USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 58 THR OG1 : rot 146:sc= 0.144 USER MOD Set 1.2: 2 58 THR OG1 : rot -175:sc= -1.25 USER MOD Set 2.1: 1 23 TYR OH : rot -15:sc= -3.1! USER MOD Set 2.2: 2 23 TYR OH : rot 30:sc= -0.816! USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 60:sc= 0.0148 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.185 F(o=-2.1,f=-0.18) USER MOD Single : 1 33 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1.6!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.0663 USER MOD Single : 1 40 SER OG : rot 110:sc= 1.12 USER MOD Single : 1 50 LYS NZ :NH3+ -163:sc= -1.26 (180deg=-2.13!) USER MOD Single : 1 53 GLN : amide:sc= -11.4! C(o=-11!,f=-17!) USER MOD Single : 2 25 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.25) USER MOD Single : 2 27 THR OG1 : rot 62:sc= 0.181 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.239 F(o=-1.7,f=-0.24) USER MOD Single : 2 33 ASN : amide:sc= -0.0445 X(o=-0.045,f=-0.13) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.225 USER MOD Single : 2 40 SER OG : rot 180:sc= -0.315 USER MOD Single : 2 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 53 GLN : amide:sc= -25.4! C(o=-25!,f=-35!) USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.392 -16.231 -2.499 1.00 0.00 N ATOM 229 CA ASP 1 17 1.275 -15.552 -3.135 1.00 0.00 C ATOM 230 C ASP 1 17 1.367 -14.052 -2.848 1.00 0.00 C ATOM 231 O ASP 1 17 0.412 -13.312 -3.081 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.061 -16.058 -2.587 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.285 -15.697 -3.432 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.089 -14.978 -4.435 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.387 -16.150 -3.056 1.00 0.00 O ATOM 0 HA ASP 1 17 1.324 -15.751 -4.206 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.010 -17.143 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.200 -15.657 -1.583 1.00 0.00 H new ATOM 240 N ARG 1 18 2.524 -13.648 -2.346 1.00 0.00 N ATOM 241 CA ARG 1 18 2.753 -12.249 -2.025 1.00 0.00 C ATOM 242 C ARG 1 18 3.347 -11.518 -3.231 1.00 0.00 C ATOM 243 O ARG 1 18 3.627 -12.134 -4.258 1.00 0.00 O ATOM 244 CB ARG 1 18 3.700 -12.105 -0.832 1.00 0.00 C ATOM 245 CG ARG 1 18 3.236 -12.967 0.343 1.00 0.00 C ATOM 246 CD ARG 1 18 4.429 -13.575 1.083 1.00 0.00 C ATOM 247 NE ARG 1 18 3.986 -14.146 2.374 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.819 -14.503 3.362 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.142 -14.351 3.212 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.328 -15.013 4.501 1.00 0.00 N ATOM 0 H ARG 1 18 3.313 -14.265 -2.153 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.791 -11.807 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.708 -12.397 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.748 -11.060 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.646 -12.362 1.032 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.585 -13.762 -0.020 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.890 -14.351 0.472 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.188 -12.812 1.255 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.985 -14.276 2.521 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.516 -13.963 2.346 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.775 -14.623 3.964 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.321 -15.129 4.615 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.961 -15.285 5.253 1.00 0.00 H new ATOM 264 N VAL 1 19 3.523 -10.216 -3.065 1.00 0.00 N ATOM 265 CA VAL 1 19 4.079 -9.394 -4.127 1.00 0.00 C ATOM 266 C VAL 1 19 5.511 -8.998 -3.762 1.00 0.00 C ATOM 267 O VAL 1 19 6.048 -8.031 -4.301 1.00 0.00 O ATOM 268 CB VAL 1 19 3.173 -8.188 -4.385 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.520 -7.517 -5.716 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.698 -8.592 -4.343 1.00 0.00 C ATOM 0 H VAL 1 19 3.290 -9.709 -2.211 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.124 -9.955 -5.060 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.345 -7.463 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.862 -6.663 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.556 -7.178 -5.693 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.390 -8.232 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.076 -7.717 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.505 -9.344 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.461 -9.003 -3.362 1.00 0.00 H new ATOM 280 N ASP 1 20 6.089 -9.765 -2.850 1.00 0.00 N ATOM 281 CA ASP 1 20 7.449 -9.507 -2.407 1.00 0.00 C ATOM 282 C ASP 1 20 7.721 -8.002 -2.465 1.00 0.00 C ATOM 283 O ASP 1 20 8.218 -7.496 -3.470 1.00 0.00 O ATOM 284 CB ASP 1 20 8.464 -10.207 -3.310 1.00 0.00 C ATOM 285 CG ASP 1 20 9.851 -9.561 -3.346 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.410 -9.354 -2.248 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.321 -9.289 -4.473 1.00 0.00 O ATOM 0 H ASP 1 20 5.640 -10.566 -2.405 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.551 -9.886 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.569 -11.240 -2.980 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.066 -10.235 -4.325 1.00 0.00 H new ATOM 292 N CYS 1 21 7.386 -7.330 -1.373 1.00 0.00 N ATOM 293 CA CYS 1 21 7.589 -5.893 -1.288 1.00 0.00 C ATOM 294 C CYS 1 21 9.024 -5.584 -1.721 1.00 0.00 C ATOM 295 O CYS 1 21 9.281 -4.555 -2.344 1.00 0.00 O ATOM 296 CB CYS 1 21 7.290 -5.363 0.116 1.00 0.00 C ATOM 297 SG CYS 1 21 6.316 -3.814 0.159 1.00 0.00 S ATOM 0 H CYS 1 21 6.976 -7.753 -0.541 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.892 -5.384 -1.954 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.751 -6.130 0.672 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.234 -5.197 0.635 1.00 0.00 H new ATOM 302 N GLY 1 22 9.922 -6.495 -1.374 1.00 0.00 N ATOM 303 CA GLY 1 22 11.323 -6.333 -1.720 1.00 0.00 C ATOM 304 C GLY 1 22 11.807 -4.917 -1.399 1.00 0.00 C ATOM 305 O GLY 1 22 12.228 -4.183 -2.292 1.00 0.00 O ATOM 0 H GLY 1 22 9.706 -7.347 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.923 -7.059 -1.172 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.465 -6.538 -2.781 1.00 0.00 H new ATOM 309 N TYR 1 23 11.731 -4.576 -0.121 1.00 0.00 N ATOM 310 CA TYR 1 23 12.156 -3.261 0.330 1.00 0.00 C ATOM 311 C TYR 1 23 13.628 -3.273 0.749 1.00 0.00 C ATOM 312 O TYR 1 23 14.109 -4.259 1.307 1.00 0.00 O ATOM 313 CB TYR 1 23 11.293 -2.934 1.550 1.00 0.00 C ATOM 314 CG TYR 1 23 10.270 -1.822 1.309 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.635 -0.502 1.474 1.00 0.00 C ATOM 316 CD2 TYR 1 23 8.982 -2.140 0.927 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.673 0.545 1.248 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.020 -1.094 0.701 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.413 0.197 0.872 1.00 0.00 C ATOM 320 OH TYR 1 23 7.503 1.186 0.658 1.00 0.00 O ATOM 0 H TYR 1 23 11.381 -5.187 0.617 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.046 -2.528 -0.469 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.767 -3.836 1.862 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.943 -2.643 2.375 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.643 -0.254 1.773 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.697 -3.174 0.798 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.945 1.582 1.374 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.009 -1.329 0.402 1.00 0.00 H new ATOM 0 HH TYR 1 23 7.835 2.025 1.042 1.00 0.00 H new ATOM 330 N PRO 1 24 14.318 -2.139 0.456 1.00 0.00 N ATOM 331 CA PRO 1 24 15.725 -2.011 0.796 1.00 0.00 C ATOM 332 C PRO 1 24 15.907 -1.775 2.297 1.00 0.00 C ATOM 333 O PRO 1 24 17.029 -1.785 2.799 1.00 0.00 O ATOM 334 CB PRO 1 24 16.231 -0.856 -0.051 1.00 0.00 C ATOM 335 CG PRO 1 24 14.995 -0.084 -0.485 1.00 0.00 C ATOM 336 CD PRO 1 24 13.780 -0.954 -0.204 1.00 0.00 C ATOM 0 HA PRO 1 24 16.292 -2.919 0.588 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.908 -0.220 0.520 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.788 -1.220 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.923 0.859 0.058 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.051 0.162 -1.545 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.062 -0.438 0.433 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.259 -1.216 -1.125 1.00 0.00 H new ATOM 344 N HIS 1 25 14.785 -1.570 2.972 1.00 0.00 N ATOM 345 CA HIS 1 25 14.806 -1.334 4.405 1.00 0.00 C ATOM 346 C HIS 1 25 13.939 -2.377 5.112 1.00 0.00 C ATOM 347 O HIS 1 25 13.600 -2.219 6.283 1.00 0.00 O ATOM 348 CB HIS 1 25 14.383 0.102 4.724 1.00 0.00 C ATOM 349 CG HIS 1 25 15.525 1.090 4.744 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.434 1.163 5.784 1.00 0.00 N ATOM 351 CD2 HIS 1 25 15.896 2.041 3.840 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.309 2.120 5.508 1.00 0.00 C ATOM 353 NE2 HIS 1 25 16.972 2.664 4.303 1.00 0.00 N ATOM 0 H HIS 1 25 13.855 -1.563 2.552 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.823 -1.445 4.780 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.649 0.426 3.986 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.887 0.116 5.694 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.398 2.252 2.905 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.142 2.417 6.128 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.466 3.424 3.835 1.00 0.00 H new ATOM 362 N VAL 1 26 13.605 -3.423 4.369 1.00 0.00 N ATOM 363 CA VAL 1 26 12.785 -4.494 4.908 1.00 0.00 C ATOM 364 C VAL 1 26 13.195 -4.763 6.358 1.00 0.00 C ATOM 365 O VAL 1 26 14.370 -4.988 6.643 1.00 0.00 O ATOM 366 CB VAL 1 26 12.890 -5.734 4.018 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.341 -5.994 3.609 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.286 -6.958 4.710 1.00 0.00 C ATOM 0 H VAL 1 26 13.888 -3.551 3.397 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.734 -4.204 4.914 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.316 -5.545 3.111 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.388 -6.881 2.977 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.723 -5.135 3.058 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.948 -6.152 4.501 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.373 -7.826 4.056 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.820 -7.150 5.641 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.234 -6.771 4.927 1.00 0.00 H new ATOM 378 N THR 1 27 12.203 -4.729 7.236 1.00 0.00 N ATOM 379 CA THR 1 27 12.444 -4.967 8.649 1.00 0.00 C ATOM 380 C THR 1 27 11.124 -5.207 9.384 1.00 0.00 C ATOM 381 O THR 1 27 10.072 -4.751 8.940 1.00 0.00 O ATOM 382 CB THR 1 27 13.239 -3.780 9.199 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.458 -4.358 9.654 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.611 -3.191 10.463 1.00 0.00 C ATOM 0 H THR 1 27 11.230 -4.540 6.996 1.00 0.00 H new ATOM 0 HA THR 1 27 13.033 -5.871 8.802 1.00 0.00 H new ATOM 0 HB THR 1 27 13.311 -3.006 8.435 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.918 -4.786 8.902 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.214 -2.352 10.812 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.602 -2.845 10.240 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.569 -3.955 11.239 1.00 0.00 H new ATOM 392 N PRO 1 28 11.226 -5.942 10.522 1.00 0.00 N ATOM 393 CA PRO 1 28 10.053 -6.248 11.323 1.00 0.00 C ATOM 394 C PRO 1 28 9.593 -5.021 12.115 1.00 0.00 C ATOM 395 O PRO 1 28 9.400 -5.096 13.326 1.00 0.00 O ATOM 396 CB PRO 1 28 10.475 -7.404 12.214 1.00 0.00 C ATOM 397 CG PRO 1 28 11.995 -7.398 12.213 1.00 0.00 C ATOM 398 CD PRO 1 28 12.457 -6.498 11.078 1.00 0.00 C ATOM 0 HA PRO 1 28 9.191 -6.524 10.716 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.085 -7.281 13.224 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.088 -8.350 11.836 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.376 -7.035 13.167 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.381 -8.409 12.080 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.119 -5.711 11.441 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.012 -7.060 10.327 1.00 0.00 H new ATOM 406 N LYS 1 29 9.431 -3.921 11.395 1.00 0.00 N ATOM 407 CA LYS 1 29 8.998 -2.679 12.014 1.00 0.00 C ATOM 408 C LYS 1 29 8.949 -1.576 10.955 1.00 0.00 C ATOM 409 O LYS 1 29 8.251 -0.578 11.126 1.00 0.00 O ATOM 410 CB LYS 1 29 9.883 -2.342 13.214 1.00 0.00 C ATOM 411 CG LYS 1 29 9.079 -1.638 14.310 1.00 0.00 C ATOM 412 CD LYS 1 29 8.973 -2.513 15.560 1.00 0.00 C ATOM 413 CE LYS 1 29 8.723 -1.662 16.806 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.366 -1.913 17.342 1.00 0.00 N ATOM 0 H LYS 1 29 9.592 -3.863 10.389 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.989 -2.783 12.412 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.325 -3.255 13.612 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.706 -1.703 12.895 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.555 -0.691 14.564 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.081 -1.404 13.940 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.163 -3.231 15.437 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.891 -3.087 15.685 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 9.469 -1.892 17.567 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.834 -0.606 16.560 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.213 -1.327 18.188 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 6.657 -1.671 16.620 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 7.273 -2.917 17.595 1.00 0.00 H new ATOM 428 N GLU 1 30 9.700 -1.793 9.886 1.00 0.00 N ATOM 429 CA GLU 1 30 9.751 -0.830 8.799 1.00 0.00 C ATOM 430 C GLU 1 30 8.762 -1.217 7.699 1.00 0.00 C ATOM 431 O GLU 1 30 8.044 -0.366 7.176 1.00 0.00 O ATOM 432 CB GLU 1 30 11.171 -0.707 8.241 1.00 0.00 C ATOM 433 CG GLU 1 30 11.829 0.595 8.701 1.00 0.00 C ATOM 434 CD GLU 1 30 12.751 0.351 9.898 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.205 0.079 10.989 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.982 0.442 9.695 1.00 0.00 O ATOM 0 H GLU 1 30 10.279 -2.622 9.749 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.464 0.146 9.191 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.769 -1.557 8.569 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.142 -0.739 7.152 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.400 1.028 7.880 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.061 1.319 8.971 1.00 0.00 H new ATOM 443 N CYS 1 31 8.755 -2.503 7.378 1.00 0.00 N ATOM 444 CA CYS 1 31 7.865 -3.013 6.350 1.00 0.00 C ATOM 445 C CYS 1 31 6.431 -2.635 6.723 1.00 0.00 C ATOM 446 O CYS 1 31 5.711 -2.045 5.921 1.00 0.00 O ATOM 447 CB CYS 1 31 8.027 -4.523 6.160 1.00 0.00 C ATOM 448 SG CYS 1 31 9.505 -5.023 5.205 1.00 0.00 S ATOM 0 H CYS 1 31 9.352 -3.207 7.812 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.119 -2.563 5.390 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.069 -4.996 7.141 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.140 -4.909 5.658 1.00 0.00 H new ATOM 453 N ASN 1 32 6.058 -2.992 7.944 1.00 0.00 N ATOM 454 CA ASN 1 32 4.722 -2.699 8.435 1.00 0.00 C ATOM 455 C ASN 1 32 4.555 -1.183 8.569 1.00 0.00 C ATOM 456 O ASN 1 32 3.468 -0.701 8.882 1.00 0.00 O ATOM 457 CB ASN 1 32 4.491 -3.323 9.813 1.00 0.00 C ATOM 458 CG ASN 1 32 3.773 -4.669 9.691 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.408 -5.555 8.928 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.712 -4.888 10.251 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.658 -3.482 8.608 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.004 -3.114 7.727 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.447 -3.461 10.319 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.899 -2.645 10.429 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.278 -4.163 10.823 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.259 -5.796 10.148 1.00 0.00 H new ATOM 467 N ASN 1 33 5.649 -0.475 8.325 1.00 0.00 N ATOM 468 CA ASN 1 33 5.637 0.974 8.414 1.00 0.00 C ATOM 469 C ASN 1 33 5.520 1.567 7.009 1.00 0.00 C ATOM 470 O ASN 1 33 4.919 2.624 6.824 1.00 0.00 O ATOM 471 CB ASN 1 33 6.930 1.498 9.042 1.00 0.00 C ATOM 472 CG ASN 1 33 6.729 2.900 9.622 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.642 3.452 9.615 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.836 3.441 10.121 1.00 0.00 N ATOM 0 H ASN 1 33 6.549 -0.879 8.066 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.790 1.266 9.035 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.258 0.819 9.829 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.720 1.521 8.291 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.807 4.375 10.531 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.714 2.922 10.094 1.00 0.00 H new ATOM 481 N ARG 1 34 6.104 0.860 6.052 1.00 0.00 N ATOM 482 CA ARG 1 34 6.074 1.302 4.668 1.00 0.00 C ATOM 483 C ARG 1 34 4.740 0.927 4.021 1.00 0.00 C ATOM 484 O ARG 1 34 4.328 1.543 3.038 1.00 0.00 O ATOM 485 CB ARG 1 34 7.216 0.677 3.865 1.00 0.00 C ATOM 486 CG ARG 1 34 8.502 0.622 4.692 1.00 0.00 C ATOM 487 CD ARG 1 34 9.646 1.340 3.973 1.00 0.00 C ATOM 488 NE ARG 1 34 10.414 2.159 4.939 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.585 2.750 4.658 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.128 2.616 3.441 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.211 3.474 5.596 1.00 0.00 N ATOM 0 H ARG 1 34 6.601 -0.017 6.208 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.193 2.385 4.663 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.937 -0.329 3.552 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.387 1.257 2.958 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.333 1.083 5.665 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.777 -0.417 4.875 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.303 0.611 3.498 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.248 1.974 3.181 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.029 2.281 5.876 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.651 2.065 2.728 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.018 3.065 3.228 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.797 3.575 6.523 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.101 3.924 5.383 1.00 0.00 H new ATOM 505 N GLY 1 35 4.100 -0.080 4.599 1.00 0.00 N ATOM 506 CA GLY 1 35 2.820 -0.543 4.089 1.00 0.00 C ATOM 507 C GLY 1 35 2.914 -1.992 3.609 1.00 0.00 C ATOM 508 O GLY 1 35 2.150 -2.413 2.740 1.00 0.00 O ATOM 0 H GLY 1 35 4.444 -0.587 5.414 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.063 -0.463 4.869 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.499 0.096 3.267 1.00 0.00 H new ATOM 512 N CYS 1 36 3.857 -2.716 4.193 1.00 0.00 N ATOM 513 CA CYS 1 36 4.060 -4.110 3.836 1.00 0.00 C ATOM 514 C CYS 1 36 3.821 -4.966 5.080 1.00 0.00 C ATOM 515 O CYS 1 36 3.480 -4.443 6.141 1.00 0.00 O ATOM 516 CB CYS 1 36 5.450 -4.344 3.241 1.00 0.00 C ATOM 517 SG CYS 1 36 5.928 -3.170 1.921 1.00 0.00 S ATOM 0 H CYS 1 36 4.489 -2.363 4.911 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.350 -4.395 3.059 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.187 -4.288 4.042 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.492 -5.357 2.840 1.00 0.00 H new ATOM 522 N CYS 1 37 4.008 -6.267 4.911 1.00 0.00 N ATOM 523 CA CYS 1 37 3.817 -7.200 6.008 1.00 0.00 C ATOM 524 C CYS 1 37 5.082 -8.049 6.142 1.00 0.00 C ATOM 525 O CYS 1 37 5.481 -8.728 5.197 1.00 0.00 O ATOM 526 CB CYS 1 37 2.570 -8.062 5.806 1.00 0.00 C ATOM 527 SG CYS 1 37 1.804 -8.678 7.350 1.00 0.00 S ATOM 0 H CYS 1 37 4.290 -6.697 4.030 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.651 -6.648 6.933 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.829 -7.481 5.256 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.833 -8.916 5.182 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.757 -9.392 7.060 1.00 0.00 H new ATOM 532 N PHE 1 38 5.678 -7.984 7.324 1.00 0.00 N ATOM 533 CA PHE 1 38 6.889 -8.739 7.594 1.00 0.00 C ATOM 534 C PHE 1 38 6.559 -10.135 8.126 1.00 0.00 C ATOM 535 O PHE 1 38 5.918 -10.271 9.168 1.00 0.00 O ATOM 536 CB PHE 1 38 7.667 -7.970 8.664 1.00 0.00 C ATOM 537 CG PHE 1 38 9.059 -8.537 8.950 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.122 -8.138 8.201 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.233 -9.438 9.953 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.413 -8.664 8.466 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.526 -9.963 10.218 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.589 -9.565 9.469 1.00 0.00 C ATOM 0 H PHE 1 38 5.344 -7.420 8.105 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.466 -8.856 6.676 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.767 -6.931 8.350 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.089 -7.969 9.588 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.984 -7.421 7.405 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.389 -9.754 10.548 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.257 -8.348 7.870 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.665 -10.679 11.015 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.572 -9.964 9.671 1.00 0.00 H new ATOM 552 N ASP 1 39 7.009 -11.138 7.385 1.00 0.00 N ATOM 553 CA ASP 1 39 6.769 -12.518 7.769 1.00 0.00 C ATOM 554 C ASP 1 39 7.909 -12.998 8.671 1.00 0.00 C ATOM 555 O ASP 1 39 7.776 -13.008 9.894 1.00 0.00 O ATOM 556 CB ASP 1 39 6.721 -13.431 6.543 1.00 0.00 C ATOM 557 CG ASP 1 39 6.566 -14.921 6.852 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.482 -15.288 7.356 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.535 -15.661 6.576 1.00 0.00 O ATOM 0 H ASP 1 39 7.538 -11.022 6.521 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.812 -12.561 8.289 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.892 -13.119 5.908 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.635 -13.288 5.966 1.00 0.00 H new ATOM 564 N SER 1 40 9.004 -13.385 8.031 1.00 0.00 N ATOM 565 CA SER 1 40 10.165 -13.865 8.760 1.00 0.00 C ATOM 566 C SER 1 40 10.015 -15.358 9.060 1.00 0.00 C ATOM 567 O SER 1 40 10.980 -16.018 9.441 1.00 0.00 O ATOM 568 CB SER 1 40 10.364 -13.080 10.058 1.00 0.00 C ATOM 569 OG SER 1 40 11.735 -12.759 10.283 1.00 0.00 O ATOM 0 H SER 1 40 9.111 -13.376 7.017 1.00 0.00 H new ATOM 0 HA SER 1 40 11.046 -13.713 8.137 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.778 -12.162 10.020 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.986 -13.665 10.897 1.00 0.00 H new ATOM 0 HG SER 1 40 11.869 -11.795 10.165 1.00 0.00 H new ATOM 575 N ARG 1 41 8.796 -15.846 8.878 1.00 0.00 N ATOM 576 CA ARG 1 41 8.508 -17.248 9.124 1.00 0.00 C ATOM 577 C ARG 1 41 9.242 -18.127 8.110 1.00 0.00 C ATOM 578 O ARG 1 41 9.775 -19.178 8.465 1.00 0.00 O ATOM 579 CB ARG 1 41 7.006 -17.525 9.035 1.00 0.00 C ATOM 580 CG ARG 1 41 6.223 -16.609 9.977 1.00 0.00 C ATOM 581 CD ARG 1 41 4.953 -17.297 10.483 1.00 0.00 C ATOM 582 NE ARG 1 41 5.203 -17.910 11.807 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.423 -18.850 12.357 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.341 -19.291 11.703 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.727 -19.350 13.563 1.00 0.00 N ATOM 0 H ARG 1 41 7.997 -15.295 8.563 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.851 -17.485 10.131 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.665 -17.376 8.010 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.809 -18.567 9.288 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.851 -16.330 10.823 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.959 -15.688 9.458 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 4.141 -16.573 10.556 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.636 -18.061 9.773 1.00 0.00 H new ATOM 0 HE ARG 1 41 6.019 -17.597 12.333 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 3.110 -18.911 10.785 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.748 -20.007 12.123 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.552 -19.015 14.061 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.134 -20.066 13.983 1.00 0.00 H new ATOM 599 N ILE 1 42 9.246 -17.666 6.867 1.00 0.00 N ATOM 600 CA ILE 1 42 9.906 -18.398 5.800 1.00 0.00 C ATOM 601 C ILE 1 42 10.951 -17.497 5.140 1.00 0.00 C ATOM 602 O ILE 1 42 10.603 -16.545 4.443 1.00 0.00 O ATOM 603 CB ILE 1 42 8.875 -18.964 4.820 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.559 -19.282 5.534 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.433 -20.178 4.077 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.614 -20.063 4.618 1.00 0.00 C ATOM 0 H ILE 1 42 8.803 -16.795 6.576 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.437 -19.261 6.202 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.660 -18.202 4.071 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.760 -19.862 6.435 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.080 -18.356 5.852 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.680 -20.560 3.388 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.322 -19.886 3.518 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.695 -20.955 4.795 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.686 -20.276 5.149 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.396 -19.470 3.730 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.086 -21.000 4.322 1.00 0.00 H new ATOM 618 N PRO 1 43 12.244 -17.837 5.389 1.00 0.00 N ATOM 619 CA PRO 1 43 13.341 -17.070 4.826 1.00 0.00 C ATOM 620 C PRO 1 43 13.514 -17.369 3.336 1.00 0.00 C ATOM 621 O PRO 1 43 14.346 -16.757 2.668 1.00 0.00 O ATOM 622 CB PRO 1 43 14.557 -17.457 5.654 1.00 0.00 C ATOM 623 CG PRO 1 43 14.194 -18.763 6.340 1.00 0.00 C ATOM 624 CD PRO 1 43 12.693 -18.958 6.209 1.00 0.00 C ATOM 0 HA PRO 1 43 13.168 -15.995 4.872 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.437 -17.579 5.023 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.794 -16.684 6.385 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.728 -19.596 5.882 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.485 -18.736 7.390 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.457 -19.912 5.738 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.207 -18.955 7.184 1.00 0.00 H new ATOM 632 N GLY 1 44 12.712 -18.309 2.858 1.00 0.00 N ATOM 633 CA GLY 1 44 12.765 -18.697 1.458 1.00 0.00 C ATOM 634 C GLY 1 44 11.758 -17.899 0.630 1.00 0.00 C ATOM 635 O GLY 1 44 11.749 -17.986 -0.597 1.00 0.00 O ATOM 0 H GLY 1 44 12.022 -18.813 3.415 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.770 -18.534 1.070 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.555 -19.763 1.364 1.00 0.00 H new ATOM 639 N VAL 1 45 10.931 -17.139 1.334 1.00 0.00 N ATOM 640 CA VAL 1 45 9.921 -16.325 0.677 1.00 0.00 C ATOM 641 C VAL 1 45 10.132 -14.858 1.055 1.00 0.00 C ATOM 642 O VAL 1 45 11.089 -14.523 1.750 1.00 0.00 O ATOM 643 CB VAL 1 45 8.524 -16.839 1.032 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.522 -18.361 1.187 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.994 -16.159 2.296 1.00 0.00 C ATOM 0 H VAL 1 45 10.940 -17.070 2.352 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.015 -16.399 -0.406 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.855 -16.585 0.209 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.517 -18.700 1.439 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.836 -18.822 0.251 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.211 -18.647 1.982 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 7.000 -16.542 2.526 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.665 -16.367 3.130 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.939 -15.082 2.134 1.00 0.00 H new ATOM 655 N PRO 1 46 9.197 -13.999 0.567 1.00 0.00 N ATOM 656 CA PRO 1 46 9.270 -12.575 0.845 1.00 0.00 C ATOM 657 C PRO 1 46 8.845 -12.274 2.284 1.00 0.00 C ATOM 658 O PRO 1 46 7.698 -12.515 2.659 1.00 0.00 O ATOM 659 CB PRO 1 46 8.367 -11.924 -0.190 1.00 0.00 C ATOM 660 CG PRO 1 46 7.462 -13.031 -0.708 1.00 0.00 C ATOM 661 CD PRO 1 46 8.049 -14.360 -0.260 1.00 0.00 C ATOM 0 HA PRO 1 46 10.285 -12.184 0.770 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.783 -11.117 0.253 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.952 -11.487 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.451 -12.910 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.393 -12.991 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.322 -14.944 0.305 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.351 -14.967 -1.113 1.00 0.00 H new ATOM 669 N TRP 1 47 9.792 -11.753 3.051 1.00 0.00 N ATOM 670 CA TRP 1 47 9.529 -11.418 4.440 1.00 0.00 C ATOM 671 C TRP 1 47 9.044 -9.969 4.493 1.00 0.00 C ATOM 672 O TRP 1 47 9.225 -9.286 5.499 1.00 0.00 O ATOM 673 CB TRP 1 47 10.765 -11.666 5.307 1.00 0.00 C ATOM 674 CG TRP 1 47 11.886 -12.424 4.591 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.983 -13.743 4.377 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.070 -11.851 4.000 1.00 0.00 C ATOM 677 NE1 TRP 1 47 13.141 -14.061 3.694 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.822 -12.873 3.457 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.493 -10.511 3.925 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.041 -12.663 2.803 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.714 -10.319 3.268 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.483 -11.337 2.717 1.00 0.00 C ATOM 0 H TRP 1 47 10.742 -11.555 2.737 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.751 -12.061 4.851 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.152 -10.707 5.653 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.468 -12.228 6.192 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.248 -14.467 4.698 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.441 -14.995 3.415 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.921 -9.695 4.341 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.611 -13.480 2.387 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.085 -9.308 3.183 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.416 -11.107 2.225 1.00 0.00 H new ATOM 693 N CYS 1 48 8.436 -9.541 3.395 1.00 0.00 N ATOM 694 CA CYS 1 48 7.923 -8.185 3.304 1.00 0.00 C ATOM 695 C CYS 1 48 7.079 -8.075 2.033 1.00 0.00 C ATOM 696 O CYS 1 48 7.613 -8.100 0.925 1.00 0.00 O ATOM 697 CB CYS 1 48 9.050 -7.151 3.331 1.00 0.00 C ATOM 698 SG CYS 1 48 8.494 -5.413 3.464 1.00 0.00 S ATOM 0 H CYS 1 48 8.288 -10.110 2.562 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.300 -7.970 4.172 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.707 -7.373 4.172 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.645 -7.259 2.424 1.00 0.00 H new ATOM 703 N PHE 1 49 5.775 -7.955 2.235 1.00 0.00 N ATOM 704 CA PHE 1 49 4.852 -7.842 1.119 1.00 0.00 C ATOM 705 C PHE 1 49 3.649 -6.971 1.488 1.00 0.00 C ATOM 706 O PHE 1 49 3.635 -6.344 2.546 1.00 0.00 O ATOM 707 CB PHE 1 49 4.363 -9.256 0.797 1.00 0.00 C ATOM 708 CG PHE 1 49 4.309 -10.186 2.010 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.462 -10.621 2.586 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.107 -10.581 2.512 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.412 -11.485 3.711 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.058 -11.444 3.638 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.211 -11.878 4.213 1.00 0.00 C ATOM 0 H PHE 1 49 5.336 -7.934 3.155 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.353 -7.381 0.268 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.369 -9.194 0.355 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.019 -9.694 0.045 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.416 -10.309 2.187 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.191 -10.238 2.054 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.328 -11.830 4.168 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.105 -11.756 4.038 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.173 -12.535 5.069 1.00 0.00 H new ATOM 723 N LYS 1 50 2.670 -6.961 0.595 1.00 0.00 N ATOM 724 CA LYS 1 50 1.467 -6.178 0.814 1.00 0.00 C ATOM 725 C LYS 1 50 0.254 -7.109 0.837 1.00 0.00 C ATOM 726 O LYS 1 50 -0.553 -7.107 -0.090 1.00 0.00 O ATOM 727 CB LYS 1 50 1.361 -5.057 -0.223 1.00 0.00 C ATOM 728 CG LYS 1 50 2.200 -5.375 -1.462 1.00 0.00 C ATOM 729 CD LYS 1 50 3.617 -4.815 -1.323 1.00 0.00 C ATOM 730 CE LYS 1 50 3.586 -3.328 -0.967 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.449 -2.658 -1.636 1.00 0.00 N ATOM 0 H LYS 1 50 2.686 -7.483 -0.281 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.507 -5.682 1.784 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.319 -4.920 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.696 -4.117 0.216 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.244 -6.454 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.723 -4.953 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.156 -5.366 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.162 -4.958 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.502 -3.208 0.113 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.522 -2.857 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.599 -1.629 -1.627 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.380 -2.990 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.568 -2.884 -1.132 1.00 0.00 H new ATOM 745 N PRO 1 51 0.162 -7.904 1.937 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.939 -8.840 2.094 1.00 0.00 C ATOM 747 C PRO 1 51 -2.229 -8.111 2.471 1.00 0.00 C ATOM 748 O PRO 1 51 -2.934 -7.597 1.603 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.475 -9.818 3.162 1.00 0.00 C ATOM 750 CG PRO 1 51 0.665 -9.127 3.891 1.00 0.00 C ATOM 751 CD PRO 1 51 1.099 -7.935 3.056 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.180 -9.365 1.170 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.286 -10.062 3.848 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.142 -10.755 2.716 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.344 -8.803 4.881 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.498 -9.815 4.036 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.057 -7.011 3.633 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.126 -8.048 2.709 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.501 -8.087 3.768 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.694 -7.428 4.271 1.00 0.00 C ATOM 761 C LEU 1 52 -3.356 -5.983 4.641 1.00 0.00 C ATOM 762 O LEU 1 52 -3.937 -5.423 5.570 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.305 -8.231 5.422 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.837 -7.849 6.828 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.972 -7.206 7.627 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.237 -9.056 7.552 1.00 0.00 C ATOM 0 H LEU 1 52 -1.915 -8.514 4.486 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.461 -7.388 3.498 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.389 -8.123 5.379 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.083 -9.286 5.261 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.047 -7.104 6.736 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.613 -6.944 8.622 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.313 -6.306 7.115 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.800 -7.909 7.713 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.912 -8.758 8.549 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.989 -9.841 7.635 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.382 -9.430 6.989 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.418 -5.419 3.894 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.996 -4.048 4.133 1.00 0.00 C ATOM 780 C GLN 1 53 -3.206 -3.113 4.132 1.00 0.00 C ATOM 781 O GLN 1 53 -3.146 -2.014 4.682 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.961 -3.606 3.097 1.00 0.00 C ATOM 783 CG GLN 1 53 0.302 -4.466 3.181 1.00 0.00 C ATOM 784 CD GLN 1 53 0.909 -4.413 4.584 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.257 -5.420 5.178 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.017 -3.183 5.080 1.00 0.00 N ATOM 0 H GLN 1 53 -1.939 -5.885 3.124 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.524 -3.999 5.114 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.389 -3.678 2.097 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.704 -2.559 3.259 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.062 -5.498 2.924 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.033 -4.117 2.451 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.706 -2.382 4.530 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.410 -3.041 6.010 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.277 -3.582 3.510 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.500 -2.800 3.431 1.00 0.00 C ATOM 797 C GLU 1 54 -5.759 -2.085 4.758 1.00 0.00 C ATOM 798 O GLU 1 54 -6.415 -1.045 4.789 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.689 -3.680 3.040 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.271 -4.390 4.265 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.308 -3.511 4.967 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.309 -3.172 4.301 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.076 -3.198 6.155 1.00 0.00 O ATOM 0 H GLU 1 54 -4.324 -4.494 3.056 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.377 -2.046 2.653 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.459 -3.069 2.569 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.373 -4.418 2.303 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.732 -5.330 3.960 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.469 -4.639 4.960 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.231 -2.671 5.822 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.397 -2.103 7.149 1.00 0.00 C ATOM 812 C ALA 1 55 -5.228 -0.584 7.073 1.00 0.00 C ATOM 813 O ALA 1 55 -6.213 0.151 7.019 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.400 -2.753 8.112 1.00 0.00 C ATOM 0 H ALA 1 55 -4.688 -3.534 5.792 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.398 -2.305 7.531 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.525 -2.327 9.107 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.580 -3.827 8.152 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.384 -2.569 7.763 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.974 -0.159 7.074 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.663 1.259 7.006 1.00 0.00 C ATOM 822 C GLU 1 56 -3.029 1.599 5.656 1.00 0.00 C ATOM 823 O GLU 1 56 -2.338 2.609 5.529 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.752 1.677 8.162 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.522 2.497 9.199 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.764 3.924 8.699 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -4.422 4.052 7.644 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.285 4.853 9.384 1.00 0.00 O ATOM 0 H GLU 1 56 -3.160 -0.772 7.121 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.593 1.820 7.100 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.329 0.791 8.635 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.917 2.262 7.778 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.476 2.016 9.413 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -2.963 2.525 10.134 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.287 0.738 4.683 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.749 0.935 3.348 1.00 0.00 C ATOM 837 C CYS 1 57 -3.898 1.339 2.422 1.00 0.00 C ATOM 838 O CYS 1 57 -3.811 2.347 1.722 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.020 -0.312 2.842 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.654 0.020 1.671 1.00 0.00 S ATOM 0 H CYS 1 57 -3.861 -0.098 4.792 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.003 1.729 3.368 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.621 -0.855 3.699 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.744 -0.967 2.358 1.00 0.00 H new ATOM 845 N THR 1 58 -4.949 0.533 2.448 1.00 0.00 N ATOM 846 CA THR 1 58 -6.113 0.794 1.620 1.00 0.00 C ATOM 847 C THR 1 58 -6.686 2.178 1.927 1.00 0.00 C ATOM 848 O THR 1 58 -7.269 2.821 1.055 1.00 0.00 O ATOM 849 CB THR 1 58 -7.115 -0.341 1.842 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.095 -1.067 0.616 1.00 0.00 O ATOM 851 CG2 THR 1 58 -8.556 0.162 1.952 1.00 0.00 C ATOM 0 H THR 1 58 -5.018 -0.302 3.030 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.850 0.813 0.562 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.850 -0.886 2.748 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.225 -2.021 0.799 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -9.226 -0.684 2.109 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -8.638 0.851 2.793 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.832 0.678 1.033 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.501 2.598 3.170 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.992 3.896 3.603 1.00 0.00 C ATOM 861 C PHE 1 59 -6.879 4.928 2.479 1.00 0.00 C ATOM 862 O PHE 1 59 -7.390 6.040 2.599 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.114 4.337 4.775 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.867 5.110 5.861 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.570 4.435 6.810 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.835 6.468 5.877 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.270 5.150 7.818 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.534 7.185 6.884 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.236 6.511 7.834 1.00 0.00 C ATOM 0 H PHE 1 59 -6.018 2.063 3.891 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.042 3.821 3.886 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.654 3.456 5.223 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.305 4.960 4.395 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.596 3.355 6.797 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.277 7.003 5.123 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -8.829 4.614 8.571 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.508 8.265 6.895 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -8.767 7.055 8.601 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.496 15.937 -0.026 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.219 14.923 0.724 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.257 13.798 1.110 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.474 13.104 2.102 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.344 14.316 -0.115 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.386 13.523 0.676 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.709 13.973 1.797 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.835 12.486 0.143 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.644 15.397 1.609 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.851 15.119 -0.651 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.903 13.660 -0.866 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.214 13.652 0.307 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.218 12.622 0.551 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.783 12.644 2.018 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.259 13.467 2.799 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.991 12.820 -0.341 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.391 12.883 -1.816 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.568 13.936 -2.562 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.843 13.857 -4.014 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -3.990 14.265 -4.964 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.803 14.781 -4.619 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.324 14.156 -6.257 1.00 0.00 N ATOM 0 H ARG 2 18 -7.036 14.230 -0.514 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.671 11.659 0.316 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.477 13.739 -0.060 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.288 12.002 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.244 11.907 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.452 13.119 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.813 14.931 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.506 13.779 -2.375 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.738 13.468 -4.310 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.549 14.863 -3.634 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.153 15.092 -5.341 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.228 13.762 -6.519 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.674 14.467 -6.979 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.883 11.730 2.348 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.377 11.633 3.708 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.891 11.996 3.721 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.175 11.657 4.663 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.659 10.240 4.272 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.297 10.168 5.758 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.116 9.840 4.043 1.00 0.00 C ATOM 0 H VAL 2 19 -4.490 11.049 1.698 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.889 12.341 4.359 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.030 9.528 3.738 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.507 9.167 6.136 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.237 10.389 5.885 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.889 10.896 6.312 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.289 8.845 4.454 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.772 10.556 4.538 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.328 9.833 2.974 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.471 12.679 2.666 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.083 13.090 2.545 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.184 12.028 3.177 1.00 0.00 C ATOM 1162 O ASP 2 20 0.094 12.076 4.375 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.835 14.413 3.273 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.579 14.590 3.830 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.455 14.997 3.036 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.751 14.315 5.038 1.00 0.00 O ATOM 0 H ASP 2 20 -3.068 12.958 1.887 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.859 13.213 1.485 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.044 15.233 2.586 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.546 14.497 4.095 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.248 11.091 2.345 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.110 10.017 2.808 1.00 0.00 C ATOM 1173 C CYS 2 21 2.351 10.641 3.450 1.00 0.00 C ATOM 1174 O CYS 2 21 2.907 10.089 4.399 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.476 9.058 1.674 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.482 7.288 2.139 1.00 0.00 S ATOM 0 H CYS 2 21 0.017 11.054 1.352 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.582 9.416 3.548 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.772 9.202 0.854 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.464 9.324 1.297 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.748 11.784 2.908 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.912 12.488 3.417 1.00 0.00 C ATOM 1183 C GLY 2 22 5.140 11.575 3.440 1.00 0.00 C ATOM 1184 O GLY 2 22 5.753 11.378 4.488 1.00 0.00 O ATOM 0 H GLY 2 22 2.284 12.239 2.122 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.115 13.360 2.795 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.708 12.855 4.423 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.462 11.041 2.271 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.604 10.153 2.143 1.00 0.00 C ATOM 1190 C TYR 2 23 7.877 10.940 1.824 1.00 0.00 C ATOM 1191 O TYR 2 23 7.856 11.855 1.003 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.287 9.224 0.969 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.635 7.756 1.226 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.390 7.195 2.463 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.194 6.993 0.220 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.717 5.814 2.704 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.521 5.612 0.462 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.267 5.091 1.692 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.576 3.786 1.921 1.00 0.00 O ATOM 0 H TYR 2 23 4.951 11.207 1.404 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.773 9.610 3.073 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.225 9.300 0.736 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.832 9.567 0.090 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 5.953 7.792 3.250 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.386 7.432 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.530 5.362 3.667 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 7.958 5.004 -0.316 1.00 0.00 H new ATOM 0 HH TYR 2 23 6.959 3.416 2.587 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.984 10.545 2.509 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.263 11.203 2.308 1.00 0.00 C ATOM 1211 C PRO 2 24 10.893 10.782 0.979 1.00 0.00 C ATOM 1212 O PRO 2 24 11.916 11.331 0.571 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.102 10.810 3.514 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.430 9.581 4.106 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.045 9.465 3.490 1.00 0.00 C ATOM 0 HA PRO 2 24 10.172 12.287 2.239 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.129 10.591 3.221 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.144 11.621 4.241 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.017 8.687 3.897 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.359 9.669 5.190 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.902 8.493 3.018 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.266 9.571 4.245 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.258 9.812 0.340 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.742 9.312 -0.934 1.00 0.00 C ATOM 1225 C HIS 2 25 9.653 9.471 -1.997 1.00 0.00 C ATOM 1226 O HIS 2 25 9.669 8.782 -3.016 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.232 7.868 -0.800 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.713 7.696 -1.040 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.429 6.611 -0.566 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.605 8.484 -1.708 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.693 6.750 -0.937 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.800 7.911 -1.644 1.00 0.00 N ATOM 0 H HIS 2 25 9.411 9.358 0.682 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.602 9.899 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.992 7.505 0.199 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.685 7.243 -1.506 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.377 9.416 -2.204 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.498 6.064 -0.718 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.658 8.279 -2.056 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.734 10.384 -1.723 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.640 10.644 -2.643 1.00 0.00 C ATOM 1243 C VAL 2 26 8.172 10.641 -4.077 1.00 0.00 C ATOM 1244 O VAL 2 26 9.080 11.403 -4.407 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.940 11.951 -2.268 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.957 13.030 -1.891 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.028 12.430 -3.400 1.00 0.00 C ATOM 0 H VAL 2 26 8.724 10.953 -0.877 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.889 9.857 -2.574 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.317 11.757 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.432 13.949 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.546 12.693 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.618 13.218 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.543 13.361 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.621 12.597 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.270 11.673 -3.601 1.00 0.00 H new ATOM 1257 N THR 2 27 7.586 9.774 -4.890 1.00 0.00 N ATOM 1258 CA THR 2 27 7.991 9.662 -6.281 1.00 0.00 C ATOM 1259 C THR 2 27 6.981 8.820 -7.064 1.00 0.00 C ATOM 1260 O THR 2 27 6.331 7.942 -6.500 1.00 0.00 O ATOM 1261 CB THR 2 27 9.411 9.096 -6.316 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.198 10.164 -6.836 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.571 7.978 -7.349 1.00 0.00 C ATOM 0 H THR 2 27 6.834 9.143 -4.612 1.00 0.00 H new ATOM 0 HA THR 2 27 8.003 10.636 -6.769 1.00 0.00 H new ATOM 0 HB THR 2 27 9.675 8.718 -5.328 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.147 10.933 -6.230 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.597 7.612 -7.333 1.00 0.00 H new ATOM 0 HG22 THR 2 27 8.890 7.161 -7.109 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.339 8.364 -8.342 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.880 9.126 -8.385 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.961 8.407 -9.251 1.00 0.00 C ATOM 1273 C PRO 2 28 6.495 7.012 -9.580 1.00 0.00 C ATOM 1274 O PRO 2 28 6.540 6.619 -10.744 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.807 9.289 -10.480 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.994 10.236 -10.464 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.633 10.160 -9.087 1.00 0.00 C ATOM 0 HA PRO 2 28 4.994 8.228 -8.781 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.797 8.691 -11.391 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.867 9.840 -10.450 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.714 9.959 -11.234 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.672 11.255 -10.680 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.690 9.903 -9.155 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.570 11.117 -8.568 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.887 6.301 -8.533 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.416 4.958 -8.694 1.00 0.00 C ATOM 1287 C LYS 2 29 7.697 4.355 -7.318 1.00 0.00 C ATOM 1288 O LYS 2 29 7.738 3.135 -7.166 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.633 4.970 -9.622 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.172 3.555 -9.838 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.469 3.301 -11.318 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.635 2.136 -11.853 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.178 2.416 -13.233 1.00 0.00 N ATOM 0 H LYS 2 29 6.849 6.631 -7.569 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.681 4.315 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.359 5.409 -10.581 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.414 5.599 -9.195 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.080 3.415 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.445 2.826 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.255 4.201 -11.895 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.529 3.083 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.227 1.221 -11.838 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 7.774 1.970 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.613 1.615 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.596 3.278 -13.238 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.003 2.552 -13.851 1.00 0.00 H new ATOM 1307 N GLU 2 30 7.885 5.238 -6.347 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.162 4.808 -4.987 1.00 0.00 C ATOM 1309 C GLU 2 30 6.872 4.778 -4.167 1.00 0.00 C ATOM 1310 O GLU 2 30 6.628 3.831 -3.421 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.208 5.710 -4.330 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.562 5.003 -4.238 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.682 5.891 -4.785 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.704 6.079 -6.020 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.491 6.360 -3.956 1.00 0.00 O ATOM 0 H GLU 2 30 7.851 6.249 -6.476 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.571 3.798 -5.022 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.313 6.630 -4.905 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 8.873 5.994 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 10.772 4.745 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.527 4.069 -4.798 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.077 5.825 -4.333 1.00 0.00 N ATOM 1323 CA CYS 2 31 4.816 5.930 -3.619 1.00 0.00 C ATOM 1324 C CYS 2 31 3.930 4.753 -4.032 1.00 0.00 C ATOM 1325 O CYS 2 31 3.479 3.983 -3.184 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.133 7.275 -3.870 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.834 8.681 -2.930 1.00 0.00 S ATOM 0 H CYS 2 31 6.282 6.609 -4.952 1.00 0.00 H new ATOM 0 HA CYS 2 31 4.999 5.886 -2.545 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.191 7.503 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.076 7.181 -3.622 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.706 4.651 -5.333 1.00 0.00 N ATOM 1333 CA ASN 2 32 2.881 3.581 -5.869 1.00 0.00 C ATOM 1334 C ASN 2 32 3.554 2.236 -5.589 1.00 0.00 C ATOM 1335 O ASN 2 32 2.975 1.182 -5.850 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.714 3.721 -7.383 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.492 4.574 -7.724 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.492 5.773 -7.149 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 0.606 4.172 -8.461 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.081 5.292 -6.033 1.00 0.00 H new ATOM 0 HA ASN 2 32 1.903 3.637 -5.392 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.609 4.174 -7.811 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.610 2.734 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.667 3.240 -8.871 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 -0.195 4.768 -8.667 1.00 0.00 H new ATOM 1346 N ASN 2 33 4.766 2.314 -5.061 1.00 0.00 N ATOM 1347 CA ASN 2 33 5.524 1.116 -4.743 1.00 0.00 C ATOM 1348 C ASN 2 33 5.447 0.855 -3.238 1.00 0.00 C ATOM 1349 O ASN 2 33 5.515 -0.292 -2.800 1.00 0.00 O ATOM 1350 CB ASN 2 33 6.998 1.280 -5.120 1.00 0.00 C ATOM 1351 CG ASN 2 33 7.841 0.141 -4.543 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.522 -1.029 -4.671 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 8.932 0.548 -3.900 1.00 0.00 N ATOM 0 H ASN 2 33 5.243 3.190 -4.845 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.098 0.287 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.100 1.299 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.368 2.236 -4.748 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 9.560 -0.136 -3.478 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.141 1.544 -3.829 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.307 1.938 -2.488 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.220 1.840 -1.041 1.00 0.00 C ATOM 1362 C ARG 2 34 3.774 1.581 -0.612 1.00 0.00 C ATOM 1363 O ARG 2 34 3.531 0.937 0.407 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.723 3.120 -0.370 1.00 0.00 C ATOM 1365 CG ARG 2 34 4.601 4.154 -0.253 1.00 0.00 C ATOM 1366 CD ARG 2 34 3.743 3.896 0.986 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.006 4.932 2.009 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.598 4.852 3.283 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 2.907 3.782 3.699 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 3.883 5.841 4.142 1.00 0.00 N ATOM 0 H ARG 2 34 5.252 2.888 -2.855 1.00 0.00 H new ATOM 0 HA ARG 2 34 5.850 1.008 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.112 2.887 0.621 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.548 3.537 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.029 5.155 -0.201 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 3.976 4.120 -1.146 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 2.687 3.901 0.715 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 3.963 2.909 1.392 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.531 5.760 1.727 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 2.692 3.029 3.046 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.596 3.721 4.669 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.411 6.655 3.826 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 3.572 5.780 5.112 1.00 0.00 H new ATOM 1384 N GLY 2 35 2.852 2.098 -1.411 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.437 1.931 -1.127 1.00 0.00 C ATOM 1386 C GLY 2 35 0.718 3.282 -1.113 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.342 3.419 -0.504 1.00 0.00 O ATOM 0 H GLY 2 35 3.057 2.633 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 0.986 1.282 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.311 1.438 -0.163 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.323 4.246 -1.792 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.754 5.580 -1.866 1.00 0.00 C ATOM 1393 C CYS 2 36 0.483 5.906 -3.336 1.00 0.00 C ATOM 1394 O CYS 2 36 0.837 5.131 -4.224 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.664 6.620 -1.209 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.970 6.354 0.575 1.00 0.00 S ATOM 0 H CYS 2 36 2.202 4.129 -2.296 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.183 5.610 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.621 6.626 -1.731 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.221 7.607 -1.344 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.142 7.054 -3.549 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.465 7.493 -4.897 1.00 0.00 C ATOM 1403 C CYS 2 37 0.187 8.858 -5.126 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.019 9.788 -4.348 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.976 7.535 -5.132 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.484 7.407 -6.885 1.00 0.00 S ATOM 0 H CYS 2 37 -0.434 7.694 -2.811 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.072 6.778 -5.619 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.439 6.721 -4.574 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.368 8.466 -4.722 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.781 7.451 -6.965 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.960 8.935 -6.199 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.644 10.171 -6.541 1.00 0.00 C ATOM 1413 C PHE 2 38 0.808 11.009 -7.511 1.00 0.00 C ATOM 1414 O PHE 2 38 0.416 10.528 -8.573 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.958 9.783 -7.223 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.003 10.899 -7.242 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 3.906 11.907 -8.150 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 5.030 10.884 -6.350 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 4.876 12.943 -8.167 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 6.000 11.921 -6.368 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.903 12.928 -7.276 1.00 0.00 C ATOM 0 H PHE 2 38 1.128 8.162 -6.843 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.813 10.764 -5.642 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.377 8.915 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.747 9.479 -8.248 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 3.091 11.919 -8.858 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 5.108 10.084 -5.629 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 4.798 13.743 -8.888 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 6.815 11.910 -5.660 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.641 13.716 -7.290 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.561 12.248 -7.112 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.221 13.157 -7.932 1.00 0.00 C ATOM 1433 C ASP 2 39 0.715 13.924 -8.868 1.00 0.00 C ATOM 1434 O ASP 2 39 0.847 13.578 -10.041 1.00 0.00 O ATOM 1435 CB ASP 2 39 -0.966 14.177 -7.068 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.706 15.265 -7.847 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.694 14.908 -8.523 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.267 16.432 -7.749 1.00 0.00 O ATOM 0 H ASP 2 39 0.889 12.644 -6.231 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.944 12.567 -8.495 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.684 13.646 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.251 14.654 -6.397 1.00 0.00 H new ATOM 1443 N SER 2 40 1.340 14.953 -8.316 1.00 0.00 N ATOM 1444 CA SER 2 40 2.259 15.773 -9.086 1.00 0.00 C ATOM 1445 C SER 2 40 1.492 16.886 -9.803 1.00 0.00 C ATOM 1446 O SER 2 40 2.091 17.854 -10.272 1.00 0.00 O ATOM 1447 CB SER 2 40 3.036 14.927 -10.097 1.00 0.00 C ATOM 1448 OG SER 2 40 4.374 15.388 -10.262 1.00 0.00 O ATOM 0 H SER 2 40 1.228 15.238 -7.343 1.00 0.00 H new ATOM 0 HA SER 2 40 2.977 16.220 -8.399 1.00 0.00 H new ATOM 0 HB2 SER 2 40 3.049 13.888 -9.767 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.523 14.950 -11.059 1.00 0.00 H new ATOM 0 HG SER 2 40 4.837 14.821 -10.914 1.00 0.00 H new ATOM 1454 N ARG 2 41 0.181 16.712 -9.866 1.00 0.00 N ATOM 1455 CA ARG 2 41 -0.674 17.691 -10.517 1.00 0.00 C ATOM 1456 C ARG 2 41 -0.568 19.043 -9.809 1.00 0.00 C ATOM 1457 O ARG 2 41 -0.197 20.042 -10.422 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.133 17.234 -10.517 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.310 15.958 -11.343 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.588 16.021 -12.181 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.258 16.352 -13.586 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.155 16.387 -14.580 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.443 16.112 -14.331 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.765 16.698 -15.824 1.00 0.00 N ATOM 0 H ARG 2 41 -0.311 15.908 -9.477 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.338 17.791 -11.549 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.462 17.057 -9.493 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -2.765 18.024 -10.923 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.449 15.821 -11.997 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.348 15.094 -10.680 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.109 15.064 -12.137 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.264 16.771 -11.771 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.287 16.567 -13.811 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.740 15.876 -13.384 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.126 16.139 -15.088 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.785 16.908 -16.014 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.448 16.725 -16.581 1.00 0.00 H new ATOM 1478 N ILE 2 42 -0.904 19.030 -8.527 1.00 0.00 N ATOM 1479 CA ILE 2 42 -0.852 20.243 -7.729 1.00 0.00 C ATOM 1480 C ILE 2 42 0.301 20.141 -6.727 1.00 0.00 C ATOM 1481 O ILE 2 42 0.379 19.181 -5.961 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.210 20.514 -7.077 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.310 19.679 -7.735 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -2.537 22.008 -7.093 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -4.674 19.977 -7.109 1.00 0.00 C ATOM 0 H ILE 2 42 -1.213 18.199 -8.022 1.00 0.00 H new ATOM 0 HA ILE 2 42 -0.649 21.107 -8.362 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.155 20.208 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.342 19.891 -8.804 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.080 18.619 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.507 22.173 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -1.770 22.554 -6.543 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -2.567 22.363 -8.123 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.438 19.370 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -4.646 19.741 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -4.912 21.033 -7.240 1.00 0.00 H new ATOM 1497 N PRO 2 43 1.188 21.170 -6.766 1.00 0.00 N ATOM 1498 CA PRO 2 43 2.334 21.205 -5.872 1.00 0.00 C ATOM 1499 C PRO 2 43 1.908 21.581 -4.451 1.00 0.00 C ATOM 1500 O PRO 2 43 2.675 21.413 -3.505 1.00 0.00 O ATOM 1501 CB PRO 2 43 3.287 22.212 -6.493 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.449 23.043 -7.451 1.00 0.00 C ATOM 1503 CD PRO 2 43 1.127 22.323 -7.660 1.00 0.00 C ATOM 0 HA PRO 2 43 2.817 20.233 -5.767 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.744 22.840 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 4.098 21.709 -7.019 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 2.280 24.040 -7.044 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.969 23.170 -8.401 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 0.282 22.968 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 1.004 22.013 -8.698 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.686 22.083 -4.347 1.00 0.00 N ATOM 1512 CA GLY 2 44 0.149 22.484 -3.058 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.572 21.318 -2.378 1.00 0.00 C ATOM 1514 O GLY 2 44 -0.934 21.408 -1.205 1.00 0.00 O ATOM 0 H GLY 2 44 0.053 22.221 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.957 22.840 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.542 23.316 -3.191 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.760 20.253 -3.143 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.431 19.072 -2.628 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.400 17.967 -2.390 1.00 0.00 C ATOM 1521 O VAL 2 45 0.753 18.090 -2.800 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.550 18.650 -3.581 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.180 17.366 -4.328 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.875 18.486 -2.833 1.00 0.00 C ATOM 0 H VAL 2 45 -0.459 20.183 -4.115 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.902 19.288 -1.669 1.00 0.00 H new ATOM 0 HB VAL 2 45 -2.677 19.442 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -2.993 17.088 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.272 17.531 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.012 16.563 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.654 18.186 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -3.766 17.723 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -4.150 19.433 -2.369 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.864 16.884 -1.711 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.006 15.758 -1.415 1.00 0.00 C ATOM 1536 C PRO 2 46 0.253 14.911 -2.665 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.671 14.296 -3.194 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.705 14.993 -0.310 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.155 15.450 -0.352 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.223 16.703 -1.210 1.00 0.00 C ATOM 0 HA PRO 2 46 1.000 16.068 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.630 13.917 -0.469 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.257 15.204 0.661 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.790 14.668 -0.768 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.520 15.656 0.654 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.934 16.585 -2.028 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.548 17.565 -0.627 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.504 14.908 -3.100 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.884 14.148 -4.279 1.00 0.00 C ATOM 1550 C TRP 2 47 2.229 12.725 -3.832 1.00 0.00 C ATOM 1551 O TRP 2 47 3.046 12.053 -4.461 1.00 0.00 O ATOM 1552 CB TRP 2 47 3.029 14.832 -5.028 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.347 16.242 -4.524 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.647 17.367 -4.723 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.483 16.632 -3.722 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.247 18.449 -4.111 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.398 17.988 -3.484 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.546 15.864 -3.217 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.345 18.695 -2.734 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.485 16.585 -2.469 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.414 17.952 -2.220 1.00 0.00 C ATOM 0 H TRP 2 47 2.268 15.419 -2.658 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.059 14.101 -4.990 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.924 14.216 -4.943 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.777 14.884 -6.087 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.730 17.420 -5.290 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.908 19.411 -4.118 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.632 14.802 -3.392 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.256 19.757 -2.561 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.323 16.042 -2.057 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 7.180 18.437 -1.633 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.590 12.308 -2.748 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.819 10.978 -2.211 1.00 0.00 C ATOM 1574 C CYS 2 48 0.799 10.728 -1.098 1.00 0.00 C ATOM 1575 O CYS 2 48 0.983 11.180 0.031 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.256 10.807 -1.716 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.757 9.077 -1.391 1.00 0.00 S ATOM 0 H CYS 2 48 0.914 12.868 -2.228 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.686 10.237 -2.999 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.933 11.233 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.381 11.384 -0.800 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.254 10.008 -1.455 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.304 9.692 -0.501 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.691 8.214 -0.581 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.986 7.416 -1.196 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.517 10.546 -0.871 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.565 10.954 -2.345 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.566 11.711 -2.874 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.605 10.558 -3.127 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.611 12.090 -4.241 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.649 10.937 -4.495 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.651 11.695 -5.023 1.00 0.00 C ATOM 0 H PHE 2 49 -0.403 9.634 -2.392 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.959 9.895 0.513 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.425 9.994 -0.628 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.516 11.446 -0.256 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.739 12.023 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.397 9.955 -2.708 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.819 12.692 -4.660 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.475 10.623 -5.116 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.684 11.983 -6.063 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.812 7.894 0.049 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.302 6.526 0.056 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.743 6.503 -0.458 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.667 6.185 0.289 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.135 5.905 1.445 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.783 6.780 2.519 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.744 7.263 3.533 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.890 6.098 4.040 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.903 6.051 5.519 1.00 0.00 N ATOM 0 H LYS 2 50 -3.395 8.558 0.558 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.712 5.906 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.585 4.912 1.460 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.075 5.778 1.665 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.266 7.638 2.051 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.562 6.216 3.032 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -2.103 8.015 3.072 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -3.246 7.743 4.373 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -2.269 5.159 3.637 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.866 6.208 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -1.319 5.255 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.520 6.940 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.879 5.924 5.854 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.893 6.853 -1.763 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.206 6.874 -2.387 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.699 5.455 -2.673 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.198 4.774 -1.777 1.00 0.00 O ATOM 1628 CB PRO 2 51 -6.030 7.708 -3.645 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.536 7.732 -3.924 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.821 7.234 -2.678 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.972 7.307 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.577 7.273 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.417 8.717 -3.502 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.297 7.100 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.210 8.742 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.174 6.387 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.190 8.011 -2.247 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.546 5.051 -3.926 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.970 3.725 -4.342 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.768 2.779 -4.322 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.605 1.956 -5.222 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.679 3.790 -5.696 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.789 3.613 -6.928 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.074 2.281 -7.624 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.933 4.799 -7.883 1.00 0.00 C ATOM 0 H LEU 2 52 -6.134 5.619 -4.666 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.703 3.323 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.451 3.021 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.185 4.752 -5.773 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.751 3.589 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.428 2.181 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.881 1.461 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.117 2.251 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.290 4.648 -8.750 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.970 4.879 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.642 5.716 -7.371 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.954 2.929 -3.286 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.772 2.098 -3.138 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.097 0.644 -3.484 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.205 -0.132 -3.824 1.00 0.00 O ATOM 1661 CB GLN 2 53 -3.197 2.211 -1.725 1.00 0.00 C ATOM 1662 CG GLN 2 53 -3.627 3.519 -1.060 1.00 0.00 C ATOM 1663 CD GLN 2 53 -4.960 3.351 -0.328 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -5.223 3.972 0.689 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -5.785 2.478 -0.901 1.00 0.00 N ATOM 0 H GLN 2 53 -5.090 3.613 -2.542 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.012 2.454 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.532 1.366 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.109 2.161 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.860 3.842 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -3.718 4.301 -1.814 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -5.502 1.992 -1.752 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -6.700 2.295 -0.489 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.377 0.317 -3.384 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.831 -1.030 -3.682 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.047 -1.607 -4.861 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.853 -2.818 -4.951 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.336 -1.053 -3.960 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.132 -0.699 -2.702 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.437 0.014 -3.062 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.383 1.254 -3.213 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -10.459 -0.697 -3.177 1.00 0.00 O ATOM 0 H GLU 2 54 -6.114 0.962 -3.101 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.647 -1.655 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.573 -0.347 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.629 -2.042 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.352 -1.606 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.531 -0.060 -2.055 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.616 -0.710 -5.738 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.856 -1.115 -6.909 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.065 -2.384 -6.585 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.259 -3.419 -7.219 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.954 0.037 -7.355 1.00 0.00 C ATOM 0 H ALA 2 55 -4.779 0.294 -5.661 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.524 -1.346 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.384 -0.266 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.567 0.904 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.268 0.295 -6.548 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.190 -2.261 -5.598 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.368 -3.385 -5.182 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.044 -3.283 -3.691 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.067 -3.865 -3.223 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.088 -3.468 -6.018 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.834 -2.282 -5.726 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.266 -1.592 -7.021 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.467 -0.771 -7.521 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 2.385 -1.901 -7.483 1.00 0.00 O ATOM 0 H GLU 2 56 -2.032 -1.400 -5.074 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.931 -4.303 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.433 -4.401 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 -0.342 -3.484 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.321 -1.567 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 1.714 -2.626 -5.182 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.883 -2.539 -2.986 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.698 -2.353 -1.556 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.626 -3.321 -0.822 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.178 -4.097 0.021 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.941 -0.901 -1.139 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.664 -0.195 -0.033 1.00 0.00 S ATOM 0 H CYS 2 57 -2.693 -2.058 -3.378 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.664 -2.570 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.004 -0.286 -2.037 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.908 -0.838 -0.640 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.903 -3.244 -1.167 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.898 -4.104 -0.551 1.00 0.00 C ATOM 1726 C THR 2 58 -4.723 -5.548 -1.025 1.00 0.00 C ATOM 1727 O THR 2 58 -4.886 -6.485 -0.246 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.280 -3.526 -0.864 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.051 -3.825 0.297 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.991 -4.282 -1.988 1.00 0.00 C ATOM 0 H THR 2 58 -4.271 -2.599 -1.866 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.779 -4.134 0.532 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.180 -2.476 -1.140 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.982 -3.556 0.150 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.967 -3.831 -2.170 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.392 -4.230 -2.897 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -7.122 -5.325 -1.699 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.391 -5.682 -2.301 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.191 -6.997 -2.888 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.623 -7.976 -1.859 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.819 -8.841 -2.200 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.184 -6.829 -4.026 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.707 -7.278 -5.392 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.850 -6.739 -5.894 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.029 -8.217 -6.105 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.336 -7.156 -7.161 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.514 -8.635 -7.372 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.657 -8.095 -7.874 1.00 0.00 C ATOM 0 H PHE 2 59 -4.256 -4.902 -2.945 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.142 -7.396 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.892 -5.781 -4.087 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.285 -7.397 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.389 -5.993 -5.328 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.121 -8.645 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.244 -6.728 -7.559 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.976 -9.381 -7.937 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.026 -8.412 -8.839 1.00 0.00 H new