621 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.387 4.574 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 3.093 4.244 0.512 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.405 3.292 1.178 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.822 6.167 1.581 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.168 3.291 2.834 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 3.048 3.927 4.478 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.665 6.992 3.706 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 3.898 6.030 4.973 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.348 2.548 -1.656 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.938 2.318 -1.392 1.00 0.00 C ATOM 1386 C GLY 2 35 1.166 3.638 -1.340 1.00 0.00 C ATOM 1387 O GLY 2 35 0.115 3.721 -0.708 1.00 0.00 O ATOM 0 H GLY 2 35 3.539 3.141 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.519 1.678 -2.169 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.823 1.788 -0.446 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.720 4.637 -2.012 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.097 5.949 -2.051 1.00 0.00 C ATOM 1393 C CYS 2 36 0.832 6.313 -3.512 1.00 0.00 C ATOM 1394 O CYS 2 36 1.352 5.667 -4.421 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.954 7.002 -1.346 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.262 6.679 0.429 1.00 0.00 S ATOM 0 H CYS 2 36 2.593 4.564 -2.534 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.152 5.922 -1.509 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.913 7.073 -1.860 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.467 7.972 -1.445 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.024 7.347 -3.695 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.315 7.806 -5.031 1.00 0.00 C ATOM 1403 C CYS 2 37 0.276 9.203 -5.225 1.00 0.00 C ATOM 1404 O CYS 2 37 0.067 10.090 -4.400 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.827 7.789 -5.267 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.329 7.548 -7.011 1.00 0.00 S ATOM 0 H CYS 2 37 -0.406 7.880 -2.939 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.111 7.127 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.266 6.994 -4.664 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.247 8.729 -4.909 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.626 7.548 -7.093 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.005 9.355 -6.321 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.630 10.629 -6.634 1.00 0.00 C ATOM 1413 C PHE 2 38 0.750 11.455 -7.574 1.00 0.00 C ATOM 1414 O PHE 2 38 0.495 11.051 -8.708 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.953 10.318 -7.336 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.881 11.526 -7.479 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.731 11.853 -6.470 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.855 12.274 -8.615 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.593 12.974 -6.602 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.716 13.395 -8.747 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.567 13.721 -7.738 1.00 0.00 C ATOM 0 H PHE 2 38 1.177 8.617 -7.003 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.780 11.204 -5.720 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.473 9.537 -6.780 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.741 9.916 -8.327 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.751 11.260 -5.568 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.179 12.015 -9.417 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.269 13.233 -5.800 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.695 13.989 -9.649 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.222 14.573 -7.839 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.307 12.596 -7.067 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.540 13.482 -7.848 1.00 0.00 C ATOM 1433 C ASP 2 39 0.313 14.210 -8.890 1.00 0.00 C ATOM 1434 O ASP 2 39 0.377 13.793 -10.044 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.200 14.538 -6.957 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.401 15.904 -7.615 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.302 15.993 -8.476 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.648 16.829 -7.242 1.00 0.00 O ATOM 0 H ASP 2 39 0.518 12.927 -6.126 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.311 12.877 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.170 14.162 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.592 14.668 -6.062 1.00 0.00 H new ATOM 1443 N SER 2 40 0.946 15.285 -8.443 1.00 0.00 N ATOM 1444 CA SER 2 40 1.793 16.074 -9.322 1.00 0.00 C ATOM 1445 C SER 2 40 0.953 17.128 -10.047 1.00 0.00 C ATOM 1446 O SER 2 40 1.479 18.153 -10.481 1.00 0.00 O ATOM 1447 CB SER 2 40 2.517 15.183 -10.334 1.00 0.00 C ATOM 1448 OG SER 2 40 3.759 15.747 -10.748 1.00 0.00 O ATOM 0 H SER 2 40 0.889 15.628 -7.484 1.00 0.00 H new ATOM 0 HA SER 2 40 2.547 16.574 -8.715 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.693 14.202 -9.893 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.879 15.031 -11.205 1.00 0.00 H new ATOM 0 HG SER 2 40 4.191 15.148 -11.392 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.335 16.841 -10.157 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.251 17.752 -10.821 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.363 19.060 -10.035 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.283 20.143 -10.612 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.641 17.129 -10.964 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.543 15.649 -11.339 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.593 15.279 -12.387 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.176 15.773 -13.719 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.779 15.438 -14.868 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.827 14.604 -14.855 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.332 15.935 -16.028 1.00 0.00 N ATOM 0 H ARG 2 41 -0.766 15.990 -9.797 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.853 17.955 -11.815 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.189 17.235 -10.028 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.207 17.664 -11.727 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.547 15.433 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.680 15.035 -10.449 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.724 14.197 -12.416 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.557 15.710 -12.116 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.379 16.408 -13.765 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.166 14.224 -13.971 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.286 14.349 -15.729 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.533 16.568 -16.037 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.791 15.680 -16.903 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.548 18.915 -8.731 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.672 20.072 -7.860 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.497 20.096 -6.881 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.406 19.249 -5.993 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.042 20.083 -7.178 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.104 19.438 -8.069 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.432 21.501 -6.755 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.491 20.013 -7.774 1.00 0.00 C ATOM 0 H ILE 2 42 -1.615 18.015 -8.257 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.622 20.994 -8.440 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.977 19.483 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.854 19.603 -9.117 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.112 18.360 -7.909 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.409 21.481 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.691 21.889 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.474 22.144 -7.634 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.227 19.537 -8.421 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.749 19.825 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.486 21.087 -7.958 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.397 21.100 -7.081 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.563 21.246 -6.227 1.00 0.00 C ATOM 1499 C PRO 2 43 1.174 21.818 -4.862 1.00 0.00 C ATOM 1500 O PRO 2 43 2.006 21.899 -3.959 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.509 22.149 -7.001 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.654 22.850 -8.045 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.322 22.121 -8.122 1.00 0.00 C ATOM 0 HA PRO 2 43 2.040 20.292 -6.001 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.988 22.871 -6.340 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.304 21.570 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.502 23.895 -7.775 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.151 22.840 -9.015 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.512 22.801 -7.950 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.171 21.674 -9.105 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.090 22.197 -4.752 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.600 22.758 -3.513 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.236 21.673 -2.641 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.688 21.950 -1.531 1.00 0.00 O ATOM 0 H GLY 2 44 -0.778 22.126 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.211 23.240 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.337 23.530 -3.735 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.251 20.461 -3.177 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.824 19.334 -2.461 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.746 18.270 -2.246 1.00 0.00 C ATOM 1521 O VAL 2 45 0.401 18.452 -2.654 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.046 18.803 -3.214 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.768 19.933 -3.952 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.652 17.683 -4.177 1.00 0.00 C ATOM 0 H VAL 2 45 -0.876 20.235 -4.098 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.174 19.645 -1.477 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.737 18.386 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.632 19.529 -4.479 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.099 20.683 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.088 20.392 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.539 17.324 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.933 18.063 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.203 16.863 -3.617 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.162 17.155 -1.589 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.245 16.062 -1.315 1.00 0.00 C ATOM 1536 C PRO 2 46 0.037 15.251 -2.582 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.874 14.662 -3.161 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.920 15.245 -0.226 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.388 15.640 -0.258 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.511 16.905 -1.091 1.00 0.00 C ATOM 0 HA PRO 2 46 0.735 16.408 -0.986 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.799 14.177 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.480 15.455 0.749 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.990 14.839 -0.688 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.760 15.810 0.752 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.217 16.772 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.873 17.740 -0.491 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.303 15.250 -2.975 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.716 14.522 -4.163 1.00 0.00 C ATOM 1550 C TRP 2 47 2.087 13.099 -3.741 1.00 0.00 C ATOM 1551 O TRP 2 47 2.916 12.454 -4.381 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.854 15.248 -4.882 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.045 16.700 -4.439 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.313 17.770 -4.781 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.068 17.201 -3.552 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.788 18.919 -4.182 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.888 18.562 -3.411 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.109 16.528 -2.892 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.713 19.366 -2.615 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.925 17.344 -2.100 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.757 18.716 -1.947 1.00 0.00 C ATOM 0 H TRP 2 47 2.055 15.741 -2.492 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.902 14.469 -4.886 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.783 14.703 -4.714 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.663 15.229 -5.955 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.459 17.737 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.403 19.858 -4.286 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.268 15.464 -2.988 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.552 20.430 -2.522 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.742 16.876 -1.571 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.429 19.278 -1.315 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.456 12.651 -2.665 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.709 11.317 -2.150 1.00 0.00 C ATOM 1574 C CYS 2 48 0.662 11.009 -1.078 1.00 0.00 C ATOM 1575 O CYS 2 48 0.723 11.545 0.027 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.135 11.180 -1.611 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.644 9.468 -1.214 1.00 0.00 S ATOM 0 H CYS 2 48 0.770 13.189 -2.136 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.624 10.590 -2.958 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.827 11.588 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.229 11.790 -0.712 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.275 10.147 -1.443 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.334 9.761 -0.527 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.706 8.287 -0.707 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.020 7.553 -1.415 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.552 10.626 -0.860 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.622 11.063 -2.324 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.699 11.930 -2.820 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.608 10.585 -3.130 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.764 12.336 -4.180 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.673 10.991 -4.490 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.750 11.858 -4.985 1.00 0.00 C ATOM 0 H PHE 2 49 -0.323 9.705 -2.361 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.004 9.902 0.502 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.457 10.071 -0.613 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.539 11.513 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.916 12.310 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.341 9.897 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.031 13.024 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.455 10.611 -5.130 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.800 12.167 -6.019 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.793 7.900 -0.054 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.264 6.528 -0.134 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.709 6.518 -0.637 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.631 6.219 0.121 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.074 5.817 1.207 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.348 6.767 2.375 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.051 7.395 2.887 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.235 6.385 3.696 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.555 6.494 5.137 1.00 0.00 N ATOM 0 H LYS 2 50 -3.360 8.513 0.532 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.672 5.963 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.744 4.959 1.266 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.057 5.432 1.278 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.035 7.551 2.057 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.837 6.223 3.183 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.460 7.754 2.045 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.282 8.261 3.507 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.446 5.375 3.346 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.171 6.560 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.992 5.801 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.331 7.453 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.567 6.304 5.283 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.866 6.857 -1.944 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.183 6.890 -2.556 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.698 5.475 -2.826 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.239 4.826 -1.932 1.00 0.00 O ATOM 1628 CB PRO 2 51 -6.008 7.710 -3.823 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.516 7.713 -4.115 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.797 7.217 -2.871 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.936 7.339 -1.908 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.567 7.274 -4.651 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.381 8.725 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.292 7.071 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.180 8.717 -4.376 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.162 6.360 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.153 7.990 -2.452 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.511 5.038 -4.062 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.949 3.711 -4.461 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.732 2.792 -4.585 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.614 2.040 -5.552 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.796 3.786 -5.734 1.00 0.00 C ATOM 1643 CG LEU 2 52 -7.030 3.689 -7.055 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.259 2.332 -7.722 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.387 4.852 -7.983 1.00 0.00 C ATOM 0 H LEU 2 52 -6.062 5.579 -4.801 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.598 3.279 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.533 2.983 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.348 4.726 -5.725 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.964 3.766 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.704 2.289 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.915 1.538 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.322 2.201 -7.924 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.829 4.759 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.456 4.832 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -7.131 5.795 -7.500 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.859 2.882 -3.593 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.656 2.068 -3.579 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.016 0.586 -3.699 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.153 -0.246 -3.974 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.830 2.332 -2.318 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.450 3.810 -2.210 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.556 4.233 -3.378 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.345 4.084 -3.350 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.217 4.767 -4.401 1.00 0.00 N ATOM 0 H GLN 2 53 -4.961 3.506 -2.793 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.044 2.343 -4.438 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.399 2.034 -1.437 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.927 1.721 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.352 4.421 -2.198 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.932 3.988 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.232 4.862 -4.359 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.709 5.081 -5.228 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.292 0.301 -3.485 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.777 -1.067 -3.565 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.263 -1.738 -4.841 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.230 -2.964 -4.930 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.305 -1.111 -3.499 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.796 -0.976 -2.057 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.268 -0.561 -2.015 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.763 -0.118 -3.074 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.865 -0.696 -0.926 1.00 0.00 O ATOM 0 H GLU 2 54 -6.005 0.994 -3.256 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.393 -1.620 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.722 -0.307 -4.106 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.664 -2.049 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.667 -1.924 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.191 -0.237 -1.531 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.875 -0.904 -5.795 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.365 -1.402 -7.061 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.597 -2.703 -6.819 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.024 -3.770 -7.258 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.499 -0.327 -7.720 1.00 0.00 C ATOM 0 H ALA 2 55 -4.904 0.113 -5.717 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.184 -1.625 -7.745 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.116 -0.700 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.099 0.566 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.664 -0.080 -7.064 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.477 -2.571 -6.124 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.644 -3.723 -5.821 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.117 -3.632 -4.387 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.185 -4.347 -4.018 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.494 -3.847 -6.821 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.751 -4.984 -7.813 1.00 0.00 C ATOM 1705 CD GLU 2 56 -1.244 -4.439 -9.155 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -0.378 -3.999 -9.941 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -2.475 -4.476 -9.364 1.00 0.00 O ATOM 0 H GLU 2 56 -2.127 -1.684 -5.762 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.254 -4.622 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.374 -2.908 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.439 -4.029 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.165 -5.555 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.491 -5.671 -7.401 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.735 -2.748 -3.617 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.339 -2.555 -2.232 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.198 -3.469 -1.356 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.673 -4.325 -0.644 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.453 -1.089 -1.811 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.187 -0.536 -0.610 1.00 0.00 S ATOM 0 H CYS 2 57 -2.507 -2.157 -3.926 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.288 -2.819 -2.110 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.387 -0.464 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.440 -0.925 -1.379 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.504 -3.259 -1.438 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.440 -4.053 -0.660 1.00 0.00 C ATOM 1726 C THR 2 58 -4.333 -5.530 -1.043 1.00 0.00 C ATOM 1727 O THR 2 58 -4.518 -6.409 -0.203 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.839 -3.471 -0.867 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.622 -4.074 0.159 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.489 -3.956 -2.165 1.00 0.00 C ATOM 0 H THR 2 58 -3.936 -2.551 -2.031 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.208 -4.008 0.404 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.781 -2.383 -0.874 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.545 -3.750 0.099 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.480 -3.513 -2.263 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.873 -3.659 -3.014 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.577 -5.042 -2.144 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.034 -5.758 -2.315 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.901 -7.113 -2.820 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.341 -8.047 -1.745 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.682 -9.038 -2.060 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.920 -7.060 -3.993 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.541 -7.428 -5.341 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.800 -7.015 -5.646 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.834 -8.170 -6.236 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.377 -7.356 -6.897 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.411 -8.512 -7.487 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.670 -8.099 -7.792 1.00 0.00 C ATOM 0 H PHE 2 59 -3.880 -5.027 -3.009 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.877 -7.494 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.503 -6.055 -4.059 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.090 -7.737 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.362 -6.427 -4.935 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -1.834 -8.499 -5.995 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.377 -7.026 -7.139 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.849 -9.101 -8.197 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.109 -8.360 -8.744 1.00 0.00 H new