USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : 1 23 TYR OH : rot 30:sc= -1.31 USER MOD Single : 1 25 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=-0.034) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.225 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.88! K(o=-2.9!,f=-0.5) USER MOD Single : 1 33 ASN : amide:sc= -0.0652 X(o=-0.065,f=-0.054) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.256 USER MOD Single : 1 40 SER OG : rot 117:sc= 0.143 USER MOD Single : 1 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 53 GLN : amide:sc= -13.5! C(o=-13!,f=-20!) USER MOD Single : 1 58 THR OG1 : rot -120:sc= -1.48 USER MOD Single : 2 23 TYR OH : rot 129:sc= -0.025 USER MOD Single : 2 25 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : 2 27 THR OG1 : rot 62:sc= 0.0272 USER MOD Single : 2 29 LYS NZ :NH3+ 159:sc= -0.0244 (180deg=-0.162) USER MOD Single : 2 32 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.15) USER MOD Single : 2 33 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.6) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.17 USER MOD Single : 2 40 SER OG : rot 93:sc= 0.426 USER MOD Single : 2 50 LYS NZ :NH3+ -155:sc= 0.962 (180deg=0.165!) USER MOD Single : 2 53 GLN : amide:sc= -14! C(o=-14!,f=-22!) USER MOD Single : 2 58 THR OG1 : rot 137:sc= -0.189 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.419 -16.157 -2.544 1.00 0.00 N ATOM 229 CA ASP 1 17 1.275 -15.481 -3.131 1.00 0.00 C ATOM 230 C ASP 1 17 1.395 -13.976 -2.883 1.00 0.00 C ATOM 231 O ASP 1 17 0.445 -13.228 -3.111 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.033 -15.962 -2.498 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.305 -15.434 -3.164 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.187 -14.946 -4.309 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.368 -15.529 -2.512 1.00 0.00 O ATOM 0 HA ASP 1 17 1.263 -15.703 -4.198 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.053 -17.052 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.041 -15.668 -1.449 1.00 0.00 H new ATOM 240 N ARG 1 18 2.570 -13.577 -2.420 1.00 0.00 N ATOM 241 CA ARG 1 18 2.826 -12.174 -2.138 1.00 0.00 C ATOM 242 C ARG 1 18 3.435 -11.490 -3.362 1.00 0.00 C ATOM 243 O ARG 1 18 3.615 -12.119 -4.405 1.00 0.00 O ATOM 244 CB ARG 1 18 3.776 -12.016 -0.948 1.00 0.00 C ATOM 245 CG ARG 1 18 3.376 -12.945 0.200 1.00 0.00 C ATOM 246 CD ARG 1 18 4.612 -13.545 0.874 1.00 0.00 C ATOM 247 NE ARG 1 18 4.201 -14.435 1.984 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.911 -14.613 3.106 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.071 -13.964 3.274 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.461 -15.439 4.060 1.00 0.00 N ATOM 0 H ARG 1 18 3.356 -14.200 -2.233 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.873 -11.705 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.796 -12.237 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.765 -10.982 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.790 -12.391 0.933 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.739 -13.745 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.198 -14.105 0.145 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.252 -12.749 1.253 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.322 -14.944 1.888 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.413 -13.335 2.548 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.612 -14.099 4.128 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.578 -15.933 3.932 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 5.002 -15.574 4.914 1.00 0.00 H new ATOM 264 N VAL 1 19 3.737 -10.210 -3.197 1.00 0.00 N ATOM 265 CA VAL 1 19 4.322 -9.433 -4.277 1.00 0.00 C ATOM 266 C VAL 1 19 5.725 -8.980 -3.870 1.00 0.00 C ATOM 267 O VAL 1 19 6.265 -8.033 -4.439 1.00 0.00 O ATOM 268 CB VAL 1 19 3.400 -8.269 -4.643 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.790 -7.665 -5.994 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.935 -8.708 -4.641 1.00 0.00 C ATOM 0 H VAL 1 19 3.587 -9.692 -2.331 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.425 -10.043 -5.175 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.519 -7.496 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.119 -6.839 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.815 -7.297 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.714 -8.428 -6.769 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.301 -7.861 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.794 -9.507 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.665 -9.069 -3.649 1.00 0.00 H new ATOM 280 N ASP 1 20 6.277 -9.679 -2.888 1.00 0.00 N ATOM 281 CA ASP 1 20 7.607 -9.360 -2.400 1.00 0.00 C ATOM 282 C ASP 1 20 7.825 -7.848 -2.474 1.00 0.00 C ATOM 283 O ASP 1 20 8.327 -7.338 -3.475 1.00 0.00 O ATOM 284 CB ASP 1 20 8.684 -10.035 -3.251 1.00 0.00 C ATOM 285 CG ASP 1 20 10.021 -9.295 -3.308 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.649 -9.172 -2.235 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.387 -8.869 -4.425 1.00 0.00 O ATOM 0 H ASP 1 20 5.827 -10.464 -2.418 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.683 -9.718 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.858 -11.038 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.305 -10.148 -4.267 1.00 0.00 H new ATOM 292 N CYS 1 21 7.436 -7.172 -1.403 1.00 0.00 N ATOM 293 CA CYS 1 21 7.582 -5.727 -1.335 1.00 0.00 C ATOM 294 C CYS 1 21 9.023 -5.373 -1.707 1.00 0.00 C ATOM 295 O CYS 1 21 9.273 -4.337 -2.322 1.00 0.00 O ATOM 296 CB CYS 1 21 7.198 -5.184 0.042 1.00 0.00 C ATOM 297 SG CYS 1 21 6.229 -3.632 0.013 1.00 0.00 S ATOM 0 H CYS 1 21 7.020 -7.598 -0.575 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.899 -5.256 -2.041 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.623 -5.945 0.569 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.108 -5.017 0.618 1.00 0.00 H new ATOM 302 N GLY 1 22 9.935 -6.252 -1.317 1.00 0.00 N ATOM 303 CA GLY 1 22 11.344 -6.044 -1.601 1.00 0.00 C ATOM 304 C GLY 1 22 11.833 -4.717 -1.017 1.00 0.00 C ATOM 305 O GLY 1 22 12.358 -3.871 -1.740 1.00 0.00 O ATOM 0 H GLY 1 22 9.725 -7.110 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.927 -6.865 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.506 -6.052 -2.679 1.00 0.00 H new ATOM 309 N TYR 1 23 11.641 -4.576 0.286 1.00 0.00 N ATOM 310 CA TYR 1 23 12.054 -3.365 0.976 1.00 0.00 C ATOM 311 C TYR 1 23 13.476 -3.506 1.525 1.00 0.00 C ATOM 312 O TYR 1 23 13.854 -4.569 2.013 1.00 0.00 O ATOM 313 CB TYR 1 23 11.084 -3.194 2.147 1.00 0.00 C ATOM 314 CG TYR 1 23 10.584 -1.760 2.336 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.350 -0.959 1.237 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.370 -1.267 3.607 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.881 0.390 1.415 1.00 0.00 C ATOM 318 CE2 TYR 1 23 9.900 0.083 3.786 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.679 0.844 2.681 1.00 0.00 C ATOM 320 OH TYR 1 23 9.236 2.119 2.850 1.00 0.00 O ATOM 0 H TYR 1 23 11.205 -5.280 0.882 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.043 -2.513 0.296 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.227 -3.850 1.994 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.576 -3.520 3.063 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.519 -1.345 0.242 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.555 -1.893 4.467 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.694 1.027 0.563 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 9.727 0.481 4.775 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.687 2.379 2.081 1.00 0.00 H new ATOM 330 N PRO 1 24 14.244 -2.388 1.425 1.00 0.00 N ATOM 331 CA PRO 1 24 15.615 -2.376 1.905 1.00 0.00 C ATOM 332 C PRO 1 24 15.660 -2.312 3.433 1.00 0.00 C ATOM 333 O PRO 1 24 16.721 -2.476 4.034 1.00 0.00 O ATOM 334 CB PRO 1 24 16.254 -1.168 1.240 1.00 0.00 C ATOM 335 CG PRO 1 24 15.103 -0.286 0.783 1.00 0.00 C ATOM 336 CD PRO 1 24 13.828 -1.110 0.853 1.00 0.00 C ATOM 0 HA PRO 1 24 16.158 -3.287 1.651 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.901 -0.635 1.937 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.874 -1.469 0.396 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.023 0.596 1.418 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.274 0.068 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.076 -0.624 1.474 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.388 -1.243 -0.135 1.00 0.00 H new ATOM 344 N HIS 1 25 14.495 -2.073 4.018 1.00 0.00 N ATOM 345 CA HIS 1 25 14.388 -1.984 5.464 1.00 0.00 C ATOM 346 C HIS 1 25 13.266 -2.901 5.953 1.00 0.00 C ATOM 347 O HIS 1 25 12.462 -2.509 6.797 1.00 0.00 O ATOM 348 CB HIS 1 25 14.202 -0.531 5.908 1.00 0.00 C ATOM 349 CG HIS 1 25 15.111 0.447 5.204 1.00 0.00 C ATOM 350 ND1 HIS 1 25 14.637 1.441 4.365 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.469 0.576 5.224 1.00 0.00 C ATOM 352 CE1 HIS 1 25 15.673 2.129 3.905 1.00 0.00 C ATOM 353 NE2 HIS 1 25 16.807 1.591 4.439 1.00 0.00 N ATOM 0 H HIS 1 25 13.617 -1.938 3.516 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.316 -2.326 5.922 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.166 -0.238 5.734 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.376 -0.465 6.982 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.154 -0.044 5.784 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 15.627 2.968 3.227 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.758 1.915 4.264 1.00 0.00 H new ATOM 362 N VAL 1 26 13.249 -4.106 5.402 1.00 0.00 N ATOM 363 CA VAL 1 26 12.238 -5.083 5.771 1.00 0.00 C ATOM 364 C VAL 1 26 12.385 -5.426 7.255 1.00 0.00 C ATOM 365 O VAL 1 26 13.444 -5.874 7.691 1.00 0.00 O ATOM 366 CB VAL 1 26 12.338 -6.310 4.861 1.00 0.00 C ATOM 367 CG1 VAL 1 26 13.800 -6.665 4.580 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.590 -7.500 5.462 1.00 0.00 C ATOM 0 H VAL 1 26 13.919 -4.428 4.703 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.239 -4.671 5.629 1.00 0.00 H new ATOM 0 HB VAL 1 26 11.865 -6.063 3.911 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 13.844 -7.540 3.931 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.291 -5.825 4.089 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.308 -6.884 5.519 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.677 -8.358 4.796 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.021 -7.748 6.432 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.538 -7.243 5.587 1.00 0.00 H new ATOM 378 N THR 1 27 11.306 -5.203 7.990 1.00 0.00 N ATOM 379 CA THR 1 27 11.301 -5.483 9.416 1.00 0.00 C ATOM 380 C THR 1 27 9.876 -5.412 9.969 1.00 0.00 C ATOM 381 O THR 1 27 9.024 -4.721 9.411 1.00 0.00 O ATOM 382 CB THR 1 27 12.264 -4.507 10.093 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.113 -5.342 10.875 1.00 0.00 O ATOM 384 CG2 THR 1 27 11.569 -3.615 11.122 1.00 0.00 C ATOM 0 H THR 1 27 10.429 -4.832 7.625 1.00 0.00 H new ATOM 0 HA THR 1 27 11.645 -6.497 9.621 1.00 0.00 H new ATOM 0 HB THR 1 27 12.739 -3.884 9.335 1.00 0.00 H new ATOM 0 HG1 THR 1 27 13.770 -4.789 11.347 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.299 -2.942 11.572 1.00 0.00 H new ATOM 0 HG22 THR 1 27 10.791 -3.031 10.631 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.121 -4.236 11.898 1.00 0.00 H new ATOM 392 N PRO 1 28 9.656 -6.153 11.087 1.00 0.00 N ATOM 393 CA PRO 1 28 8.348 -6.180 11.721 1.00 0.00 C ATOM 394 C PRO 1 28 8.084 -4.882 12.488 1.00 0.00 C ATOM 395 O PRO 1 28 7.787 -4.911 13.681 1.00 0.00 O ATOM 396 CB PRO 1 28 8.373 -7.406 12.620 1.00 0.00 C ATOM 397 CG PRO 1 28 9.840 -7.753 12.812 1.00 0.00 C ATOM 398 CD PRO 1 28 10.641 -6.982 11.776 1.00 0.00 C ATOM 0 HA PRO 1 28 7.532 -6.246 11.001 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 7.892 -7.199 13.576 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 7.832 -8.235 12.164 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.166 -7.491 13.819 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 9.997 -8.825 12.695 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.413 -6.372 12.246 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.145 -7.656 11.083 1.00 0.00 H new ATOM 406 N LYS 1 29 8.201 -3.775 11.771 1.00 0.00 N ATOM 407 CA LYS 1 29 7.979 -2.469 12.368 1.00 0.00 C ATOM 408 C LYS 1 29 8.143 -1.388 11.297 1.00 0.00 C ATOM 409 O LYS 1 29 7.554 -0.313 11.400 1.00 0.00 O ATOM 410 CB LYS 1 29 8.888 -2.274 13.582 1.00 0.00 C ATOM 411 CG LYS 1 29 8.543 -0.980 14.323 1.00 0.00 C ATOM 412 CD LYS 1 29 8.470 -1.215 15.833 1.00 0.00 C ATOM 413 CE LYS 1 29 7.137 -1.857 16.224 1.00 0.00 C ATOM 414 NZ LYS 1 29 6.518 -1.120 17.349 1.00 0.00 N ATOM 0 H LYS 1 29 8.447 -3.755 10.781 1.00 0.00 H new ATOM 0 HA LYS 1 29 6.960 -2.391 12.746 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 8.785 -3.123 14.258 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 9.929 -2.247 13.261 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.294 -0.221 14.106 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.588 -0.595 13.965 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.293 -1.858 16.145 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.589 -0.267 16.358 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 6.462 -1.859 15.368 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.297 -2.897 16.507 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 5.614 -1.568 17.602 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 7.156 -1.140 18.170 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 6.348 -0.134 17.066 1.00 0.00 H new ATOM 428 N GLU 1 30 8.945 -1.711 10.293 1.00 0.00 N ATOM 429 CA GLU 1 30 9.194 -0.781 9.206 1.00 0.00 C ATOM 430 C GLU 1 30 8.252 -1.070 8.035 1.00 0.00 C ATOM 431 O GLU 1 30 7.632 -0.157 7.491 1.00 0.00 O ATOM 432 CB GLU 1 30 10.656 -0.838 8.758 1.00 0.00 C ATOM 433 CG GLU 1 30 11.441 0.359 9.299 1.00 0.00 C ATOM 434 CD GLU 1 30 12.858 -0.052 9.702 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.416 -0.928 9.005 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.353 0.519 10.698 1.00 0.00 O ATOM 0 H GLU 1 30 9.431 -2.604 10.210 1.00 0.00 H new ATOM 0 HA GLU 1 30 8.998 0.229 9.566 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.112 -1.764 9.108 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.707 -0.849 7.669 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.487 1.141 8.541 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 10.922 0.780 10.160 1.00 0.00 H new ATOM 443 N CYS 1 31 8.172 -2.344 7.681 1.00 0.00 N ATOM 444 CA CYS 1 31 7.316 -2.765 6.585 1.00 0.00 C ATOM 445 C CYS 1 31 5.865 -2.464 6.966 1.00 0.00 C ATOM 446 O CYS 1 31 5.161 -1.764 6.241 1.00 0.00 O ATOM 447 CB CYS 1 31 7.521 -4.242 6.241 1.00 0.00 C ATOM 448 SG CYS 1 31 8.854 -4.571 5.031 1.00 0.00 S ATOM 0 H CYS 1 31 8.686 -3.099 8.134 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.577 -2.211 5.683 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.740 -4.787 7.159 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.586 -4.642 5.848 1.00 0.00 H new ATOM 453 N ASN 1 32 5.461 -3.008 8.105 1.00 0.00 N ATOM 454 CA ASN 1 32 4.107 -2.807 8.591 1.00 0.00 C ATOM 455 C ASN 1 32 3.879 -1.316 8.848 1.00 0.00 C ATOM 456 O ASN 1 32 2.761 -0.898 9.147 1.00 0.00 O ATOM 457 CB ASN 1 32 3.877 -3.555 9.906 1.00 0.00 C ATOM 458 CG ASN 1 32 3.215 -4.911 9.657 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.132 -5.200 10.139 1.00 0.00 O ATOM 460 ND2 ASN 1 32 3.923 -5.724 8.878 1.00 0.00 N ATOM 0 H ASN 1 32 6.048 -3.588 8.705 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.418 -3.185 7.836 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 4.829 -3.699 10.418 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.249 -2.955 10.565 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.566 -6.652 8.651 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 4.823 -5.419 8.507 1.00 0.00 H new ATOM 467 N ASN 1 33 4.956 -0.555 8.723 1.00 0.00 N ATOM 468 CA ASN 1 33 4.888 0.881 8.939 1.00 0.00 C ATOM 469 C ASN 1 33 4.964 1.599 7.590 1.00 0.00 C ATOM 470 O ASN 1 33 4.453 2.708 7.443 1.00 0.00 O ATOM 471 CB ASN 1 33 6.056 1.365 9.799 1.00 0.00 C ATOM 472 CG ASN 1 33 6.115 2.893 9.834 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.165 3.569 10.196 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.279 3.399 9.438 1.00 0.00 N ATOM 0 H ASN 1 33 5.881 -0.905 8.475 1.00 0.00 H new ATOM 0 HA ASN 1 33 3.950 1.101 9.449 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 5.951 0.978 10.813 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 6.992 0.970 9.403 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.418 4.409 9.425 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.033 2.777 9.148 1.00 0.00 H new ATOM 481 N ARG 1 34 5.606 0.936 6.638 1.00 0.00 N ATOM 482 CA ARG 1 34 5.756 1.498 5.307 1.00 0.00 C ATOM 483 C ARG 1 34 4.529 1.171 4.452 1.00 0.00 C ATOM 484 O ARG 1 34 4.164 1.941 3.565 1.00 0.00 O ATOM 485 CB ARG 1 34 7.009 0.952 4.617 1.00 0.00 C ATOM 486 CG ARG 1 34 6.708 -0.361 3.894 1.00 0.00 C ATOM 487 CD ARG 1 34 6.171 -0.102 2.485 1.00 0.00 C ATOM 488 NE ARG 1 34 7.128 -0.609 1.477 1.00 0.00 N ATOM 489 CZ ARG 1 34 6.859 -0.706 0.167 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.660 -0.332 -0.299 1.00 0.00 N ATOM 491 NH2 ARG 1 34 7.788 -1.180 -0.674 1.00 0.00 N ATOM 0 H ARG 1 34 6.028 0.016 6.763 1.00 0.00 H new ATOM 0 HA ARG 1 34 5.854 2.579 5.412 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.385 1.686 3.904 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.795 0.793 5.355 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.614 -0.964 3.836 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 5.978 -0.935 4.465 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.205 -0.591 2.360 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 6.009 0.966 2.339 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.050 -0.903 1.799 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 4.953 0.026 0.343 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.455 -0.405 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.700 -1.467 -0.318 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.584 -1.254 -1.671 1.00 0.00 H new ATOM 505 N GLY 1 35 3.927 0.029 4.749 1.00 0.00 N ATOM 506 CA GLY 1 35 2.750 -0.409 4.019 1.00 0.00 C ATOM 507 C GLY 1 35 2.920 -1.843 3.513 1.00 0.00 C ATOM 508 O GLY 1 35 2.262 -2.249 2.556 1.00 0.00 O ATOM 0 H GLY 1 35 4.233 -0.607 5.486 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 1.874 -0.349 4.665 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.571 0.259 3.176 1.00 0.00 H new ATOM 512 N CYS 1 36 3.806 -2.570 4.177 1.00 0.00 N ATOM 513 CA CYS 1 36 4.071 -3.950 3.806 1.00 0.00 C ATOM 514 C CYS 1 36 3.782 -4.836 5.019 1.00 0.00 C ATOM 515 O CYS 1 36 3.471 -4.335 6.099 1.00 0.00 O ATOM 516 CB CYS 1 36 5.500 -4.133 3.293 1.00 0.00 C ATOM 517 SG CYS 1 36 5.906 -3.169 1.791 1.00 0.00 S ATOM 0 H CYS 1 36 4.350 -2.230 4.970 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.420 -4.240 2.982 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.194 -3.854 4.086 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.663 -5.190 3.084 1.00 0.00 H new ATOM 522 N CYS 1 37 3.894 -6.139 4.800 1.00 0.00 N ATOM 523 CA CYS 1 37 3.649 -7.099 5.862 1.00 0.00 C ATOM 524 C CYS 1 37 4.908 -7.950 6.041 1.00 0.00 C ATOM 525 O CYS 1 37 5.409 -8.532 5.080 1.00 0.00 O ATOM 526 CB CYS 1 37 2.416 -7.959 5.573 1.00 0.00 C ATOM 527 SG CYS 1 37 1.632 -8.697 7.053 1.00 0.00 S ATOM 0 H CYS 1 37 4.151 -6.551 3.903 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.434 -6.570 6.791 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.677 -7.348 5.054 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.701 -8.761 4.892 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.600 -9.400 6.692 1.00 0.00 H new ATOM 532 N PHE 1 38 5.382 -7.994 7.276 1.00 0.00 N ATOM 533 CA PHE 1 38 6.574 -8.764 7.593 1.00 0.00 C ATOM 534 C PHE 1 38 6.211 -10.193 8.001 1.00 0.00 C ATOM 535 O PHE 1 38 5.445 -10.399 8.941 1.00 0.00 O ATOM 536 CB PHE 1 38 7.256 -8.067 8.773 1.00 0.00 C ATOM 537 CG PHE 1 38 8.615 -8.664 9.146 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.717 -8.358 8.410 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.720 -9.499 10.214 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.978 -8.911 8.757 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.982 -10.053 10.560 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.083 -9.747 9.824 1.00 0.00 C ATOM 0 H PHE 1 38 4.963 -7.509 8.070 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.225 -8.818 6.720 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.388 -7.012 8.532 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.598 -8.116 9.641 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.633 -7.695 7.562 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.845 -9.741 10.799 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.854 -8.668 8.173 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.066 -10.717 11.408 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.042 -10.168 10.087 1.00 0.00 H new ATOM 552 N ASP 1 39 6.778 -11.144 7.273 1.00 0.00 N ATOM 553 CA ASP 1 39 6.524 -12.548 7.548 1.00 0.00 C ATOM 554 C ASP 1 39 7.574 -13.070 8.529 1.00 0.00 C ATOM 555 O ASP 1 39 7.333 -13.122 9.734 1.00 0.00 O ATOM 556 CB ASP 1 39 6.614 -13.385 6.270 1.00 0.00 C ATOM 557 CG ASP 1 39 6.536 -14.898 6.480 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.434 -15.364 6.842 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.579 -15.555 6.274 1.00 0.00 O ATOM 0 H ASP 1 39 7.412 -10.970 6.493 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.521 -12.633 7.965 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.809 -13.085 5.600 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.552 -13.151 5.766 1.00 0.00 H new ATOM 564 N SER 1 40 8.720 -13.444 7.978 1.00 0.00 N ATOM 565 CA SER 1 40 9.808 -13.960 8.790 1.00 0.00 C ATOM 566 C SER 1 40 9.676 -15.477 8.940 1.00 0.00 C ATOM 567 O SER 1 40 10.632 -16.153 9.319 1.00 0.00 O ATOM 568 CB SER 1 40 9.833 -13.292 10.167 1.00 0.00 C ATOM 569 OG SER 1 40 11.160 -13.157 10.670 1.00 0.00 O ATOM 0 H SER 1 40 8.918 -13.400 6.978 1.00 0.00 H new ATOM 0 HA SER 1 40 10.747 -13.731 8.287 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.368 -12.308 10.101 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.238 -13.880 10.866 1.00 0.00 H new ATOM 0 HG SER 1 40 11.374 -12.207 10.777 1.00 0.00 H new ATOM 575 N ARG 1 41 8.485 -15.968 8.634 1.00 0.00 N ATOM 576 CA ARG 1 41 8.216 -17.393 8.729 1.00 0.00 C ATOM 577 C ARG 1 41 9.237 -18.182 7.908 1.00 0.00 C ATOM 578 O ARG 1 41 9.942 -19.037 8.444 1.00 0.00 O ATOM 579 CB ARG 1 41 6.807 -17.722 8.230 1.00 0.00 C ATOM 580 CG ARG 1 41 5.747 -17.229 9.217 1.00 0.00 C ATOM 581 CD ARG 1 41 4.745 -18.337 9.544 1.00 0.00 C ATOM 582 NE ARG 1 41 5.315 -19.253 10.557 1.00 0.00 N ATOM 583 CZ ARG 1 41 5.501 -18.928 11.843 1.00 0.00 C ATOM 584 NH1 ARG 1 41 5.163 -17.708 12.282 1.00 0.00 N ATOM 585 NH2 ARG 1 41 6.026 -19.823 12.692 1.00 0.00 N ATOM 0 H ARG 1 41 7.695 -15.405 8.320 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.293 -17.675 9.779 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.645 -17.260 7.256 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.708 -18.799 8.092 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.229 -16.888 10.133 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.222 -16.372 8.795 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.818 -17.902 9.916 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.496 -18.892 8.639 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.583 -20.190 10.257 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.764 -17.026 11.637 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 5.305 -17.461 13.261 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 6.284 -20.752 12.359 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 6.167 -19.575 13.671 1.00 0.00 H new ATOM 599 N ILE 1 42 9.285 -17.867 6.622 1.00 0.00 N ATOM 600 CA ILE 1 42 10.209 -18.537 5.723 1.00 0.00 C ATOM 601 C ILE 1 42 11.235 -17.526 5.207 1.00 0.00 C ATOM 602 O ILE 1 42 10.869 -16.452 4.732 1.00 0.00 O ATOM 603 CB ILE 1 42 9.446 -19.259 4.611 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.971 -19.430 4.979 1.00 0.00 C ATOM 605 CG2 ILE 1 42 10.110 -20.595 4.269 1.00 0.00 C ATOM 606 CD1 ILE 1 42 7.253 -20.326 3.969 1.00 0.00 C ATOM 0 H ILE 1 42 8.700 -17.157 6.182 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.762 -19.312 6.254 1.00 0.00 H new ATOM 0 HB ILE 1 42 9.484 -18.641 3.714 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.889 -19.862 5.976 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.486 -18.454 5.014 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.548 -21.088 3.476 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 11.132 -20.418 3.934 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.124 -21.232 5.154 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 6.206 -20.430 4.255 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.315 -19.879 2.977 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.725 -21.308 3.954 1.00 0.00 H new ATOM 618 N PRO 1 43 12.534 -17.915 5.321 1.00 0.00 N ATOM 619 CA PRO 1 43 13.615 -17.054 4.872 1.00 0.00 C ATOM 620 C PRO 1 43 13.715 -17.050 3.346 1.00 0.00 C ATOM 621 O PRO 1 43 14.374 -16.189 2.765 1.00 0.00 O ATOM 622 CB PRO 1 43 14.861 -17.603 5.548 1.00 0.00 C ATOM 623 CG PRO 1 43 14.513 -19.020 5.975 1.00 0.00 C ATOM 624 CD PRO 1 43 13.005 -19.178 5.879 1.00 0.00 C ATOM 0 HA PRO 1 43 13.460 -16.009 5.140 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.710 -17.598 4.865 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 15.140 -16.993 6.407 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 15.014 -19.746 5.335 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.852 -19.206 6.994 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.735 -20.018 5.240 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.564 -19.367 6.858 1.00 0.00 H new ATOM 632 N GLY 1 44 13.049 -18.022 2.738 1.00 0.00 N ATOM 633 CA GLY 1 44 13.054 -18.140 1.290 1.00 0.00 C ATOM 634 C GLY 1 44 11.900 -17.350 0.671 1.00 0.00 C ATOM 635 O GLY 1 44 11.825 -17.208 -0.548 1.00 0.00 O ATOM 0 H GLY 1 44 12.503 -18.734 3.222 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 14.002 -17.775 0.895 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.974 -19.190 1.007 1.00 0.00 H new ATOM 639 N VAL 1 45 11.029 -16.858 1.539 1.00 0.00 N ATOM 640 CA VAL 1 45 9.882 -16.087 1.092 1.00 0.00 C ATOM 641 C VAL 1 45 10.109 -14.609 1.418 1.00 0.00 C ATOM 642 O VAL 1 45 11.039 -14.266 2.147 1.00 0.00 O ATOM 643 CB VAL 1 45 8.600 -16.646 1.714 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.043 -15.692 2.773 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.553 -16.943 0.639 1.00 0.00 C ATOM 0 H VAL 1 45 11.095 -16.978 2.550 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.765 -16.168 0.011 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.849 -17.585 2.207 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.132 -16.113 3.199 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.782 -15.553 3.562 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.817 -14.730 2.313 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.652 -17.339 1.108 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 7.310 -16.025 0.104 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.950 -17.677 -0.062 1.00 0.00 H new ATOM 655 N PRO 1 46 9.220 -13.752 0.848 1.00 0.00 N ATOM 656 CA PRO 1 46 9.314 -12.318 1.071 1.00 0.00 C ATOM 657 C PRO 1 46 8.825 -11.948 2.472 1.00 0.00 C ATOM 658 O PRO 1 46 7.645 -12.100 2.782 1.00 0.00 O ATOM 659 CB PRO 1 46 8.480 -11.693 -0.034 1.00 0.00 C ATOM 660 CG PRO 1 46 7.575 -12.800 -0.552 1.00 0.00 C ATOM 661 CD PRO 1 46 8.106 -14.121 -0.020 1.00 0.00 C ATOM 0 HA PRO 1 46 10.340 -11.952 1.032 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.894 -10.855 0.345 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.115 -11.304 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.549 -12.640 -0.222 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.562 -12.804 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.338 -14.663 0.531 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.435 -14.771 -0.831 1.00 0.00 H new ATOM 669 N TRP 1 47 9.758 -11.469 3.282 1.00 0.00 N ATOM 670 CA TRP 1 47 9.437 -11.076 4.644 1.00 0.00 C ATOM 671 C TRP 1 47 8.955 -9.624 4.615 1.00 0.00 C ATOM 672 O TRP 1 47 9.115 -8.894 5.592 1.00 0.00 O ATOM 673 CB TRP 1 47 10.633 -11.290 5.574 1.00 0.00 C ATOM 674 CG TRP 1 47 11.778 -12.083 4.941 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.826 -13.396 4.675 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.048 -11.556 4.502 1.00 0.00 C ATOM 677 NE1 TRP 1 47 13.028 -13.752 4.100 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.795 -12.598 3.991 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.549 -10.243 4.535 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.087 -12.435 3.475 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.841 -10.096 4.016 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.606 -11.134 3.498 1.00 0.00 C ATOM 0 H TRP 1 47 10.736 -11.344 3.021 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.640 -11.700 5.048 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.010 -10.319 5.894 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.295 -11.811 6.470 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.024 -14.088 4.885 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.303 -14.690 3.808 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.982 -9.413 4.930 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.652 -13.267 3.081 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.273 -9.106 4.018 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.597 -10.939 3.115 1.00 0.00 H new ATOM 693 N CYS 1 48 8.373 -9.249 3.485 1.00 0.00 N ATOM 694 CA CYS 1 48 7.868 -7.898 3.316 1.00 0.00 C ATOM 695 C CYS 1 48 7.060 -7.845 2.018 1.00 0.00 C ATOM 696 O CYS 1 48 7.630 -7.817 0.928 1.00 0.00 O ATOM 697 CB CYS 1 48 8.997 -6.865 3.327 1.00 0.00 C ATOM 698 SG CYS 1 48 8.442 -5.121 3.347 1.00 0.00 S ATOM 0 H CYS 1 48 8.240 -9.858 2.678 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.222 -7.642 4.156 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.624 -7.042 4.201 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.623 -7.022 2.449 1.00 0.00 H new ATOM 703 N PHE 1 49 5.745 -7.835 2.177 1.00 0.00 N ATOM 704 CA PHE 1 49 4.852 -7.787 1.031 1.00 0.00 C ATOM 705 C PHE 1 49 3.661 -6.866 1.303 1.00 0.00 C ATOM 706 O PHE 1 49 3.643 -6.145 2.299 1.00 0.00 O ATOM 707 CB PHE 1 49 4.339 -9.210 0.803 1.00 0.00 C ATOM 708 CG PHE 1 49 4.271 -10.058 2.076 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.413 -10.383 2.739 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.068 -10.486 2.543 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.349 -11.170 3.919 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.003 -11.272 3.724 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.146 -11.597 4.387 1.00 0.00 C ATOM 0 H PHE 1 49 5.276 -7.859 3.082 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.384 -7.402 0.161 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.345 -9.160 0.358 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.987 -9.708 0.081 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.368 -10.043 2.368 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.161 -10.228 2.016 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.256 -11.429 4.445 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.047 -11.611 4.096 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.098 -12.194 5.285 1.00 0.00 H new ATOM 723 N LYS 1 50 2.694 -6.920 0.398 1.00 0.00 N ATOM 724 CA LYS 1 50 1.502 -6.099 0.526 1.00 0.00 C ATOM 725 C LYS 1 50 0.268 -7.002 0.555 1.00 0.00 C ATOM 726 O LYS 1 50 -0.527 -7.005 -0.385 1.00 0.00 O ATOM 727 CB LYS 1 50 1.460 -5.037 -0.574 1.00 0.00 C ATOM 728 CG LYS 1 50 1.679 -5.666 -1.951 1.00 0.00 C ATOM 729 CD LYS 1 50 3.001 -5.198 -2.564 1.00 0.00 C ATOM 730 CE LYS 1 50 3.116 -3.673 -2.521 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.386 -3.135 -3.872 1.00 0.00 N ATOM 0 H LYS 1 50 2.712 -7.520 -0.427 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.519 -5.549 1.467 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.498 -4.524 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.226 -4.285 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.680 -6.752 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.854 -5.400 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.835 -5.645 -2.023 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 3.070 -5.542 -3.596 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.193 -3.244 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 3.916 -3.382 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.461 -2.099 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.278 -3.531 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.609 -3.397 -4.512 1.00 0.00 H new ATOM 745 N PRO 1 51 0.140 -7.767 1.673 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.984 -8.672 1.836 1.00 0.00 C ATOM 747 C PRO 1 51 -2.263 -7.904 2.175 1.00 0.00 C ATOM 748 O PRO 1 51 -2.933 -7.383 1.284 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.560 -9.633 2.936 1.00 0.00 C ATOM 750 CG PRO 1 51 0.586 -8.951 3.665 1.00 0.00 C ATOM 751 CD PRO 1 51 1.060 -7.790 2.806 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.222 -9.214 0.921 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.387 -9.839 3.615 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.244 -10.589 2.519 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.259 -8.594 4.642 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.400 -9.654 3.839 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.031 -6.851 3.359 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.089 -7.935 2.477 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.563 -7.857 3.465 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.749 -7.161 3.933 1.00 0.00 C ATOM 761 C LEU 1 52 -3.382 -5.718 4.286 1.00 0.00 C ATOM 762 O LEU 1 52 -3.975 -5.126 5.186 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.404 -7.929 5.082 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.081 -7.429 6.492 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.393 -8.500 7.539 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.634 -6.943 6.584 1.00 0.00 C ATOM 0 H LEU 1 52 -2.005 -8.290 4.201 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.500 -7.115 3.144 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.485 -7.897 4.945 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.105 -8.975 5.011 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.722 -6.574 6.705 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.154 -8.119 8.532 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.452 -8.756 7.493 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.796 -9.390 7.339 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.431 -6.593 7.596 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -1.959 -7.763 6.341 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.479 -6.125 5.880 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.406 -5.195 3.560 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.952 -3.833 3.786 1.00 0.00 C ATOM 780 C GLN 1 53 -3.132 -2.862 3.717 1.00 0.00 C ATOM 781 O GLN 1 53 -3.081 -1.773 4.287 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.862 -3.444 2.785 1.00 0.00 C ATOM 783 CG GLN 1 53 0.357 -4.359 2.920 1.00 0.00 C ATOM 784 CD GLN 1 53 0.842 -4.416 4.369 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.583 -3.566 4.838 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.385 -5.462 5.052 1.00 0.00 N ATOM 0 H GLN 1 53 -1.916 -5.690 2.814 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.518 -3.777 4.784 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.256 -3.505 1.771 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.564 -2.409 2.950 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.103 -5.362 2.578 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.160 -3.998 2.278 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.232 -6.136 4.599 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.652 -5.590 6.028 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.169 -3.290 3.012 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.360 -2.473 2.859 1.00 0.00 C ATOM 797 C GLU 1 54 -5.681 -1.753 4.171 1.00 0.00 C ATOM 798 O GLU 1 54 -6.276 -0.676 4.162 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.549 -3.317 2.393 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.872 -2.713 2.872 1.00 0.00 C ATOM 801 CD GLU 1 54 -9.058 -3.340 2.135 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.023 -3.322 0.886 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.972 -3.820 2.838 1.00 0.00 O ATOM 0 H GLU 1 54 -4.209 -4.193 2.540 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.166 -1.723 2.092 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.548 -3.383 1.305 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.450 -4.333 2.774 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.981 -2.871 3.945 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -7.865 -1.636 2.707 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.273 -2.377 5.267 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.508 -1.808 6.583 1.00 0.00 C ATOM 812 C ALA 1 55 -5.250 -0.301 6.537 1.00 0.00 C ATOM 813 O ALA 1 55 -6.188 0.495 6.560 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.628 -2.520 7.612 1.00 0.00 C ATOM 0 H ALA 1 55 -4.781 -3.271 5.270 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.545 -1.955 6.884 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.804 -2.093 8.599 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.872 -3.582 7.627 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.579 -2.393 7.344 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.973 0.046 6.472 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.579 1.444 6.424 1.00 0.00 C ATOM 822 C GLU 1 56 -2.839 1.741 5.118 1.00 0.00 C ATOM 823 O GLU 1 56 -2.036 2.671 5.053 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.723 1.816 7.636 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.556 1.800 8.920 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.887 0.942 9.996 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.753 1.298 10.381 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.526 -0.050 10.410 1.00 0.00 O ATOM 0 H GLU 1 56 -3.198 -0.617 6.451 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.480 2.056 6.457 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.893 1.116 7.728 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.291 2.806 7.491 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.683 2.818 9.288 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.552 1.412 8.707 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.134 0.933 4.110 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.506 1.099 2.810 1.00 0.00 C ATOM 837 C CYS 1 57 -3.528 1.725 1.859 1.00 0.00 C ATOM 838 O CYS 1 57 -3.334 2.843 1.383 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.964 -0.227 2.272 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.620 -0.063 1.042 1.00 0.00 S ATOM 0 H CYS 1 57 -3.799 0.162 4.167 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.644 1.760 2.901 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.600 -0.822 3.110 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.786 -0.783 1.820 1.00 0.00 H new ATOM 845 N THR 1 58 -4.594 0.977 1.610 1.00 0.00 N ATOM 846 CA THR 1 58 -5.646 1.446 0.724 1.00 0.00 C ATOM 847 C THR 1 58 -6.188 2.793 1.206 1.00 0.00 C ATOM 848 O THR 1 58 -6.353 3.719 0.414 1.00 0.00 O ATOM 849 CB THR 1 58 -6.715 0.355 0.642 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.368 0.601 -0.600 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.819 0.536 1.686 1.00 0.00 C ATOM 0 H THR 1 58 -4.751 0.050 2.006 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.266 1.626 -0.282 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.248 -0.621 0.774 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.318 0.779 -0.440 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.551 -0.265 1.584 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.384 0.504 2.685 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.309 1.498 1.534 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.451 2.859 2.503 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.971 4.078 3.100 1.00 0.00 C ATOM 861 C PHE 1 59 -6.425 5.315 2.385 1.00 0.00 C ATOM 862 O PHE 1 59 -7.190 6.157 1.920 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.506 4.097 4.557 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.591 4.513 5.551 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.826 3.948 5.485 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.320 5.447 6.501 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.834 4.334 6.409 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.328 5.833 7.425 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.563 5.268 7.359 1.00 0.00 C ATOM 0 H PHE 1 59 -6.314 2.088 3.157 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.058 4.097 3.021 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.144 3.105 4.825 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.662 4.780 4.649 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.041 3.206 4.730 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.339 5.895 6.553 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.815 3.886 6.357 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.113 6.575 8.180 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.329 5.561 8.062 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.314 15.444 0.189 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.006 14.410 0.939 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.076 13.210 1.123 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.518 12.130 1.512 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.254 13.930 0.194 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.292 13.219 1.064 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.126 13.266 2.301 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.231 12.645 0.470 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.299 14.831 1.901 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.728 14.789 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.945 13.254 -0.603 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.803 13.440 0.834 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.805 12.391 0.963 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.187 12.414 2.363 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.507 13.284 3.171 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.696 12.554 -0.079 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.283 12.762 -1.477 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.483 13.807 -2.257 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.844 13.752 -3.692 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.079 14.241 -4.678 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.907 14.823 -4.391 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.487 14.146 -5.951 1.00 0.00 N ATOM 0 H ARG 2 18 -6.440 14.337 0.511 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.305 11.437 0.799 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.066 13.404 0.185 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.057 11.671 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.281 11.817 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.322 13.081 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.685 14.802 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.415 13.626 -2.135 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.730 13.315 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.597 14.894 -3.422 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.325 15.195 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.379 13.702 -6.169 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.906 14.518 -6.702 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.316 11.447 2.605 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.650 11.345 3.894 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.198 11.802 3.750 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.360 11.494 4.596 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.779 9.920 4.437 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.468 9.876 5.935 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.165 9.345 4.147 1.00 0.00 C ATOM 0 H VAL 2 19 -4.055 10.727 1.932 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.125 12.001 4.624 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.046 9.298 3.923 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.567 8.853 6.297 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.449 10.225 6.106 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.166 10.519 6.471 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.229 8.332 4.544 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.924 9.968 4.620 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.332 9.324 3.070 1.00 0.00 H new ATOM 1159 N ASP 2 20 -1.943 12.531 2.674 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.606 13.034 2.408 1.00 0.00 C ATOM 1161 C ASP 2 20 0.424 12.022 2.914 1.00 0.00 C ATOM 1162 O ASP 2 20 0.897 12.124 4.044 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.363 14.359 3.133 1.00 0.00 C ATOM 1164 CG ASP 2 20 1.100 14.647 3.479 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.846 15.003 2.542 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.438 14.505 4.675 1.00 0.00 O ATOM 0 H ASP 2 20 -2.641 12.786 1.975 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.510 13.188 1.333 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.740 15.171 2.511 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -0.947 14.365 4.054 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.740 11.067 2.051 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.706 10.038 2.396 1.00 0.00 C ATOM 1173 C CYS 2 21 2.877 10.701 3.123 1.00 0.00 C ATOM 1174 O CYS 2 21 3.402 10.154 4.092 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.168 9.259 1.163 1.00 0.00 C ATOM 1176 SG CYS 2 21 3.079 7.714 1.527 1.00 0.00 S ATOM 0 H CYS 2 21 0.344 10.984 1.114 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.239 9.305 3.054 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.296 9.015 0.557 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.805 9.906 0.560 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.254 11.871 2.627 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.353 12.615 3.219 1.00 0.00 C ATOM 1183 C GLY 2 22 5.641 11.791 3.207 1.00 0.00 C ATOM 1184 O GLY 2 22 6.307 11.657 4.233 1.00 0.00 O ATOM 0 H GLY 2 22 2.818 12.322 1.822 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.506 13.544 2.669 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.102 12.889 4.244 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.956 11.259 2.034 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.153 10.451 1.876 1.00 0.00 C ATOM 1190 C TYR 2 23 8.336 11.307 1.418 1.00 0.00 C ATOM 1191 O TYR 2 23 8.196 12.137 0.520 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.830 9.427 0.787 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.611 8.007 1.312 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.276 7.581 2.445 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.751 7.152 0.655 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.070 6.244 2.941 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.546 5.815 1.151 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.216 5.427 2.269 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.022 4.166 2.737 1.00 0.00 O ATOM 0 H TYR 2 23 5.403 11.372 1.185 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.428 9.984 2.822 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.935 9.748 0.255 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.644 9.414 0.062 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 7.950 8.250 2.959 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 5.231 7.485 -0.231 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.582 5.899 3.827 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.875 5.136 0.646 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.061 3.992 2.821 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.504 11.071 2.074 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.710 11.811 1.744 1.00 0.00 C ATOM 1211 C PRO 2 24 11.311 11.320 0.425 1.00 0.00 C ATOM 1212 O PRO 2 24 12.294 11.879 -0.059 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.636 11.604 2.932 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.104 10.385 3.667 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.706 10.097 3.142 1.00 0.00 C ATOM 0 HA PRO 2 24 10.521 12.872 1.583 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.663 11.445 2.604 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.641 12.480 3.581 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.757 9.527 3.506 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.078 10.568 4.741 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.626 9.076 2.768 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.958 10.208 3.927 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.694 10.282 -0.120 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.155 9.710 -1.373 1.00 0.00 C ATOM 1225 C HIS 2 25 10.008 9.698 -2.385 1.00 0.00 C ATOM 1226 O HIS 2 25 9.997 8.884 -3.307 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.761 8.324 -1.147 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.089 8.114 -1.835 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.284 8.016 -1.144 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.397 7.985 -3.157 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.260 7.836 -2.022 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.709 7.818 -3.269 1.00 0.00 N ATOM 0 H HIS 2 25 9.878 9.822 0.284 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.952 10.328 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.889 8.165 -0.076 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.058 7.569 -1.499 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.692 8.014 -3.975 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 16.309 7.723 -1.790 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.220 7.696 -4.143 1.00 0.00 H new ATOM 1241 N VAL 2 26 9.069 10.610 -2.178 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.919 10.714 -3.060 1.00 0.00 C ATOM 1243 C VAL 2 26 8.401 10.822 -4.509 1.00 0.00 C ATOM 1244 O VAL 2 26 9.264 11.641 -4.820 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.038 11.890 -2.634 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.888 13.109 -2.271 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.022 12.236 -3.724 1.00 0.00 C ATOM 0 H VAL 2 26 9.081 11.284 -1.412 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.301 9.819 -2.989 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.486 11.589 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.237 13.930 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.554 12.855 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.479 13.411 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.408 13.075 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.548 12.507 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.384 11.373 -3.914 1.00 0.00 H new ATOM 1257 N THR 2 27 7.823 9.982 -5.354 1.00 0.00 N ATOM 1258 CA THR 2 27 8.183 9.973 -6.762 1.00 0.00 C ATOM 1259 C THR 2 27 7.198 9.116 -7.559 1.00 0.00 C ATOM 1260 O THR 2 27 6.564 8.218 -7.007 1.00 0.00 O ATOM 1261 CB THR 2 27 9.633 9.497 -6.877 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.313 10.598 -7.475 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.799 8.361 -7.888 1.00 0.00 C ATOM 0 H THR 2 27 7.108 9.303 -5.092 1.00 0.00 H new ATOM 0 HA THR 2 27 8.119 10.972 -7.192 1.00 0.00 H new ATOM 0 HB THR 2 27 9.985 9.166 -5.900 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.258 11.377 -6.883 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.846 8.062 -7.930 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.190 7.510 -7.582 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.479 8.701 -8.873 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.098 9.431 -8.878 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.201 8.700 -9.757 1.00 0.00 C ATOM 1273 C PRO 2 28 6.767 7.320 -10.094 1.00 0.00 C ATOM 1274 O PRO 2 28 6.795 6.924 -11.258 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.035 9.589 -10.978 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.202 10.562 -10.946 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.834 10.488 -9.566 1.00 0.00 C ATOM 0 HA PRO 2 28 5.235 8.496 -9.296 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.043 8.999 -11.895 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.083 10.119 -10.949 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.932 10.307 -11.714 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.860 11.575 -11.155 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.897 10.254 -9.629 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.747 11.438 -9.039 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.206 6.625 -9.054 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.770 5.297 -9.225 1.00 0.00 C ATOM 1287 C LYS 2 29 8.140 4.725 -7.855 1.00 0.00 C ATOM 1288 O LYS 2 29 8.327 3.517 -7.714 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.938 5.335 -10.213 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.150 3.968 -10.865 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.203 4.089 -12.389 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.400 2.970 -13.057 1.00 0.00 C ATOM 1293 NZ LYS 2 29 6.950 3.173 -12.841 1.00 0.00 N ATOM 0 H LYS 2 29 7.182 6.957 -8.090 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.034 4.623 -9.663 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.744 6.082 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.847 5.640 -9.695 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.077 3.527 -10.499 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.342 3.295 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.807 5.058 -12.694 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.239 4.048 -12.725 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 8.615 2.948 -14.125 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.703 2.005 -12.651 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 6.415 2.649 -13.562 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 6.688 2.827 -11.896 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 6.727 4.186 -12.913 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.236 5.618 -6.883 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.582 5.217 -5.529 1.00 0.00 C ATOM 1309 C GLU 2 30 7.323 5.138 -4.662 1.00 0.00 C ATOM 1310 O GLU 2 30 7.125 4.165 -3.937 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.609 6.173 -4.919 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.023 5.598 -5.026 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.503 5.589 -6.480 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 10.857 4.886 -7.285 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.505 6.286 -6.750 1.00 0.00 O ATOM 0 H GLU 2 30 8.080 6.619 -7.005 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.036 4.227 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.564 7.135 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.365 6.356 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.707 6.189 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.038 4.583 -4.628 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.507 6.176 -4.765 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.274 6.237 -3.999 1.00 0.00 C ATOM 1324 C CYS 2 31 4.430 5.009 -4.348 1.00 0.00 C ATOM 1325 O CYS 2 31 4.051 4.241 -3.466 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.513 7.541 -4.252 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.071 8.961 -3.241 1.00 0.00 S ATOM 0 H CYS 2 31 6.675 6.982 -5.367 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.505 6.228 -2.934 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.609 7.803 -5.306 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.454 7.370 -4.061 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.161 4.862 -5.637 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.370 3.741 -6.114 1.00 0.00 C ATOM 1334 C ASN 2 32 4.067 2.433 -5.736 1.00 0.00 C ATOM 1335 O ASN 2 32 3.466 1.362 -5.808 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.225 3.777 -7.637 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.960 4.531 -8.051 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.171 4.074 -8.861 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.811 5.707 -7.449 1.00 0.00 N ATOM 0 H ASN 2 32 4.477 5.501 -6.366 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.383 3.806 -5.656 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.099 4.257 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.190 2.760 -8.026 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.997 6.286 -7.656 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.510 6.030 -6.780 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.325 2.563 -5.340 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.110 1.404 -4.951 1.00 0.00 C ATOM 1348 C ASN 2 33 6.095 1.273 -3.427 1.00 0.00 C ATOM 1349 O ASN 2 33 6.272 0.179 -2.892 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.566 1.549 -5.398 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.331 0.239 -5.211 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.761 -0.817 -4.988 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.651 0.363 -5.313 1.00 0.00 N ATOM 0 H ASN 2 33 5.820 3.453 -5.280 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.673 0.526 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.600 1.848 -6.446 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.049 2.341 -4.825 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.250 -0.455 -5.203 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.064 1.276 -5.501 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.882 2.403 -2.769 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.842 2.428 -1.316 1.00 0.00 C ATOM 1362 C ARG 2 34 4.430 2.108 -0.819 1.00 0.00 C ATOM 1363 O ARG 2 34 4.255 1.642 0.305 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.267 3.795 -0.777 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.630 4.206 -1.338 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.600 4.566 -0.211 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.895 3.880 -0.420 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.925 3.946 0.434 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.820 4.667 1.559 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.063 3.290 0.164 1.00 0.00 N ATOM 0 H ARG 2 34 5.735 3.308 -3.215 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.539 1.674 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.520 4.543 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.313 3.763 0.312 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 8.043 3.391 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.510 5.059 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.751 5.645 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.177 4.277 0.751 1.00 0.00 H new ATOM 0 HE ARG 2 34 10.010 3.323 -1.266 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.955 5.166 1.766 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.605 4.716 2.208 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.144 2.741 -0.692 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.847 3.340 0.814 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.460 2.370 -1.682 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.069 2.116 -1.344 1.00 0.00 C ATOM 1386 C GLY 2 35 1.257 3.414 -1.349 1.00 0.00 C ATOM 1387 O GLY 2 35 0.211 3.497 -0.709 1.00 0.00 O ATOM 0 H GLY 2 35 3.609 2.755 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.640 1.412 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.009 1.649 -0.361 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.772 4.393 -2.078 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.108 5.682 -2.175 1.00 0.00 C ATOM 1393 C CYS 2 36 0.796 5.953 -3.648 1.00 0.00 C ATOM 1394 O CYS 2 36 1.155 5.161 -4.519 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.949 6.799 -1.554 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.756 6.363 0.030 1.00 0.00 S ATOM 0 H CYS 2 36 2.641 4.320 -2.607 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.178 5.659 -1.607 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.718 7.095 -2.268 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.311 7.668 -1.393 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.133 7.075 -3.883 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.230 7.460 -5.236 1.00 0.00 C ATOM 1403 C CYS 2 37 0.359 8.844 -5.516 1.00 0.00 C ATOM 1404 O CYS 2 37 0.201 9.764 -4.715 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.746 7.433 -5.445 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.278 7.097 -7.163 1.00 0.00 S ATOM 0 H CYS 2 37 -0.162 7.730 -3.159 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.181 6.740 -5.944 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.175 6.673 -4.792 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.159 8.392 -5.133 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.577 7.095 -7.223 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.026 8.950 -6.656 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.640 10.206 -7.051 1.00 0.00 C ATOM 1413 C PHE 2 38 0.692 11.027 -7.927 1.00 0.00 C ATOM 1414 O PHE 2 38 0.290 10.582 -9.001 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.890 9.858 -7.861 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.799 11.054 -8.149 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.604 11.547 -7.171 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.800 11.626 -9.383 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.448 12.658 -7.438 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.643 12.736 -9.651 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.449 13.229 -8.673 1.00 0.00 C ATOM 0 H PHE 2 38 1.155 8.186 -7.319 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.880 10.797 -6.167 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.461 9.103 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.584 9.411 -8.807 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.602 11.094 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.159 11.235 -10.159 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.088 13.049 -6.661 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.644 13.189 -10.631 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.090 14.074 -8.877 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.361 12.212 -7.435 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.533 13.099 -8.159 1.00 0.00 C ATOM 1433 C ASP 2 39 0.261 13.851 -9.231 1.00 0.00 C ATOM 1434 O ASP 2 39 0.277 13.448 -10.393 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.159 14.135 -7.222 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.408 15.508 -7.850 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.330 15.590 -8.689 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.670 16.445 -7.476 1.00 0.00 O ATOM 0 H ASP 2 39 0.696 12.578 -6.544 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.321 12.493 -8.605 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.107 13.743 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.508 14.261 -6.357 1.00 0.00 H new ATOM 1443 N SER 2 40 0.898 14.930 -8.802 1.00 0.00 N ATOM 1444 CA SER 2 40 1.691 15.741 -9.710 1.00 0.00 C ATOM 1445 C SER 2 40 0.802 16.784 -10.392 1.00 0.00 C ATOM 1446 O SER 2 40 1.288 17.823 -10.837 1.00 0.00 O ATOM 1447 CB SER 2 40 2.389 14.872 -10.758 1.00 0.00 C ATOM 1448 OG SER 2 40 3.689 15.360 -11.076 1.00 0.00 O ATOM 0 H SER 2 40 0.881 15.262 -7.838 1.00 0.00 H new ATOM 0 HA SER 2 40 2.460 16.251 -9.130 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.466 13.850 -10.388 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.783 14.839 -11.663 1.00 0.00 H new ATOM 0 HG SER 2 40 4.353 14.916 -10.509 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.483 16.471 -10.452 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.444 17.368 -11.071 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.541 18.672 -10.276 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.574 19.756 -10.858 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.829 16.723 -11.149 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.726 15.248 -11.544 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.994 14.782 -12.262 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.662 14.321 -13.629 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.575 13.957 -14.541 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.879 13.998 -14.237 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.182 13.553 -15.756 1.00 0.00 N ATOM 0 H ARG 2 41 -0.882 15.608 -10.082 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.097 17.579 -12.082 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.330 16.811 -10.185 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.442 17.256 -11.876 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.862 15.101 -12.192 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.564 14.640 -10.654 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.463 13.974 -11.701 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.715 15.598 -12.310 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.678 14.278 -13.893 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.177 14.306 -13.312 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.573 13.721 -14.931 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.189 13.522 -15.987 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.876 13.276 -16.450 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.583 18.526 -8.961 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.676 19.677 -8.082 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.469 19.695 -7.141 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.394 18.898 -6.207 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.022 19.690 -7.354 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.108 19.024 -8.200 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.409 21.112 -6.942 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.499 19.309 -7.630 1.00 0.00 C ATOM 0 H ILE 2 42 -1.554 17.626 -8.482 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.644 20.600 -8.661 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.921 19.106 -6.439 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.050 19.389 -9.226 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.939 17.948 -8.234 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.369 21.093 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.648 21.518 -6.276 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.486 21.740 -7.830 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.253 18.824 -8.250 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.562 18.922 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.675 20.385 -7.620 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.470 20.636 -7.429 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.669 20.767 -6.620 1.00 0.00 C ATOM 1499 C PRO 2 43 1.358 21.438 -5.280 1.00 0.00 C ATOM 1500 O PRO 2 43 2.240 21.591 -4.438 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.635 21.571 -7.475 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.785 22.255 -8.533 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.414 21.597 -8.527 1.00 0.00 C ATOM 0 HA PRO 2 43 2.101 19.803 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.173 22.303 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.383 20.924 -7.933 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.698 23.321 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.249 22.161 -9.515 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.377 22.331 -8.371 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.208 21.102 -9.476 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.098 21.820 -5.125 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.342 22.470 -3.903 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.887 21.448 -2.904 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.205 21.795 -1.767 1.00 0.00 O ATOM 0 H GLY 2 44 -0.632 21.691 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.491 23.013 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.113 23.204 -4.135 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.979 20.209 -3.364 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.480 19.134 -2.524 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.414 18.042 -2.411 1.00 0.00 C ATOM 1521 O VAL 2 45 0.692 18.193 -2.926 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.810 18.616 -3.076 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.631 19.755 -3.685 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.583 17.498 -4.094 1.00 0.00 C ATOM 0 H VAL 2 45 -0.715 19.925 -4.308 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.681 19.498 -1.516 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.379 18.200 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.571 19.360 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.838 20.504 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.069 20.213 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.544 17.148 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.985 17.877 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.058 16.671 -3.615 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.796 16.938 -1.714 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.115 15.821 -1.527 1.00 0.00 C ATOM 1536 C PRO 2 46 0.253 15.004 -2.814 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.725 14.448 -3.309 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.476 15.020 -0.378 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.928 15.454 -0.271 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.097 16.723 -1.091 1.00 0.00 C ATOM 0 HA PRO 2 46 1.130 16.141 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.401 13.949 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.060 15.216 0.551 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.589 14.670 -0.640 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.197 15.633 0.770 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.881 16.609 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.379 17.567 -0.461 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.478 14.958 -3.318 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.758 14.219 -4.538 1.00 0.00 C ATOM 1550 C TRP 2 47 2.156 12.795 -4.147 1.00 0.00 C ATOM 1551 O TRP 2 47 2.908 12.138 -4.865 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.822 14.929 -5.377 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.113 16.363 -4.930 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.402 17.468 -5.192 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.227 16.804 -4.127 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.975 18.585 -4.620 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.121 18.169 -3.951 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.291 16.074 -3.567 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.044 18.921 -3.215 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.205 16.841 -2.835 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.112 18.216 -2.648 1.00 0.00 C ATOM 0 H TRP 2 47 2.287 15.420 -2.904 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.873 14.171 -5.172 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.746 14.352 -5.337 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.500 14.942 -6.418 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.494 17.482 -5.777 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.623 19.541 -4.677 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.395 15.006 -3.692 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.938 19.989 -3.091 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.042 16.329 -2.383 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.860 18.737 -2.068 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.635 12.360 -3.009 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.927 11.025 -2.514 1.00 0.00 C ATOM 1574 C CYS 2 48 0.976 10.725 -1.353 1.00 0.00 C ATOM 1575 O CYS 2 48 1.192 11.186 -0.234 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.394 10.883 -2.101 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.922 9.173 -1.721 1.00 0.00 S ATOM 0 H CYS 2 48 1.012 12.908 -2.415 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.770 10.297 -3.310 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.022 11.272 -2.902 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.572 11.506 -1.225 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.056 9.954 -1.661 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.041 9.586 -0.658 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.474 8.128 -0.822 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.881 7.385 -1.603 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.254 10.493 -0.868 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.446 10.949 -2.316 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.517 11.749 -2.905 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.544 10.555 -3.014 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.696 12.174 -4.249 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.722 10.978 -4.357 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.794 11.779 -4.947 1.00 0.00 C ATOM 0 H PHE 2 49 -0.232 9.574 -2.591 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.616 9.700 0.339 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.150 9.965 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.152 11.372 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.644 12.061 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.281 9.920 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.960 12.811 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.594 10.664 -4.911 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.929 12.101 -5.969 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.504 7.761 -0.073 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.023 6.406 -0.127 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.462 6.435 -0.644 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.399 6.139 0.098 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.871 5.720 1.233 1.00 0.00 C ATOM 1607 CG LYS 2 50 -1.489 5.080 1.374 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.730 5.673 2.564 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.721 5.983 2.189 1.00 0.00 C ATOM 1610 NZ LYS 2 50 1.539 6.186 3.405 1.00 0.00 N ATOM 0 H LYS 2 50 -2.993 8.379 0.575 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.445 5.804 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.021 6.448 2.030 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -3.642 4.958 1.348 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -1.594 4.003 1.505 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -0.917 5.235 0.459 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.226 6.584 2.899 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.752 4.973 3.399 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 1.133 5.164 1.599 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.759 6.876 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 2.358 6.785 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 0.964 6.650 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 1.871 5.266 3.758 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.598 6.804 -1.945 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.908 6.876 -2.570 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.448 5.478 -2.875 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.871 4.761 -1.969 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.701 7.718 -3.819 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.208 7.697 -4.095 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.512 7.161 -2.853 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.660 7.326 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.259 7.310 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.055 8.737 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -3.988 7.068 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.849 8.699 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.892 6.296 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.857 7.912 -2.411 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.414 5.130 -4.154 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.895 3.831 -4.589 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.719 2.854 -4.658 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.626 2.054 -5.587 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.667 3.957 -5.904 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.878 3.646 -7.178 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.586 4.208 -8.412 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -5.437 4.147 -7.066 1.00 0.00 C ATOM 0 H LEU 2 52 -6.060 5.726 -4.902 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.605 3.427 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.528 3.290 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.054 4.973 -5.979 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.834 2.563 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -7.005 3.973 -9.304 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -8.577 3.762 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.682 5.290 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -4.898 3.913 -7.984 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -5.438 5.226 -6.910 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -4.947 3.659 -6.224 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.851 2.951 -3.662 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.685 2.086 -3.598 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.088 0.634 -3.860 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.254 -0.184 -4.250 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.974 2.223 -2.249 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.382 3.623 -2.081 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.375 3.930 -3.192 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.450 4.940 -3.871 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.433 3.003 -3.338 1.00 0.00 N ATOM 0 H GLN 2 53 -4.932 3.616 -2.892 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.984 2.394 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.678 2.023 -1.441 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.182 1.478 -2.174 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.181 4.364 -2.095 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.893 3.701 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.429 2.181 -2.735 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.286 3.114 -4.053 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.363 0.357 -3.638 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.886 -0.984 -3.846 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.236 -1.621 -5.075 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.106 -2.843 -5.150 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.409 -0.963 -3.980 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.082 -1.386 -2.671 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.409 -0.651 -2.475 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.504 0.492 -2.971 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -10.299 -1.250 -1.832 1.00 0.00 O ATOM 0 H GLU 2 54 -6.051 1.038 -3.316 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.640 -1.589 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.739 0.038 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.716 -1.632 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.256 -2.462 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.418 -1.176 -1.832 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.843 -0.766 -6.009 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.210 -1.232 -7.231 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.440 -2.521 -6.942 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.837 -3.599 -7.383 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.311 -0.128 -7.792 1.00 0.00 C ATOM 0 H ALA 2 55 -4.951 0.246 -5.944 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.959 -1.460 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.836 -0.477 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.912 0.756 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.545 0.125 -7.059 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.351 -2.369 -6.203 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.520 -3.509 -5.849 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.130 -3.444 -4.371 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.166 -4.081 -3.952 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.280 -3.580 -6.742 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.501 -4.539 -7.914 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.926 -3.779 -9.171 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -0.185 -2.845 -9.547 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -1.982 -4.150 -9.729 1.00 0.00 O ATOM 0 H GLU 2 56 -2.024 -1.474 -5.839 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.097 -4.419 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.043 -2.586 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.577 -3.910 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.416 -5.094 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.265 -5.270 -7.651 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.900 -2.667 -3.623 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.648 -2.511 -2.201 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.490 -3.542 -1.447 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.949 -4.427 -0.787 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.935 -1.084 -1.729 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.649 -0.360 -0.647 1.00 0.00 S ATOM 0 H CYS 2 57 -2.698 -2.139 -3.975 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.592 -2.686 -1.995 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.056 -0.445 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.885 -1.077 -1.195 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.801 -3.392 -1.570 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.723 -4.299 -0.908 1.00 0.00 C ATOM 1726 C THR 2 58 -4.449 -5.743 -1.335 1.00 0.00 C ATOM 1727 O THR 2 58 -4.627 -6.670 -0.547 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.147 -3.833 -1.218 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.968 -4.659 -0.396 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.581 -4.180 -2.644 1.00 0.00 C ATOM 0 H THR 2 58 -4.246 -2.656 -2.118 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.588 -4.282 0.173 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.216 -2.755 -1.070 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.667 -4.113 0.021 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.599 -3.827 -2.811 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.909 -3.700 -3.356 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.545 -5.261 -2.783 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.023 -5.887 -2.581 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.724 -7.202 -3.122 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.083 -8.099 -2.060 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.318 -9.004 -2.387 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.731 -6.999 -4.268 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.116 -7.720 -5.561 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -3.198 -9.077 -5.585 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.377 -7.002 -6.686 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -3.556 -9.746 -6.785 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.736 -7.671 -7.887 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -3.818 -9.028 -7.912 1.00 0.00 C ATOM 0 H PHE 2 59 -3.878 -5.115 -3.232 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.642 -7.683 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.641 -5.932 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.748 -7.347 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -2.991 -9.646 -4.691 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.311 -5.924 -6.667 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -3.621 -10.824 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.944 -7.101 -8.781 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.091 -9.536 -8.825 1.00 0.00 H new