USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 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 180:sc= -1.46 USER MOD Single : 1 25 HIS : no HD1:sc=-0.00251 X(o=-0.0025,f=-0.015) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.195 USER MOD Single : 1 29 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.268) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.283 F(o=-2.4,f=-0.28) USER MOD Single : 1 33 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.4) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.234 USER MOD Single : 1 40 SER OG : rot 102:sc= 0.134 USER MOD Single : 1 50 LYS NZ :NH3+ -150:sc= -0.806 (180deg=-1.47) USER MOD Single : 1 53 GLN : amide:sc= -11.9! C(o=-12!,f=-17!) USER MOD Single : 1 58 THR OG1 : rot -150:sc= 0 USER MOD Single : 2 23 TYR OH : rot 180:sc= -0.548 USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : 2 27 THR OG1 : rot 60:sc= 0.0276 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.116 F(o=-1.1,f=-0.12) USER MOD Single : 2 33 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.5!) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.12 USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ -149:sc= -0.656! (180deg=-2.36!) USER MOD Single : 2 53 GLN : amide:sc= -15.8! C(o=-16!,f=-24!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.42 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.988 -15.712 -2.760 1.00 0.00 N ATOM 229 CA ASP 1 17 0.965 -14.935 -3.441 1.00 0.00 C ATOM 230 C ASP 1 17 1.112 -13.461 -3.061 1.00 0.00 C ATOM 231 O ASP 1 17 0.193 -12.669 -3.265 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.436 -15.393 -3.030 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.555 -14.987 -3.991 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.681 -15.663 -5.035 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.260 -14.009 -3.660 1.00 0.00 O ATOM 0 HA ASP 1 17 1.091 -15.077 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.434 -16.479 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.660 -14.988 -2.043 1.00 0.00 H new ATOM 240 N ARG 1 18 2.275 -13.137 -2.515 1.00 0.00 N ATOM 241 CA ARG 1 18 2.553 -11.771 -2.104 1.00 0.00 C ATOM 242 C ARG 1 18 3.218 -10.999 -3.245 1.00 0.00 C ATOM 243 O ARG 1 18 3.583 -11.583 -4.264 1.00 0.00 O ATOM 244 CB ARG 1 18 3.466 -11.740 -0.876 1.00 0.00 C ATOM 245 CG ARG 1 18 2.958 -12.692 0.208 1.00 0.00 C ATOM 246 CD ARG 1 18 4.123 -13.392 0.912 1.00 0.00 C ATOM 247 NE ARG 1 18 3.636 -14.092 2.122 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.435 -14.592 3.074 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.765 -14.474 2.961 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.905 -15.212 4.137 1.00 0.00 N ATOM 0 H ARG 1 18 3.035 -13.796 -2.348 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.603 -11.302 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.479 -12.019 -1.165 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.515 -10.726 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.368 -12.137 0.937 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.297 -13.436 -0.237 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.593 -14.104 0.234 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.885 -12.662 1.186 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.628 -14.200 2.238 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.168 -14.004 2.151 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.374 -14.854 3.685 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.893 -15.304 4.222 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.514 -15.592 4.861 1.00 0.00 H new ATOM 264 N VAL 1 19 3.357 -9.698 -3.035 1.00 0.00 N ATOM 265 CA VAL 1 19 3.972 -8.840 -4.034 1.00 0.00 C ATOM 266 C VAL 1 19 5.437 -8.601 -3.662 1.00 0.00 C ATOM 267 O VAL 1 19 6.065 -7.671 -4.166 1.00 0.00 O ATOM 268 CB VAL 1 19 3.172 -7.544 -4.176 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.762 -6.652 -5.269 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.695 -7.839 -4.446 1.00 0.00 C ATOM 0 H VAL 1 19 3.054 -9.217 -2.188 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.959 -9.322 -5.012 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.239 -7.004 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.174 -5.738 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.792 -6.400 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.741 -7.181 -6.222 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.148 -6.901 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.601 -8.411 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.282 -8.416 -3.618 1.00 0.00 H new ATOM 280 N ASP 1 20 5.938 -9.455 -2.782 1.00 0.00 N ATOM 281 CA ASP 1 20 7.317 -9.348 -2.336 1.00 0.00 C ATOM 282 C ASP 1 20 7.727 -7.874 -2.310 1.00 0.00 C ATOM 283 O ASP 1 20 8.302 -7.369 -3.273 1.00 0.00 O ATOM 284 CB ASP 1 20 8.261 -10.085 -3.287 1.00 0.00 C ATOM 285 CG ASP 1 20 9.697 -9.557 -3.310 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.350 -9.641 -2.247 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.110 -9.081 -4.389 1.00 0.00 O ATOM 0 H ASP 1 20 5.414 -10.224 -2.366 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.386 -9.792 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.282 -11.139 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.853 -10.029 -4.296 1.00 0.00 H new ATOM 292 N CYS 1 21 7.415 -7.225 -1.198 1.00 0.00 N ATOM 293 CA CYS 1 21 7.743 -5.820 -1.034 1.00 0.00 C ATOM 294 C CYS 1 21 9.210 -5.620 -1.422 1.00 0.00 C ATOM 295 O CYS 1 21 9.567 -4.602 -2.011 1.00 0.00 O ATOM 296 CB CYS 1 21 7.459 -5.334 0.389 1.00 0.00 C ATOM 297 SG CYS 1 21 6.833 -3.618 0.502 1.00 0.00 S ATOM 0 H CYS 1 21 6.938 -7.647 -0.401 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.110 -5.219 -1.686 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.731 -6.003 0.848 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.375 -5.411 0.974 1.00 0.00 H new ATOM 302 N GLY 1 22 10.020 -6.611 -1.076 1.00 0.00 N ATOM 303 CA GLY 1 22 11.440 -6.557 -1.382 1.00 0.00 C ATOM 304 C GLY 1 22 12.011 -5.168 -1.091 1.00 0.00 C ATOM 305 O GLY 1 22 12.481 -4.485 -1.999 1.00 0.00 O ATOM 0 H GLY 1 22 9.720 -7.455 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.971 -7.304 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.599 -6.807 -2.431 1.00 0.00 H new ATOM 309 N TYR 1 23 11.951 -4.792 0.178 1.00 0.00 N ATOM 310 CA TYR 1 23 12.456 -3.496 0.600 1.00 0.00 C ATOM 311 C TYR 1 23 13.922 -3.594 1.029 1.00 0.00 C ATOM 312 O TYR 1 23 14.393 -4.665 1.406 1.00 0.00 O ATOM 313 CB TYR 1 23 11.610 -3.086 1.807 1.00 0.00 C ATOM 314 CG TYR 1 23 10.631 -1.945 1.520 1.00 0.00 C ATOM 315 CD1 TYR 1 23 9.510 -2.175 0.749 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.869 -0.687 2.034 1.00 0.00 C ATOM 317 CE1 TYR 1 23 8.589 -1.102 0.480 1.00 0.00 C ATOM 318 CE2 TYR 1 23 9.948 0.387 1.765 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.853 0.126 1.001 1.00 0.00 C ATOM 320 OH TYR 1 23 7.983 1.140 0.747 1.00 0.00 O ATOM 0 H TYR 1 23 11.560 -5.362 0.928 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.396 -2.776 -0.216 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 11.050 -3.953 2.157 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.273 -2.787 2.618 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 9.324 -3.160 0.347 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.746 -0.508 2.638 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 7.708 -1.268 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.123 1.377 2.161 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.299 1.959 1.183 1.00 0.00 H new ATOM 330 N PRO 1 24 14.620 -2.429 0.955 1.00 0.00 N ATOM 331 CA PRO 1 24 16.022 -2.372 1.331 1.00 0.00 C ATOM 332 C PRO 1 24 16.184 -2.412 2.852 1.00 0.00 C ATOM 333 O PRO 1 24 17.278 -2.655 3.357 1.00 0.00 O ATOM 334 CB PRO 1 24 16.544 -1.085 0.713 1.00 0.00 C ATOM 335 CG PRO 1 24 15.317 -0.241 0.410 1.00 0.00 C ATOM 336 CD PRO 1 24 14.095 -1.140 0.513 1.00 0.00 C ATOM 0 HA PRO 1 24 16.589 -3.230 0.970 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.215 -0.567 1.398 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.111 -1.290 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.241 0.588 1.113 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.389 0.193 -0.587 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.370 -0.743 1.223 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.586 -1.228 -0.447 1.00 0.00 H new ATOM 344 N HIS 1 25 15.077 -2.172 3.540 1.00 0.00 N ATOM 345 CA HIS 1 25 15.082 -2.177 4.993 1.00 0.00 C ATOM 346 C HIS 1 25 13.905 -3.007 5.506 1.00 0.00 C ATOM 347 O HIS 1 25 13.109 -2.530 6.315 1.00 0.00 O ATOM 348 CB HIS 1 25 15.086 -0.750 5.542 1.00 0.00 C ATOM 349 CG HIS 1 25 16.466 -0.162 5.716 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.913 0.930 4.993 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.492 -0.526 6.538 1.00 0.00 C ATOM 352 CE1 HIS 1 25 18.154 1.202 5.370 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.511 0.299 6.327 1.00 0.00 N ATOM 0 H HIS 1 25 14.170 -1.973 3.118 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.997 -2.645 5.356 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.513 -0.112 4.870 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.574 -0.741 6.504 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.478 -1.346 7.241 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.774 1.999 4.986 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.413 0.263 6.803 1.00 0.00 H new ATOM 362 N VAL 1 26 13.829 -4.236 5.016 1.00 0.00 N ATOM 363 CA VAL 1 26 12.762 -5.137 5.416 1.00 0.00 C ATOM 364 C VAL 1 26 13.034 -5.647 6.832 1.00 0.00 C ATOM 365 O VAL 1 26 14.104 -6.190 7.105 1.00 0.00 O ATOM 366 CB VAL 1 26 12.617 -6.264 4.392 1.00 0.00 C ATOM 367 CG1 VAL 1 26 13.985 -6.726 3.888 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.822 -7.435 4.973 1.00 0.00 C ATOM 0 H VAL 1 26 14.490 -4.629 4.345 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.807 -4.611 5.438 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.061 -5.873 3.540 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 13.853 -7.528 3.161 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.500 -5.889 3.416 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.578 -7.091 4.727 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.734 -8.222 4.224 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.338 -7.825 5.851 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.827 -7.093 5.259 1.00 0.00 H new ATOM 378 N THR 1 27 12.048 -5.457 7.696 1.00 0.00 N ATOM 379 CA THR 1 27 12.168 -5.892 9.078 1.00 0.00 C ATOM 380 C THR 1 27 10.797 -5.893 9.757 1.00 0.00 C ATOM 381 O THR 1 27 9.884 -5.194 9.322 1.00 0.00 O ATOM 382 CB THR 1 27 13.188 -4.987 9.770 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.137 -5.894 10.326 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.603 -4.269 10.988 1.00 0.00 C ATOM 0 H THR 1 27 11.162 -5.007 7.466 1.00 0.00 H new ATOM 0 HA THR 1 27 12.527 -6.919 9.141 1.00 0.00 H new ATOM 0 HB THR 1 27 13.560 -4.250 9.058 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.836 -5.390 10.793 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.369 -3.640 11.442 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.762 -3.649 10.676 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.261 -5.006 11.715 1.00 0.00 H new ATOM 392 N PRO 1 28 10.694 -6.709 10.841 1.00 0.00 N ATOM 393 CA PRO 1 28 9.450 -6.812 11.584 1.00 0.00 C ATOM 394 C PRO 1 28 9.227 -5.572 12.453 1.00 0.00 C ATOM 395 O PRO 1 28 9.047 -5.683 13.665 1.00 0.00 O ATOM 396 CB PRO 1 28 9.582 -8.090 12.396 1.00 0.00 C ATOM 397 CG PRO 1 28 11.068 -8.409 12.434 1.00 0.00 C ATOM 398 CD PRO 1 28 11.755 -7.552 11.384 1.00 0.00 C ATOM 0 HA PRO 1 28 8.575 -6.856 10.936 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.186 -7.956 13.402 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.020 -8.904 11.938 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.478 -8.203 13.423 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.237 -9.467 12.233 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.552 -6.952 11.823 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.209 -8.166 10.607 1.00 0.00 H new ATOM 406 N LYS 1 29 9.247 -4.420 11.800 1.00 0.00 N ATOM 407 CA LYS 1 29 9.050 -3.161 12.497 1.00 0.00 C ATOM 408 C LYS 1 29 9.146 -2.007 11.496 1.00 0.00 C ATOM 409 O LYS 1 29 8.617 -0.924 11.739 1.00 0.00 O ATOM 410 CB LYS 1 29 10.024 -3.039 13.671 1.00 0.00 C ATOM 411 CG LYS 1 29 9.433 -2.176 14.787 1.00 0.00 C ATOM 412 CD LYS 1 29 9.477 -2.910 16.129 1.00 0.00 C ATOM 413 CE LYS 1 29 8.085 -3.400 16.532 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.786 -4.699 15.890 1.00 0.00 N ATOM 0 H LYS 1 29 9.397 -4.332 10.795 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.053 -3.121 12.935 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.258 -4.031 14.059 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.961 -2.602 13.326 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.988 -1.241 14.861 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.403 -1.916 14.544 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 10.159 -3.757 16.062 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.869 -2.245 16.899 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.029 -3.502 17.616 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.336 -2.663 16.242 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.758 -4.795 15.763 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.255 -4.744 14.963 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.134 -5.472 16.492 1.00 0.00 H new ATOM 428 N GLU 1 30 9.824 -2.280 10.391 1.00 0.00 N ATOM 429 CA GLU 1 30 9.996 -1.279 9.353 1.00 0.00 C ATOM 430 C GLU 1 30 8.996 -1.512 8.219 1.00 0.00 C ATOM 431 O GLU 1 30 8.317 -0.584 7.784 1.00 0.00 O ATOM 432 CB GLU 1 30 11.433 -1.278 8.825 1.00 0.00 C ATOM 433 CG GLU 1 30 12.236 -0.122 9.424 1.00 0.00 C ATOM 434 CD GLU 1 30 12.352 -0.264 10.943 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.069 -1.194 11.372 1.00 0.00 O ATOM 436 OE2 GLU 1 30 11.723 0.559 11.641 1.00 0.00 O ATOM 0 H GLU 1 30 10.261 -3.180 10.192 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.802 -0.298 9.786 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.915 -2.225 9.069 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.425 -1.195 7.738 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.231 -0.098 8.980 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.755 0.825 9.179 1.00 0.00 H new ATOM 443 N CYS 1 31 8.936 -2.759 7.773 1.00 0.00 N ATOM 444 CA CYS 1 31 8.031 -3.127 6.698 1.00 0.00 C ATOM 445 C CYS 1 31 6.612 -2.727 7.108 1.00 0.00 C ATOM 446 O CYS 1 31 5.909 -2.056 6.353 1.00 0.00 O ATOM 447 CB CYS 1 31 8.129 -4.615 6.360 1.00 0.00 C ATOM 448 SG CYS 1 31 9.443 -5.045 5.161 1.00 0.00 S ATOM 0 H CYS 1 31 9.500 -3.527 8.137 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.309 -2.596 5.787 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.301 -5.172 7.281 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.170 -4.947 5.961 1.00 0.00 H new ATOM 453 N ASN 1 32 6.232 -3.156 8.303 1.00 0.00 N ATOM 454 CA ASN 1 32 4.910 -2.851 8.822 1.00 0.00 C ATOM 455 C ASN 1 32 4.803 -1.347 9.080 1.00 0.00 C ATOM 456 O ASN 1 32 3.738 -0.850 9.446 1.00 0.00 O ATOM 457 CB ASN 1 32 4.656 -3.577 10.144 1.00 0.00 C ATOM 458 CG ASN 1 32 3.834 -4.848 9.923 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.424 -5.743 9.134 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.739 -5.007 10.434 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.817 -3.712 8.926 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.175 -3.176 8.085 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.607 -3.832 10.612 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.130 -2.915 10.831 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.344 -4.279 11.030 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.218 -5.868 10.266 1.00 0.00 H new ATOM 467 N ASN 1 33 5.919 -0.663 8.881 1.00 0.00 N ATOM 468 CA ASN 1 33 5.965 0.774 9.087 1.00 0.00 C ATOM 469 C ASN 1 33 5.974 1.481 7.730 1.00 0.00 C ATOM 470 O ASN 1 33 5.526 2.620 7.616 1.00 0.00 O ATOM 471 CB ASN 1 33 7.230 1.183 9.842 1.00 0.00 C ATOM 472 CG ASN 1 33 7.152 2.642 10.296 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.155 3.321 10.118 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.257 3.084 10.890 1.00 0.00 N ATOM 0 H ASN 1 33 6.800 -1.078 8.579 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.090 1.058 9.671 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.365 0.536 10.709 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.101 1.044 9.201 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.305 4.045 11.228 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.057 2.462 11.007 1.00 0.00 H new ATOM 481 N ARG 1 34 6.492 0.774 6.736 1.00 0.00 N ATOM 482 CA ARG 1 34 6.567 1.320 5.391 1.00 0.00 C ATOM 483 C ARG 1 34 5.247 1.090 4.651 1.00 0.00 C ATOM 484 O ARG 1 34 4.914 1.829 3.726 1.00 0.00 O ATOM 485 CB ARG 1 34 7.706 0.676 4.598 1.00 0.00 C ATOM 486 CG ARG 1 34 8.923 0.427 5.491 1.00 0.00 C ATOM 487 CD ARG 1 34 10.213 0.871 4.798 1.00 0.00 C ATOM 488 NE ARG 1 34 11.194 1.334 5.804 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.427 1.768 5.507 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.836 1.800 4.230 1.00 0.00 N ATOM 491 NH2 ARG 1 34 13.251 2.169 6.484 1.00 0.00 N ATOM 0 H ARG 1 34 6.863 -0.171 6.835 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.759 2.390 5.477 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.367 -0.266 4.168 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.987 1.323 3.767 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.806 0.968 6.430 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.986 -0.633 5.739 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.631 0.044 4.224 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.999 1.673 4.091 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.915 1.322 6.785 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.209 1.494 3.486 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.774 2.130 4.003 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.940 2.144 7.455 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 14.189 2.499 6.257 1.00 0.00 H new ATOM 505 N GLY 1 35 4.532 0.064 5.087 1.00 0.00 N ATOM 506 CA GLY 1 35 3.257 -0.272 4.478 1.00 0.00 C ATOM 507 C GLY 1 35 3.272 -1.698 3.924 1.00 0.00 C ATOM 508 O GLY 1 35 2.536 -2.013 2.991 1.00 0.00 O ATOM 0 H GLY 1 35 4.812 -0.546 5.855 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.461 -0.173 5.216 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.037 0.431 3.675 1.00 0.00 H new ATOM 512 N CYS 1 36 4.120 -2.522 4.521 1.00 0.00 N ATOM 513 CA CYS 1 36 4.242 -3.907 4.100 1.00 0.00 C ATOM 514 C CYS 1 36 3.915 -4.804 5.295 1.00 0.00 C ATOM 515 O CYS 1 36 3.576 -4.313 6.370 1.00 0.00 O ATOM 516 CB CYS 1 36 5.628 -4.204 3.525 1.00 0.00 C ATOM 517 SG CYS 1 36 6.155 -3.086 2.176 1.00 0.00 S ATOM 0 H CYS 1 36 4.730 -2.257 5.294 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.536 -4.107 3.294 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.360 -4.148 4.331 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.640 -5.229 3.154 1.00 0.00 H new ATOM 522 N CYS 1 37 4.030 -6.104 5.068 1.00 0.00 N ATOM 523 CA CYS 1 37 3.752 -7.075 6.113 1.00 0.00 C ATOM 524 C CYS 1 37 4.933 -8.044 6.194 1.00 0.00 C ATOM 525 O CYS 1 37 5.274 -8.697 5.210 1.00 0.00 O ATOM 526 CB CYS 1 37 2.429 -7.805 5.869 1.00 0.00 C ATOM 527 SG CYS 1 37 1.649 -8.500 7.371 1.00 0.00 S ATOM 0 H CYS 1 37 4.312 -6.508 4.175 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.638 -6.563 7.069 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.729 -7.113 5.400 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.602 -8.614 5.159 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.537 -9.092 7.048 1.00 0.00 H new ATOM 532 N PHE 1 38 5.523 -8.109 7.379 1.00 0.00 N ATOM 533 CA PHE 1 38 6.658 -8.989 7.602 1.00 0.00 C ATOM 534 C PHE 1 38 6.195 -10.385 8.022 1.00 0.00 C ATOM 535 O PHE 1 38 5.474 -10.533 9.008 1.00 0.00 O ATOM 536 CB PHE 1 38 7.483 -8.375 8.736 1.00 0.00 C ATOM 537 CG PHE 1 38 8.841 -9.046 8.951 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.908 -8.678 8.192 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.980 -10.010 9.900 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.169 -9.301 8.392 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.241 -10.632 10.099 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.308 -10.266 9.341 1.00 0.00 C ATOM 0 H PHE 1 38 5.237 -7.567 8.194 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.238 -9.089 6.684 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.641 -7.317 8.525 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.910 -8.433 9.661 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.797 -7.913 7.438 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.132 -10.302 10.502 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.017 -9.009 7.791 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.352 -11.397 10.853 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.266 -10.741 9.492 1.00 0.00 H new ATOM 552 N ASP 1 39 6.630 -11.373 7.254 1.00 0.00 N ATOM 553 CA ASP 1 39 6.269 -12.753 7.532 1.00 0.00 C ATOM 554 C ASP 1 39 7.318 -13.372 8.459 1.00 0.00 C ATOM 555 O ASP 1 39 7.136 -13.405 9.675 1.00 0.00 O ATOM 556 CB ASP 1 39 6.224 -13.581 6.248 1.00 0.00 C ATOM 557 CG ASP 1 39 6.012 -15.083 6.454 1.00 0.00 C ATOM 558 OD1 ASP 1 39 4.918 -15.441 6.941 1.00 0.00 O ATOM 559 OD2 ASP 1 39 6.950 -15.838 6.119 1.00 0.00 O ATOM 0 H ASP 1 39 7.230 -11.245 6.439 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.283 -12.757 7.996 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.422 -13.200 5.615 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.157 -13.432 5.705 1.00 0.00 H new ATOM 564 N SER 1 40 8.393 -13.847 7.847 1.00 0.00 N ATOM 565 CA SER 1 40 9.472 -14.463 8.602 1.00 0.00 C ATOM 566 C SER 1 40 9.214 -15.963 8.751 1.00 0.00 C ATOM 567 O SER 1 40 10.119 -16.721 9.099 1.00 0.00 O ATOM 568 CB SER 1 40 9.626 -13.810 9.976 1.00 0.00 C ATOM 569 OG SER 1 40 10.981 -13.799 10.414 1.00 0.00 O ATOM 0 H SER 1 40 8.540 -13.818 6.838 1.00 0.00 H new ATOM 0 HA SER 1 40 10.403 -14.314 8.054 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.250 -12.788 9.935 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.015 -14.346 10.702 1.00 0.00 H new ATOM 0 HG SER 1 40 11.363 -12.907 10.275 1.00 0.00 H new ATOM 575 N ARG 1 41 7.975 -16.349 8.483 1.00 0.00 N ATOM 576 CA ARG 1 41 7.587 -17.745 8.585 1.00 0.00 C ATOM 577 C ARG 1 41 8.349 -18.584 7.557 1.00 0.00 C ATOM 578 O ARG 1 41 8.832 -19.671 7.873 1.00 0.00 O ATOM 579 CB ARG 1 41 6.084 -17.917 8.357 1.00 0.00 C ATOM 580 CG ARG 1 41 5.280 -17.229 9.464 1.00 0.00 C ATOM 581 CD ARG 1 41 4.171 -18.144 9.986 1.00 0.00 C ATOM 582 NE ARG 1 41 4.720 -19.085 10.987 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.006 -20.052 11.579 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.711 -20.211 11.275 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.587 -20.860 12.477 1.00 0.00 N ATOM 0 H ARG 1 41 7.227 -15.719 8.195 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.832 -18.084 9.591 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.809 -17.499 7.389 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.836 -18.978 8.328 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.944 -16.953 10.283 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.845 -16.306 9.082 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.376 -17.547 10.434 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.726 -18.698 9.159 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.703 -18.992 11.242 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.268 -19.596 10.593 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.168 -20.947 11.726 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.573 -20.739 12.710 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.043 -21.596 12.928 1.00 0.00 H new ATOM 599 N ILE 1 42 8.434 -18.047 6.348 1.00 0.00 N ATOM 600 CA ILE 1 42 9.130 -18.733 5.273 1.00 0.00 C ATOM 601 C ILE 1 42 10.257 -17.840 4.748 1.00 0.00 C ATOM 602 O ILE 1 42 9.999 -16.824 4.104 1.00 0.00 O ATOM 603 CB ILE 1 42 8.142 -19.175 4.191 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.780 -19.514 4.799 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.709 -20.336 3.371 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.919 -20.303 3.810 1.00 0.00 C ATOM 0 H ILE 1 42 8.033 -17.146 6.090 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.593 -19.648 5.643 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.991 -18.341 3.505 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.919 -20.096 5.710 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.266 -18.596 5.083 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 7.987 -20.630 2.609 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.636 -20.023 2.890 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.908 -21.182 4.028 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.956 -20.531 4.267 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.762 -19.709 2.910 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.425 -21.232 3.547 1.00 0.00 H new ATOM 618 N PRO 1 43 11.514 -18.262 5.052 1.00 0.00 N ATOM 619 CA PRO 1 43 12.679 -17.512 4.619 1.00 0.00 C ATOM 620 C PRO 1 43 12.936 -17.712 3.124 1.00 0.00 C ATOM 621 O PRO 1 43 13.840 -17.099 2.558 1.00 0.00 O ATOM 622 CB PRO 1 43 13.818 -18.017 5.490 1.00 0.00 C ATOM 623 CG PRO 1 43 13.353 -19.351 6.053 1.00 0.00 C ATOM 624 CD PRO 1 43 11.856 -19.460 5.813 1.00 0.00 C ATOM 0 HA PRO 1 43 12.553 -16.436 4.735 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.732 -18.136 4.908 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.040 -17.311 6.291 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.878 -20.174 5.569 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.575 -19.414 7.118 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.609 -20.365 5.258 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.306 -19.502 6.753 1.00 0.00 H new ATOM 632 N GLY 1 44 12.125 -18.573 2.528 1.00 0.00 N ATOM 633 CA GLY 1 44 12.253 -18.861 1.108 1.00 0.00 C ATOM 634 C GLY 1 44 11.321 -17.972 0.282 1.00 0.00 C ATOM 635 O GLY 1 44 11.371 -17.988 -0.947 1.00 0.00 O ATOM 0 H GLY 1 44 11.377 -19.081 3.001 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.285 -18.704 0.793 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.019 -19.910 0.923 1.00 0.00 H new ATOM 639 N VAL 1 45 10.494 -17.217 0.990 1.00 0.00 N ATOM 640 CA VAL 1 45 9.553 -16.322 0.336 1.00 0.00 C ATOM 641 C VAL 1 45 9.800 -14.891 0.817 1.00 0.00 C ATOM 642 O VAL 1 45 10.738 -14.638 1.572 1.00 0.00 O ATOM 643 CB VAL 1 45 8.120 -16.798 0.586 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.056 -18.325 0.665 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.542 -16.158 1.849 1.00 0.00 C ATOM 0 H VAL 1 45 10.456 -17.206 2.009 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.702 -16.332 -0.744 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.509 -16.481 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.027 -18.637 0.843 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.408 -18.753 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.688 -18.674 1.482 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.523 -16.513 2.003 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.155 -16.430 2.708 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.535 -15.074 1.737 1.00 0.00 H new ATOM 655 N PRO 1 46 8.919 -13.967 0.347 1.00 0.00 N ATOM 656 CA PRO 1 46 9.031 -12.568 0.721 1.00 0.00 C ATOM 657 C PRO 1 46 8.555 -12.342 2.156 1.00 0.00 C ATOM 658 O PRO 1 46 7.388 -12.574 2.470 1.00 0.00 O ATOM 659 CB PRO 1 46 8.198 -11.818 -0.306 1.00 0.00 C ATOM 660 CG PRO 1 46 7.278 -12.854 -0.933 1.00 0.00 C ATOM 661 CD PRO 1 46 7.796 -14.230 -0.548 1.00 0.00 C ATOM 0 HA PRO 1 46 10.062 -12.214 0.715 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.624 -11.020 0.164 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.833 -11.353 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.255 -12.719 -0.581 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.260 -12.742 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.024 -14.819 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.113 -14.794 -1.426 1.00 0.00 H new ATOM 669 N TRP 1 47 9.482 -11.895 2.990 1.00 0.00 N ATOM 670 CA TRP 1 47 9.170 -11.636 4.386 1.00 0.00 C ATOM 671 C TRP 1 47 8.769 -10.166 4.516 1.00 0.00 C ATOM 672 O TRP 1 47 8.987 -9.548 5.558 1.00 0.00 O ATOM 673 CB TRP 1 47 10.345 -12.017 5.289 1.00 0.00 C ATOM 674 CG TRP 1 47 11.453 -12.793 4.575 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.496 -14.103 4.298 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.685 -12.251 4.055 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.661 -14.443 3.640 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.407 -13.280 3.487 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.174 -10.931 4.064 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.658 -13.100 2.887 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.425 -10.767 3.459 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.165 -11.794 2.884 1.00 0.00 C ATOM 0 H TRP 1 47 10.449 -11.705 2.727 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.336 -12.255 4.716 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.770 -11.109 5.718 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 9.972 -12.617 6.119 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.717 -14.805 4.557 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.926 -15.376 3.324 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.627 -10.110 4.503 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.203 -13.923 2.450 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.845 -9.772 3.437 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.126 -11.586 2.437 1.00 0.00 H new ATOM 693 N CYS 1 48 8.188 -9.647 3.444 1.00 0.00 N ATOM 694 CA CYS 1 48 7.753 -8.261 3.426 1.00 0.00 C ATOM 695 C CYS 1 48 6.943 -8.027 2.149 1.00 0.00 C ATOM 696 O CYS 1 48 7.493 -8.041 1.050 1.00 0.00 O ATOM 697 CB CYS 1 48 8.936 -7.295 3.536 1.00 0.00 C ATOM 698 SG CYS 1 48 8.480 -5.524 3.569 1.00 0.00 S ATOM 0 H CYS 1 48 8.009 -10.162 2.582 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.125 -8.064 4.295 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.495 -7.529 4.442 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.607 -7.467 2.695 1.00 0.00 H new ATOM 703 N PHE 1 49 5.648 -7.821 2.338 1.00 0.00 N ATOM 704 CA PHE 1 49 4.756 -7.585 1.215 1.00 0.00 C ATOM 705 C PHE 1 49 3.630 -6.624 1.601 1.00 0.00 C ATOM 706 O PHE 1 49 3.680 -5.996 2.657 1.00 0.00 O ATOM 707 CB PHE 1 49 4.149 -8.938 0.835 1.00 0.00 C ATOM 708 CG PHE 1 49 4.049 -9.924 2.000 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.177 -10.479 2.520 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.833 -10.245 2.518 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.083 -11.394 3.602 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.739 -11.161 3.599 1.00 0.00 C ATOM 713 CZ PHE 1 49 3.866 -11.716 4.118 1.00 0.00 C ATOM 0 H PHE 1 49 5.195 -7.813 3.252 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.309 -7.140 0.388 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.153 -8.775 0.424 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.751 -9.386 0.044 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.143 -10.224 2.110 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 1.938 -9.803 2.107 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 5.978 -11.835 4.016 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.773 -11.416 4.008 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.795 -12.413 4.940 1.00 0.00 H new ATOM 723 N LYS 1 50 2.641 -6.540 0.724 1.00 0.00 N ATOM 724 CA LYS 1 50 1.504 -5.666 0.960 1.00 0.00 C ATOM 725 C LYS 1 50 0.221 -6.500 0.983 1.00 0.00 C ATOM 726 O LYS 1 50 -0.606 -6.399 0.077 1.00 0.00 O ATOM 727 CB LYS 1 50 1.481 -4.529 -0.064 1.00 0.00 C ATOM 728 CG LYS 1 50 2.506 -4.771 -1.173 1.00 0.00 C ATOM 729 CD LYS 1 50 3.892 -4.272 -0.758 1.00 0.00 C ATOM 730 CE LYS 1 50 3.826 -2.832 -0.245 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.918 -2.023 -1.089 1.00 0.00 N ATOM 0 H LYS 1 50 2.603 -7.063 -0.151 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.589 -5.185 1.934 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.484 -4.445 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.694 -3.583 0.433 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.553 -5.835 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.190 -4.261 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.298 -4.920 0.019 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.572 -4.328 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.477 -2.823 0.788 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.823 -2.392 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.237 -1.033 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.926 -2.393 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.952 -2.074 -0.707 1.00 0.00 H new ATOM 745 N PRO 1 51 0.091 -7.327 2.055 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.077 -8.177 2.206 1.00 0.00 C ATOM 747 C PRO 1 51 -2.295 -7.363 2.644 1.00 0.00 C ATOM 748 O PRO 1 51 -2.935 -6.705 1.824 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.668 -9.228 3.225 1.00 0.00 C ATOM 750 CG PRO 1 51 0.541 -8.659 3.950 1.00 0.00 C ATOM 751 CD PRO 1 51 1.050 -7.473 3.146 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.381 -8.645 1.270 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.481 -9.433 3.922 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.422 -10.171 2.736 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.270 -8.348 4.959 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.319 -9.416 4.048 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.096 -6.571 3.756 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.056 -7.653 2.768 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.580 -7.431 3.936 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.711 -6.708 4.493 1.00 0.00 C ATOM 761 C LEU 1 52 -3.263 -5.301 4.895 1.00 0.00 C ATOM 762 O LEU 1 52 -3.788 -4.727 5.847 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.344 -7.501 5.637 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.942 -7.077 7.051 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.262 -8.177 8.065 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.471 -6.661 7.101 1.00 0.00 C ATOM 0 H LEU 1 52 -2.047 -7.976 4.614 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.495 -6.593 3.744 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.428 -7.423 5.550 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.089 -8.553 5.508 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.533 -6.204 7.327 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.966 -7.850 9.062 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.332 -8.383 8.053 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.716 -9.083 7.803 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.211 -6.364 8.117 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -1.845 -7.500 6.797 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.307 -5.822 6.425 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.296 -4.786 4.149 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.772 -3.458 4.415 1.00 0.00 C ATOM 780 C GLN 1 53 -2.910 -2.437 4.462 1.00 0.00 C ATOM 781 O GLN 1 53 -2.781 -1.386 5.089 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.724 -3.063 3.372 1.00 0.00 C ATOM 783 CG GLN 1 53 0.498 -3.980 3.449 1.00 0.00 C ATOM 784 CD GLN 1 53 1.099 -3.977 4.857 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.352 -5.011 5.453 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.312 -2.761 5.351 1.00 0.00 N ATOM 0 H GLN 1 53 -1.862 -5.265 3.360 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.282 -3.471 5.388 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.160 -3.116 2.375 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.418 -2.029 3.532 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.213 -4.995 3.174 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.248 -3.653 2.729 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.077 -1.937 4.797 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.711 -2.652 6.284 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.000 -2.782 3.791 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.160 -1.909 3.748 1.00 0.00 C ATOM 797 C GLU 1 54 -5.364 -1.229 5.104 1.00 0.00 C ATOM 798 O GLU 1 54 -5.900 -0.124 5.175 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.412 -2.681 3.329 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.680 -1.887 3.652 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.315 -2.376 4.955 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.949 -3.452 4.909 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.152 -1.662 5.969 1.00 0.00 O ATOM 0 H GLU 1 54 -4.104 -3.654 3.273 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.981 -1.137 2.999 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.373 -2.892 2.260 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.440 -3.642 3.843 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.439 -0.827 3.736 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -8.394 -1.987 2.835 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.925 -1.919 6.148 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.052 -1.396 7.497 1.00 0.00 C ATOM 812 C ALA 1 55 -4.820 0.117 7.478 1.00 0.00 C ATOM 813 O ALA 1 55 -5.669 0.883 7.930 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.073 -2.123 8.421 1.00 0.00 C ATOM 0 H ALA 1 55 -4.481 -2.835 6.086 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.056 -1.571 7.882 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.168 -1.730 9.433 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.298 -3.190 8.423 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.054 -1.968 8.066 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.668 0.500 6.949 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.315 1.907 6.865 1.00 0.00 C ATOM 822 C GLU 1 56 -2.634 2.204 5.527 1.00 0.00 C ATOM 823 O GLU 1 56 -1.922 3.198 5.395 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.423 2.320 8.037 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.753 3.739 8.504 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.585 4.345 9.283 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -0.435 3.975 8.961 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -1.867 5.165 10.183 1.00 0.00 O ATOM 0 H GLU 1 56 -2.967 -0.139 6.574 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.231 2.495 6.924 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.555 1.621 8.863 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.376 2.266 7.739 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -2.984 4.365 7.642 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.644 3.721 9.132 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.875 1.321 4.568 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.293 1.477 3.245 1.00 0.00 C ATOM 837 C CYS 1 57 -3.327 2.154 2.342 1.00 0.00 C ATOM 838 O CYS 1 57 -3.204 3.336 2.029 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.825 0.138 2.672 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.298 0.225 1.668 1.00 0.00 S ATOM 0 H CYS 1 57 -3.465 0.496 4.681 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.402 2.102 3.308 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.662 -0.557 3.496 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.624 -0.277 2.058 1.00 0.00 H new ATOM 845 N THR 1 58 -4.324 1.374 1.950 1.00 0.00 N ATOM 846 CA THR 1 58 -5.378 1.882 1.089 1.00 0.00 C ATOM 847 C THR 1 58 -6.129 3.021 1.783 1.00 0.00 C ATOM 848 O THR 1 58 -6.453 4.028 1.156 1.00 0.00 O ATOM 849 CB THR 1 58 -6.278 0.709 0.700 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.702 1.021 -0.625 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.578 0.674 1.508 1.00 0.00 C ATOM 0 H THR 1 58 -4.424 0.394 2.213 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.969 2.313 0.175 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.736 -0.226 0.843 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.590 0.639 -0.783 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.180 -0.178 1.192 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.345 0.580 2.569 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.136 1.595 1.339 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.384 2.823 3.067 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.091 3.820 3.852 1.00 0.00 C ATOM 861 C PHE 1 59 -6.726 5.235 3.400 1.00 0.00 C ATOM 862 O PHE 1 59 -6.418 6.095 4.224 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.656 3.635 5.308 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.214 4.690 6.264 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.544 4.711 6.553 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.383 5.608 6.825 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.062 5.690 7.440 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -6.901 6.588 7.713 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.230 6.609 8.001 1.00 0.00 C ATOM 0 H PHE 1 59 -6.114 1.986 3.584 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.167 3.694 3.729 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.972 2.649 5.648 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.567 3.656 5.356 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.205 3.983 6.107 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.328 5.592 6.595 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.117 5.706 7.670 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -6.240 7.316 8.159 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -8.625 7.355 8.675 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.550 15.555 -0.519 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.288 14.490 0.138 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.344 13.318 0.417 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.791 12.224 0.756 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.425 13.980 -0.748 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.354 12.961 -0.086 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.180 12.742 1.132 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.219 12.424 -0.812 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.703 14.889 1.063 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.020 14.832 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.994 13.529 -1.642 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.056 13.588 0.263 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.045 12.570 0.494 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.538 12.643 1.935 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.912 13.544 2.684 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.864 12.739 -0.464 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.350 13.045 -1.883 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.510 14.153 -2.522 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.020 14.456 -3.878 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.258 14.906 -4.884 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.947 15.109 -4.692 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.807 15.154 -6.080 1.00 0.00 N ATOM 0 H ARG 2 18 -6.689 14.497 -0.019 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.506 11.599 0.316 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.220 13.546 -0.114 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.262 11.830 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.294 12.143 -2.493 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.397 13.347 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.544 15.049 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.466 13.843 -2.578 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.014 14.313 -4.058 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.530 14.921 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.366 15.452 -5.458 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.805 15.000 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.227 15.497 -6.846 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.693 11.682 2.282 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.132 11.627 3.620 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.684 12.122 3.582 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.914 11.875 4.508 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.263 10.211 4.185 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.876 10.172 5.664 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.677 9.666 3.973 1.00 0.00 C ATOM 0 H VAL 2 19 -4.384 10.936 1.659 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.684 12.284 4.292 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.571 9.568 3.642 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.978 9.154 6.040 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.843 10.499 5.778 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.531 10.835 6.229 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.744 8.658 4.383 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.395 10.312 4.478 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.900 9.639 2.906 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.358 12.814 2.500 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.016 13.346 2.328 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.005 12.375 2.939 1.00 0.00 C ATOM 1162 O ASP 2 20 0.380 12.521 4.098 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.865 14.694 3.037 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.558 15.029 3.490 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.495 14.549 2.817 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.675 15.759 4.498 1.00 0.00 O ATOM 0 H ASP 2 20 -3.000 13.019 1.734 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.838 13.477 1.261 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.212 15.481 2.367 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.520 14.705 3.908 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.398 11.404 2.131 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.358 10.409 2.577 1.00 0.00 C ATOM 1173 C CYS 2 21 2.559 11.137 3.182 1.00 0.00 C ATOM 1174 O CYS 2 21 3.140 10.677 4.163 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.771 9.472 1.440 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.007 7.726 1.933 1.00 0.00 S ATOM 0 H CYS 2 21 0.077 11.286 1.170 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.901 9.773 3.335 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.012 9.515 0.659 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.699 9.840 1.003 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.897 12.263 2.571 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.019 13.061 3.036 1.00 0.00 C ATOM 1183 C GLY 2 22 5.286 12.211 3.149 1.00 0.00 C ATOM 1184 O GLY 2 22 5.863 12.090 4.228 1.00 0.00 O ATOM 0 H GLY 2 22 2.413 12.642 1.757 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.192 13.888 2.348 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.782 13.498 4.006 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.682 11.643 2.019 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.869 10.808 1.976 1.00 0.00 C ATOM 1190 C TYR 2 23 8.110 11.636 1.634 1.00 0.00 C ATOM 1191 O TYR 2 23 8.049 12.534 0.795 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.629 9.788 0.861 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.454 8.352 1.359 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.563 7.590 1.667 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.190 7.819 1.500 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.400 6.238 2.136 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.026 6.467 1.969 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.139 5.744 2.264 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.985 4.467 2.706 1.00 0.00 O ATOM 0 H TYR 2 23 5.201 11.745 1.126 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.041 10.337 2.944 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.740 10.079 0.302 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.468 9.821 0.166 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.553 8.008 1.556 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.323 8.416 1.259 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.259 5.631 2.380 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.042 6.038 2.084 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.031 4.249 2.749 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.235 11.296 2.318 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.488 11.998 2.095 1.00 0.00 C ATOM 1211 C PRO 2 24 11.124 11.575 0.770 1.00 0.00 C ATOM 1212 O PRO 2 24 12.162 12.107 0.378 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.348 11.660 3.302 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.727 10.419 3.923 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.343 10.238 3.319 1.00 0.00 C ATOM 0 HA PRO 2 24 10.357 13.076 2.006 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.380 11.474 3.006 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.365 12.486 4.013 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.346 9.544 3.727 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.660 10.527 5.006 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.234 9.252 2.867 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.565 10.329 4.077 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.477 10.621 0.117 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.967 10.121 -1.157 1.00 0.00 C ATOM 1225 C HIS 2 25 9.856 10.211 -2.205 1.00 0.00 C ATOM 1226 O HIS 2 25 9.961 9.618 -3.278 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.527 8.705 -1.004 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.894 8.516 -1.616 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.175 8.829 -2.934 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.055 8.045 -1.076 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.451 8.553 -3.167 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.994 8.068 -2.014 1.00 0.00 N ATOM 0 H HIS 2 25 9.618 10.181 0.446 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.794 10.741 -1.503 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.578 8.458 0.056 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.834 8.000 -1.463 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.188 7.710 -0.058 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 14.969 8.689 -4.105 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.962 7.772 -1.892 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.818 10.956 -1.858 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.689 11.131 -2.755 1.00 0.00 C ATOM 1243 C VAL 2 26 8.200 11.269 -4.190 1.00 0.00 C ATOM 1244 O VAL 2 26 9.043 12.119 -4.473 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.841 12.322 -2.305 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.726 13.503 -1.900 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.847 12.732 -3.394 1.00 0.00 C ATOM 0 H VAL 2 26 8.735 11.446 -0.967 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.038 10.257 -2.724 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.270 12.014 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.098 14.336 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.375 13.205 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.335 13.809 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.257 13.581 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.391 13.012 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.184 11.896 -3.615 1.00 0.00 H new ATOM 1257 N THR 2 27 7.669 10.421 -5.059 1.00 0.00 N ATOM 1258 CA THR 2 27 8.062 10.439 -6.458 1.00 0.00 C ATOM 1259 C THR 2 27 7.069 9.636 -7.301 1.00 0.00 C ATOM 1260 O THR 2 27 6.401 8.737 -6.791 1.00 0.00 O ATOM 1261 CB THR 2 27 9.498 9.920 -6.552 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.232 11.024 -7.077 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.658 8.829 -7.613 1.00 0.00 C ATOM 0 H THR 2 27 6.970 9.717 -4.821 1.00 0.00 H new ATOM 0 HA THR 2 27 8.040 11.451 -6.862 1.00 0.00 H new ATOM 0 HB THR 2 27 9.808 9.531 -5.582 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.159 11.786 -6.465 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.695 8.496 -7.639 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.012 7.986 -7.368 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.381 9.227 -8.589 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.001 9.999 -8.609 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.101 9.322 -9.529 1.00 0.00 C ATOM 1273 C PRO 2 28 6.637 7.939 -9.903 1.00 0.00 C ATOM 1274 O PRO 2 28 6.665 7.578 -11.079 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.981 10.256 -10.721 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.173 11.197 -10.636 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.777 11.058 -9.248 1.00 0.00 C ATOM 0 HA PRO 2 28 5.121 9.128 -9.093 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.990 9.698 -11.657 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.043 10.810 -10.690 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.910 10.950 -11.400 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.861 12.226 -10.816 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.834 10.797 -9.301 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.706 11.992 -8.690 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.051 7.203 -8.881 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.584 5.868 -9.089 1.00 0.00 C ATOM 1287 C LYS 2 29 7.967 5.261 -7.737 1.00 0.00 C ATOM 1288 O LYS 2 29 8.096 4.044 -7.614 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.736 5.902 -10.095 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.779 4.616 -10.923 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.111 4.916 -12.387 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.600 3.658 -13.106 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.475 2.727 -13.346 1.00 0.00 N ATOM 0 H LYS 2 29 7.028 7.506 -7.907 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.826 5.219 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.621 6.761 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.681 6.031 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.525 3.938 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.817 4.108 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.227 5.307 -12.891 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.877 5.690 -12.439 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.062 3.931 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 10.366 3.165 -12.508 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.825 1.878 -13.835 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.051 2.453 -12.437 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 7.757 3.195 -13.935 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.136 6.136 -6.758 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.501 5.702 -5.421 1.00 0.00 C ATOM 1309 C GLU 2 30 7.252 5.563 -4.548 1.00 0.00 C ATOM 1310 O GLU 2 30 7.104 4.581 -3.823 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.508 6.664 -4.787 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.918 6.071 -4.801 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.522 6.128 -6.207 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.238 5.190 -6.984 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.253 7.106 -6.471 1.00 0.00 O ATOM 0 H GLU 2 30 8.027 7.145 -6.864 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.979 4.725 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.502 7.610 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.212 6.882 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.554 6.619 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.885 5.037 -4.457 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.385 6.559 -4.649 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.153 6.560 -3.879 1.00 0.00 C ATOM 1324 C CYS 2 31 4.396 5.266 -4.181 1.00 0.00 C ATOM 1325 O CYS 2 31 4.065 4.508 -3.270 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.304 7.799 -4.170 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.918 9.347 -3.409 1.00 0.00 S ATOM 0 H CYS 2 31 6.511 7.371 -5.253 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.387 6.603 -2.815 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.248 7.939 -5.250 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.288 7.617 -3.820 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.144 5.051 -5.464 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.432 3.861 -5.899 1.00 0.00 C ATOM 1334 C ASN 2 32 4.235 2.620 -5.505 1.00 0.00 C ATOM 1335 O ASN 2 32 3.727 1.502 -5.568 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.256 3.849 -7.418 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.919 4.473 -7.820 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.713 5.685 -7.314 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.126 3.893 -8.544 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.420 5.681 -6.217 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.451 3.861 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.073 4.398 -7.887 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.308 2.824 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.346 2.962 -8.899 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.243 4.339 -8.794 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.477 2.859 -5.109 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.355 1.774 -4.706 1.00 0.00 C ATOM 1348 C ASN 2 33 6.256 1.580 -3.191 1.00 0.00 C ATOM 1349 O ASN 2 33 6.425 0.468 -2.691 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.812 2.089 -5.048 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.590 0.809 -5.365 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.029 -0.256 -5.561 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.909 0.973 -5.402 1.00 0.00 N ATOM 0 H ASN 2 33 5.896 3.788 -5.059 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.046 0.874 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.851 2.764 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.282 2.607 -4.212 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.516 0.179 -5.604 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.314 1.893 -5.228 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.984 2.679 -2.503 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.861 2.643 -1.055 1.00 0.00 C ATOM 1362 C ARG 2 34 4.429 2.283 -0.652 1.00 0.00 C ATOM 1363 O ARG 2 34 4.201 1.746 0.430 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.232 3.993 -0.438 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.384 4.648 -1.203 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.468 5.145 -0.245 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.806 4.945 -0.847 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.954 5.003 -0.160 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.937 5.253 1.157 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.122 4.810 -0.789 1.00 0.00 N ATOM 0 H ARG 2 34 5.845 3.599 -2.921 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.549 1.884 -0.683 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.364 4.652 -0.447 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.516 3.854 0.605 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.814 3.932 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.005 5.483 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.314 6.201 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.402 4.609 0.702 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.856 4.751 -1.847 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.049 5.399 1.637 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.812 5.297 1.679 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.136 4.619 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.996 4.854 -0.266 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.501 2.594 -1.546 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.098 2.310 -1.297 1.00 0.00 C ATOM 1386 C GLY 2 35 1.268 3.595 -1.305 1.00 0.00 C ATOM 1387 O GLY 2 35 0.201 3.653 -0.696 1.00 0.00 O ATOM 0 H GLY 2 35 3.694 3.040 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.722 1.625 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.990 1.809 -0.335 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.791 4.595 -2.000 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.112 5.876 -2.095 1.00 0.00 C ATOM 1393 C CYS 2 36 0.845 6.170 -3.573 1.00 0.00 C ATOM 1394 O CYS 2 36 1.372 5.487 -4.450 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.917 6.993 -1.427 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.246 6.741 0.355 1.00 0.00 S ATOM 0 H CYS 2 36 2.677 4.544 -2.503 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.164 5.829 -1.558 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.869 7.096 -1.947 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.381 7.934 -1.554 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.027 7.186 -3.802 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.316 7.580 -5.158 1.00 0.00 C ATOM 1403 C CYS 2 37 0.247 8.980 -5.409 1.00 0.00 C ATOM 1404 O CYS 2 37 0.015 9.896 -4.622 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.826 7.519 -5.399 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.316 7.320 -7.151 1.00 0.00 S ATOM 0 H CYS 2 37 -0.409 7.749 -3.071 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.127 6.880 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.238 6.689 -4.825 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.279 8.431 -5.011 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.612 7.278 -7.237 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.974 9.101 -6.510 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.571 10.374 -6.875 1.00 0.00 C ATOM 1413 C PHE 2 38 0.659 11.156 -7.822 1.00 0.00 C ATOM 1414 O PHE 2 38 0.351 10.690 -8.918 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.885 10.062 -7.593 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.786 11.281 -7.800 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.538 11.755 -6.770 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.836 11.892 -9.014 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.374 12.887 -6.962 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.672 13.024 -9.207 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.423 13.497 -8.177 1.00 0.00 C ATOM 0 H PHE 2 38 1.163 8.339 -7.161 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.729 10.980 -5.983 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.431 9.313 -7.020 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.661 9.620 -8.564 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.499 11.270 -5.806 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.239 11.516 -9.832 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.970 13.263 -6.144 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.711 13.509 -10.171 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.059 14.358 -8.324 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.254 12.333 -7.367 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.616 13.183 -8.160 1.00 0.00 C ATOM 1433 C ASP 2 39 0.228 13.987 -9.152 1.00 0.00 C ATOM 1434 O ASP 2 39 0.343 13.615 -10.318 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.376 14.173 -7.275 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.274 15.157 -8.028 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.269 14.680 -8.616 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.946 16.362 -7.996 1.00 0.00 O ATOM 0 H ASP 2 39 0.513 12.718 -6.458 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.329 12.543 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.989 13.611 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.654 14.740 -6.687 1.00 0.00 H new ATOM 1443 N SER 2 40 0.797 15.073 -8.650 1.00 0.00 N ATOM 1444 CA SER 2 40 1.628 15.932 -9.477 1.00 0.00 C ATOM 1445 C SER 2 40 0.759 16.963 -10.198 1.00 0.00 C ATOM 1446 O SER 2 40 1.270 17.943 -10.739 1.00 0.00 O ATOM 1447 CB SER 2 40 2.430 15.112 -10.490 1.00 0.00 C ATOM 1448 OG SER 2 40 3.702 15.696 -10.760 1.00 0.00 O ATOM 0 H SER 2 40 0.699 15.378 -7.682 1.00 0.00 H new ATOM 0 HA SER 2 40 2.335 16.451 -8.829 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.569 14.100 -10.109 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.865 15.029 -11.418 1.00 0.00 H new ATOM 0 HG SER 2 40 4.185 15.143 -11.410 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.541 16.709 -10.184 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.487 17.604 -10.829 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.515 18.954 -10.112 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.479 20.003 -10.754 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.895 17.007 -10.833 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.929 15.684 -11.602 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.145 15.619 -12.528 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.705 15.598 -13.941 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.541 15.576 -14.988 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.865 15.571 -14.788 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.052 15.557 -16.236 1.00 0.00 N ATOM 0 H ARG 2 41 -0.962 15.895 -9.736 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.161 17.744 -11.860 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.227 16.844 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.592 17.713 -11.286 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.016 15.576 -12.187 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.958 14.851 -10.899 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.732 14.728 -12.308 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.792 16.478 -12.353 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.703 15.600 -14.130 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.237 15.584 -13.839 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.501 15.554 -15.585 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.043 15.559 -16.389 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.688 15.540 -17.033 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.578 18.885 -8.790 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.611 20.090 -7.979 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.418 20.088 -7.021 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.340 19.251 -6.123 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.964 20.226 -7.277 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.089 19.645 -8.136 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.235 21.681 -6.886 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.443 20.232 -7.734 1.00 0.00 C ATOM 0 H ILE 2 42 -1.607 18.014 -8.261 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.514 20.975 -8.607 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.930 19.645 -6.355 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.895 19.856 -9.188 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.112 18.561 -8.027 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.203 21.750 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.454 22.027 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.242 22.303 -7.781 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.226 19.803 -8.359 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.645 19.998 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.425 21.314 -7.867 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.506 21.057 -7.252 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.692 21.175 -6.420 1.00 0.00 C ATOM 1499 C PRO 2 43 1.348 21.779 -5.056 1.00 0.00 C ATOM 1500 O PRO 2 43 2.206 21.871 -4.180 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.653 22.035 -7.223 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.805 22.749 -8.263 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.448 22.066 -8.306 1.00 0.00 C ATOM 0 HA PRO 2 43 2.140 20.209 -6.189 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.167 22.750 -6.581 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.421 21.424 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.694 23.803 -8.007 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.285 22.707 -9.241 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.359 22.777 -8.129 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.264 21.611 -9.279 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.090 22.173 -4.920 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.378 22.765 -3.679 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.020 21.709 -2.776 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.414 22.008 -1.650 1.00 0.00 O ATOM 0 H GLY 2 44 -0.619 22.094 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.457 23.235 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.101 23.551 -3.897 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.103 20.497 -3.304 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.690 19.396 -2.560 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.655 18.279 -2.409 1.00 0.00 C ATOM 1521 O VAL 2 45 0.472 18.405 -2.884 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.977 18.929 -3.244 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.671 20.090 -3.958 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.697 17.778 -4.212 1.00 0.00 C ATOM 0 H VAL 2 45 -0.774 20.253 -4.238 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.969 19.719 -1.557 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.652 18.560 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.583 19.731 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.922 20.865 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.004 20.503 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.628 17.465 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.995 18.109 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.268 16.939 -3.665 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.086 17.185 -1.725 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.209 16.048 -1.505 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.044 15.226 -2.786 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.005 14.636 -3.277 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.858 15.264 -0.377 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.303 15.731 -0.321 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.413 17.002 -1.147 1.00 0.00 C ATOM 0 HA PRO 2 46 0.805 16.345 -1.235 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.801 14.192 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.351 15.450 0.570 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.968 14.962 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.604 15.918 0.710 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.173 16.906 -1.923 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.696 17.853 -0.528 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.182 15.215 -3.289 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.485 14.476 -4.502 1.00 0.00 C ATOM 1550 C TRP 2 47 1.923 13.066 -4.100 1.00 0.00 C ATOM 1551 O TRP 2 47 2.724 12.440 -4.792 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.532 15.209 -5.344 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.855 16.619 -4.845 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.136 17.738 -5.008 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.018 17.017 -4.088 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.748 18.823 -4.415 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.928 18.372 -3.839 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.110 16.259 -3.630 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.897 19.085 -3.123 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.070 16.987 -2.918 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.994 18.350 -2.658 1.00 0.00 C ATOM 0 H TRP 2 47 1.976 15.706 -2.878 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.602 14.399 -5.137 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.449 14.620 -5.358 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.178 15.271 -6.373 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.196 17.785 -5.537 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.398 19.781 -4.402 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.201 15.199 -3.813 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.803 20.145 -2.939 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.930 16.452 -2.544 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.778 18.840 -2.100 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.378 12.607 -2.984 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.702 11.283 -2.481 1.00 0.00 C ATOM 1574 C CYS 2 48 0.737 10.953 -1.339 1.00 0.00 C ATOM 1575 O CYS 2 48 0.873 11.480 -0.237 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.163 11.187 -2.040 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.775 9.483 -1.774 1.00 0.00 S ATOM 0 H CYS 2 48 0.713 13.129 -2.413 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.584 10.549 -3.278 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.787 11.669 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.286 11.751 -1.115 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.215 10.084 -1.645 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.201 9.678 -0.658 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.565 8.201 -0.822 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.887 7.467 -1.540 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.450 10.528 -0.897 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.629 10.975 -2.349 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.750 11.852 -2.904 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.668 10.496 -3.085 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.917 12.267 -4.252 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.835 10.911 -4.433 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.955 11.788 -4.988 1.00 0.00 C ATOM 0 H PHE 2 49 -0.325 9.650 -2.562 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.801 9.817 0.346 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.328 9.959 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.404 11.410 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.925 12.233 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.366 9.800 -2.644 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.219 12.963 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.660 10.531 -5.017 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.081 12.104 -6.013 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.635 7.809 -0.146 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.097 6.433 -0.209 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.548 6.408 -0.695 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.457 6.082 0.067 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.888 5.736 1.138 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.380 6.721 2.192 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.858 6.860 2.123 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.187 5.492 1.984 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.824 4.509 2.888 1.00 0.00 N ATOM 0 H LYS 2 50 -3.195 8.420 0.448 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.509 5.866 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.826 5.293 1.472 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.174 4.921 1.023 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.845 7.695 2.039 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.673 6.380 3.185 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.585 7.490 1.277 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.494 7.358 3.022 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.260 5.147 0.953 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.874 5.575 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.118 3.808 3.192 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.205 5.000 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.597 4.027 2.387 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.725 6.767 -1.994 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.049 6.789 -2.591 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.545 5.370 -2.880 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.124 4.723 -2.008 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.901 7.632 -3.847 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.413 7.662 -4.155 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.672 7.159 -2.927 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.801 7.215 -1.927 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.463 7.201 -4.675 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.288 8.639 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.189 7.036 -5.019 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.095 8.674 -4.404 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.026 6.316 -3.172 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.036 7.936 -2.503 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.299 4.928 -4.104 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.713 3.599 -4.516 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.506 2.659 -4.480 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.341 1.818 -5.363 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.408 3.652 -5.879 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.502 3.497 -7.101 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.722 2.144 -7.779 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.689 4.663 -8.074 1.00 0.00 C ATOM 0 H LEU 2 52 -5.818 5.467 -4.824 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.452 3.199 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.164 2.867 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.934 4.604 -5.960 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.466 3.523 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.065 2.060 -8.645 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.498 1.343 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.760 2.063 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.033 4.528 -8.934 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.726 4.694 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.442 5.599 -7.572 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.693 2.832 -3.447 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.507 2.010 -3.283 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.866 0.527 -3.410 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.999 -0.305 -3.669 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.823 2.295 -1.944 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.367 3.753 -1.862 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.384 4.085 -2.985 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.406 5.156 -3.569 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.523 3.109 -3.256 1.00 0.00 N ATOM 0 H GLN 2 53 -4.833 3.529 -2.716 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.802 2.262 -4.075 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.511 2.079 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.965 1.634 -1.822 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.233 4.412 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.896 3.937 -0.896 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.559 2.236 -2.729 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.173 3.233 -3.991 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.146 0.244 -3.221 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.631 -1.124 -3.312 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.954 -1.851 -4.474 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.847 -3.077 -4.468 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.154 -1.157 -3.456 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.608 -0.333 -4.663 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.607 -1.118 -5.517 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.195 -2.171 -6.049 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.760 -0.646 -5.618 1.00 0.00 O ATOM 0 H GLU 2 54 -5.862 0.937 -3.005 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.375 -1.642 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.490 -2.188 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.617 -0.767 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.066 0.596 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.743 -0.059 -5.267 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.513 -1.065 -5.446 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.849 -1.619 -6.613 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.075 -2.875 -6.207 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.438 -3.984 -6.594 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.946 -0.555 -7.241 1.00 0.00 C ATOM 0 H ALA 2 55 -4.603 -0.049 -5.449 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.580 -1.912 -7.367 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.448 -0.971 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.548 0.303 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.198 -0.238 -6.515 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.022 -2.657 -5.431 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.195 -3.757 -4.968 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.860 -3.582 -3.485 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.031 -4.310 -2.942 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.080 -3.876 -5.806 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.040 -5.007 -6.830 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.357 -4.456 -8.221 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.297 -3.460 -8.601 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -1.245 -5.043 -8.875 1.00 0.00 O ATOM 0 H GLU 2 56 -1.724 -1.735 -5.112 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.758 -4.683 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.271 -2.934 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.933 -4.061 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.891 -5.573 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.823 -5.700 -6.522 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.525 -2.613 -2.872 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.309 -2.333 -1.463 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.214 -3.258 -0.646 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.745 -3.960 0.248 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.553 -0.860 -1.135 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.279 -0.089 -0.070 1.00 0.00 S ATOM 0 H CYS 2 57 -2.213 -2.012 -3.326 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.267 -2.526 -1.207 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.614 -0.300 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.522 -0.767 -0.644 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.495 -3.228 -0.982 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.471 -4.054 -0.291 1.00 0.00 C ATOM 1726 C THR 2 58 -4.312 -5.520 -0.700 1.00 0.00 C ATOM 1727 O THR 2 58 -4.556 -6.420 0.102 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.861 -3.488 -0.583 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.680 -4.030 0.450 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.464 -4.051 -1.871 1.00 0.00 C ATOM 0 H THR 2 58 -3.880 -2.644 -1.724 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.317 -4.031 0.788 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.803 -2.402 -0.655 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.600 -3.713 0.338 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.451 -3.616 -2.031 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.818 -3.804 -2.713 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.554 -5.134 -1.788 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.906 -5.713 -1.946 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.713 -7.054 -2.470 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.484 -7.717 -1.843 1.00 0.00 C ATOM 1741 O PHE 2 59 -1.816 -8.526 -2.485 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.491 -6.917 -3.978 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.734 -7.209 -4.819 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.859 -6.462 -4.653 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.717 -8.215 -5.734 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -7.014 -6.732 -5.434 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.871 -8.485 -6.515 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.995 -7.738 -6.348 1.00 0.00 C ATOM 0 H PHE 2 59 -3.705 -4.963 -2.608 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.581 -7.672 -2.241 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.148 -5.905 -4.194 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.693 -7.595 -4.280 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.874 -5.663 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.825 -8.809 -5.866 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.907 -6.139 -5.302 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.856 -9.284 -7.242 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.873 -7.944 -6.942 1.00 0.00 H new