USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=10 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= -1.42! USER MOD Single : 1 25 HIS : no HD1:sc= -0.891 X(o=-0.89,f=-0.58) USER MOD Single : 1 27 THR OG1 : rot 60:sc= 0.0171 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.87 K(o=-2.9,f=-0.42) USER MOD Single : 1 33 ASN : amide:sc= -0.0697 X(o=-0.07,f=-0.064) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.306 USER MOD Single : 1 40 SER OG : rot 113:sc= 0.479 USER MOD Single : 1 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 53 GLN : amide:sc= -12.2! C(o=-12!,f=-19!) USER MOD Single : 1 58 THR OG1 : rot -130:sc= -0.218 USER MOD Single : 2 23 TYR OH : rot 35:sc= -1.49! USER MOD Single : 2 25 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.3) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.147 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.85 K(o=-1.9,f=-0.34) USER MOD Single : 2 33 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.021) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0301 USER MOD Single : 2 40 SER OG : rot 114:sc= 0.667 USER MOD Single : 2 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 53 GLN : amide:sc= -16.6! C(o=-17!,f=-25!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.49! USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.510 -16.219 -2.650 1.00 0.00 N ATOM 229 CA ASP 1 17 1.563 -15.491 -3.477 1.00 0.00 C ATOM 230 C ASP 1 17 1.661 -13.997 -3.164 1.00 0.00 C ATOM 231 O ASP 1 17 0.755 -13.230 -3.486 1.00 0.00 O ATOM 232 CB ASP 1 17 0.127 -15.940 -3.196 1.00 0.00 C ATOM 233 CG ASP 1 17 -0.902 -15.510 -4.244 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.465 -15.197 -5.372 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.101 -15.503 -3.891 1.00 0.00 O ATOM 0 HA ASP 1 17 1.805 -15.690 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.111 -17.027 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.178 -15.546 -2.226 1.00 0.00 H new ATOM 240 N ARG 1 18 2.770 -13.628 -2.540 1.00 0.00 N ATOM 241 CA ARG 1 18 2.999 -12.239 -2.179 1.00 0.00 C ATOM 242 C ARG 1 18 3.649 -11.488 -3.344 1.00 0.00 C ATOM 243 O ARG 1 18 4.012 -12.093 -4.352 1.00 0.00 O ATOM 244 CB ARG 1 18 3.899 -12.131 -0.947 1.00 0.00 C ATOM 245 CG ARG 1 18 3.316 -12.919 0.228 1.00 0.00 C ATOM 246 CD ARG 1 18 4.427 -13.553 1.068 1.00 0.00 C ATOM 247 NE ARG 1 18 3.882 -14.014 2.364 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.634 -14.313 3.431 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.967 -14.201 3.364 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.052 -14.723 4.567 1.00 0.00 N ATOM 0 H ARG 1 18 3.520 -14.267 -2.275 1.00 0.00 H new ATOM 0 HA ARG 1 18 2.032 -11.793 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.894 -12.508 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 4.014 -11.084 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.716 -12.257 0.852 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.649 -13.696 -0.146 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.867 -14.393 0.530 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.225 -12.829 1.236 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.870 -14.110 2.450 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.410 -13.888 2.500 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.539 -14.429 4.177 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.037 -14.807 4.618 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.624 -14.951 5.380 1.00 0.00 H new ATOM 264 N VAL 1 19 3.775 -10.181 -3.167 1.00 0.00 N ATOM 265 CA VAL 1 19 4.374 -9.342 -4.190 1.00 0.00 C ATOM 266 C VAL 1 19 5.801 -8.977 -3.773 1.00 0.00 C ATOM 267 O VAL 1 19 6.369 -8.007 -4.275 1.00 0.00 O ATOM 268 CB VAL 1 19 3.494 -8.117 -4.444 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.891 -7.417 -5.745 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.012 -8.499 -4.457 1.00 0.00 C ATOM 0 H VAL 1 19 3.472 -9.683 -2.330 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.439 -9.880 -5.136 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.652 -7.416 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.250 -6.550 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.930 -7.094 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.776 -8.108 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.409 -7.610 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.831 -9.228 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.739 -8.931 -3.494 1.00 0.00 H new ATOM 280 N ASP 1 20 6.338 -9.772 -2.860 1.00 0.00 N ATOM 281 CA ASP 1 20 7.687 -9.546 -2.371 1.00 0.00 C ATOM 282 C ASP 1 20 7.995 -8.047 -2.412 1.00 0.00 C ATOM 283 O ASP 1 20 8.490 -7.539 -3.417 1.00 0.00 O ATOM 284 CB ASP 1 20 8.718 -10.264 -3.243 1.00 0.00 C ATOM 285 CG ASP 1 20 10.110 -9.627 -3.257 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.545 -9.192 -2.170 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.705 -9.590 -4.356 1.00 0.00 O ATOM 0 H ASP 1 20 5.863 -10.574 -2.446 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.745 -9.932 -1.353 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.810 -11.294 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.343 -10.303 -4.266 1.00 0.00 H new ATOM 292 N CYS 1 21 7.689 -7.382 -1.308 1.00 0.00 N ATOM 293 CA CYS 1 21 7.926 -5.952 -1.206 1.00 0.00 C ATOM 294 C CYS 1 21 9.390 -5.682 -1.559 1.00 0.00 C ATOM 295 O CYS 1 21 9.709 -4.654 -2.153 1.00 0.00 O ATOM 296 CB CYS 1 21 7.565 -5.417 0.182 1.00 0.00 C ATOM 297 SG CYS 1 21 6.616 -3.853 0.177 1.00 0.00 S ATOM 0 H CYS 1 21 7.279 -7.807 -0.476 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.281 -5.422 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.986 -6.175 0.709 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.484 -5.266 0.748 1.00 0.00 H new ATOM 302 N GLY 1 22 10.241 -6.622 -1.176 1.00 0.00 N ATOM 303 CA GLY 1 22 11.663 -6.498 -1.445 1.00 0.00 C ATOM 304 C GLY 1 22 12.220 -5.200 -0.860 1.00 0.00 C ATOM 305 O GLY 1 22 12.819 -4.399 -1.578 1.00 0.00 O ATOM 0 H GLY 1 22 9.973 -7.473 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.193 -7.350 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.837 -6.520 -2.521 1.00 0.00 H new ATOM 309 N TYR 1 23 12.005 -5.030 0.435 1.00 0.00 N ATOM 310 CA TYR 1 23 12.478 -3.841 1.124 1.00 0.00 C ATOM 311 C TYR 1 23 13.899 -4.045 1.655 1.00 0.00 C ATOM 312 O TYR 1 23 14.245 -5.132 2.114 1.00 0.00 O ATOM 313 CB TYR 1 23 11.530 -3.634 2.307 1.00 0.00 C ATOM 314 CG TYR 1 23 11.096 -2.181 2.509 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.660 -1.435 1.433 1.00 0.00 C ATOM 316 CD2 TYR 1 23 11.141 -1.616 3.768 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.252 -0.067 1.624 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.733 -0.248 3.958 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.309 0.458 2.876 1.00 0.00 C ATOM 320 OH TYR 1 23 9.923 1.750 3.056 1.00 0.00 O ATOM 0 H TYR 1 23 11.509 -5.696 1.027 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.495 -2.986 0.448 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.643 -4.250 2.161 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.017 -3.987 3.216 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.625 -1.877 0.448 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.482 -2.200 4.610 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.908 0.528 0.791 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.763 0.207 4.937 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.237 1.981 2.396 1.00 0.00 H new ATOM 330 N PRO 1 24 14.704 -2.952 1.572 1.00 0.00 N ATOM 331 CA PRO 1 24 16.080 -2.999 2.038 1.00 0.00 C ATOM 332 C PRO 1 24 16.142 -2.973 3.566 1.00 0.00 C ATOM 333 O PRO 1 24 17.201 -3.192 4.152 1.00 0.00 O ATOM 334 CB PRO 1 24 16.755 -1.799 1.394 1.00 0.00 C ATOM 335 CG PRO 1 24 15.632 -0.868 0.969 1.00 0.00 C ATOM 336 CD PRO 1 24 14.329 -1.648 1.034 1.00 0.00 C ATOM 0 HA PRO 1 24 16.588 -3.922 1.758 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.427 -1.305 2.096 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.356 -2.102 0.537 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.589 0.002 1.624 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.805 -0.498 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.601 -1.150 1.674 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.874 -1.742 0.048 1.00 0.00 H new ATOM 344 N HIS 1 25 14.994 -2.701 4.168 1.00 0.00 N ATOM 345 CA HIS 1 25 14.904 -2.641 5.618 1.00 0.00 C ATOM 346 C HIS 1 25 13.781 -3.560 6.100 1.00 0.00 C ATOM 347 O HIS 1 25 13.066 -3.229 7.045 1.00 0.00 O ATOM 348 CB HIS 1 25 14.735 -1.197 6.093 1.00 0.00 C ATOM 349 CG HIS 1 25 15.960 -0.624 6.766 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.285 0.720 6.713 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.933 -1.227 7.508 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.406 0.907 7.394 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.806 -0.301 7.886 1.00 0.00 N ATOM 0 H HIS 1 25 14.118 -2.520 3.679 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.834 -2.999 6.059 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.477 -0.572 5.238 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.896 -1.150 6.787 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.984 -2.279 7.747 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.914 1.850 7.535 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.639 -0.466 8.451 1.00 0.00 H new ATOM 362 N VAL 1 26 13.659 -4.697 5.430 1.00 0.00 N ATOM 363 CA VAL 1 26 12.635 -5.667 5.779 1.00 0.00 C ATOM 364 C VAL 1 26 12.783 -6.051 7.252 1.00 0.00 C ATOM 365 O VAL 1 26 13.811 -6.592 7.655 1.00 0.00 O ATOM 366 CB VAL 1 26 12.709 -6.869 4.836 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.163 -7.253 4.550 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.929 -8.057 5.401 1.00 0.00 C ATOM 0 H VAL 1 26 14.253 -4.968 4.647 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.642 -5.235 5.655 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.246 -6.583 3.891 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.187 -8.110 3.877 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.677 -6.412 4.085 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.662 -7.511 5.484 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.998 -8.898 4.711 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.349 -8.343 6.365 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.883 -7.778 5.530 1.00 0.00 H new ATOM 378 N THR 1 27 11.741 -5.757 8.015 1.00 0.00 N ATOM 379 CA THR 1 27 11.743 -6.066 9.435 1.00 0.00 C ATOM 380 C THR 1 27 10.334 -5.924 10.014 1.00 0.00 C ATOM 381 O THR 1 27 9.521 -5.160 9.496 1.00 0.00 O ATOM 382 CB THR 1 27 12.773 -5.161 10.115 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.713 -6.070 10.682 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.196 -4.421 11.323 1.00 0.00 C ATOM 0 H THR 1 27 10.890 -5.308 7.677 1.00 0.00 H new ATOM 0 HA THR 1 27 12.031 -7.102 9.613 1.00 0.00 H new ATOM 0 HB THR 1 27 13.152 -4.437 9.393 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.112 -6.614 9.971 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.968 -3.793 11.768 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.361 -3.797 11.003 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.847 -5.144 12.060 1.00 0.00 H new ATOM 392 N PRO 1 28 10.082 -6.691 11.108 1.00 0.00 N ATOM 393 CA PRO 1 28 8.786 -6.658 11.763 1.00 0.00 C ATOM 394 C PRO 1 28 8.616 -5.376 12.581 1.00 0.00 C ATOM 395 O PRO 1 28 8.406 -5.430 13.791 1.00 0.00 O ATOM 396 CB PRO 1 28 8.743 -7.916 12.615 1.00 0.00 C ATOM 397 CG PRO 1 28 10.187 -8.364 12.770 1.00 0.00 C ATOM 398 CD PRO 1 28 11.022 -7.607 11.749 1.00 0.00 C ATOM 0 HA PRO 1 28 7.958 -6.644 11.054 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.290 -7.715 13.586 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.143 -8.691 12.138 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.543 -8.162 13.780 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.272 -9.439 12.611 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.838 -7.066 12.228 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.471 -8.285 11.024 1.00 0.00 H new ATOM 406 N LYS 1 29 8.715 -4.252 11.885 1.00 0.00 N ATOM 407 CA LYS 1 29 8.575 -2.957 12.532 1.00 0.00 C ATOM 408 C LYS 1 29 8.768 -1.851 11.493 1.00 0.00 C ATOM 409 O LYS 1 29 8.241 -0.750 11.649 1.00 0.00 O ATOM 410 CB LYS 1 29 9.524 -2.851 13.727 1.00 0.00 C ATOM 411 CG LYS 1 29 9.373 -1.499 14.428 1.00 0.00 C ATOM 412 CD LYS 1 29 9.350 -1.670 15.949 1.00 0.00 C ATOM 413 CE LYS 1 29 8.030 -2.290 16.411 1.00 0.00 C ATOM 414 NZ LYS 1 29 8.228 -3.054 17.663 1.00 0.00 N ATOM 0 H LYS 1 29 8.890 -4.211 10.881 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.571 -2.840 12.940 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.318 -3.656 14.433 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.553 -2.978 13.391 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.197 -0.844 14.144 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.453 -1.015 14.099 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 10.181 -2.302 16.260 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.489 -0.702 16.430 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.289 -1.507 16.569 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.638 -2.947 15.635 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.323 -3.469 17.964 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.920 -3.813 17.501 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.581 -2.418 18.406 1.00 0.00 H new ATOM 428 N GLU 1 30 9.523 -2.181 10.456 1.00 0.00 N ATOM 429 CA GLU 1 30 9.792 -1.228 9.392 1.00 0.00 C ATOM 430 C GLU 1 30 8.833 -1.456 8.222 1.00 0.00 C ATOM 431 O GLU 1 30 8.259 -0.507 7.691 1.00 0.00 O ATOM 432 CB GLU 1 30 11.248 -1.314 8.934 1.00 0.00 C ATOM 433 CG GLU 1 30 12.043 -0.092 9.398 1.00 0.00 C ATOM 434 CD GLU 1 30 13.457 -0.487 9.824 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.148 -1.112 8.991 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.817 -0.155 10.975 1.00 0.00 O ATOM 0 H GLU 1 30 9.957 -3.095 10.329 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.628 -0.223 9.780 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.704 -2.221 9.330 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.287 -1.386 7.847 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.093 0.641 8.592 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.528 0.386 10.232 1.00 0.00 H new ATOM 443 N CYS 1 31 8.691 -2.721 7.853 1.00 0.00 N ATOM 444 CA CYS 1 31 7.812 -3.086 6.755 1.00 0.00 C ATOM 445 C CYS 1 31 6.378 -2.723 7.146 1.00 0.00 C ATOM 446 O CYS 1 31 5.712 -1.964 6.443 1.00 0.00 O ATOM 447 CB CYS 1 31 7.948 -4.565 6.390 1.00 0.00 C ATOM 448 SG CYS 1 31 9.255 -4.936 5.164 1.00 0.00 S ATOM 0 H CYS 1 31 9.170 -3.506 8.295 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.094 -2.532 5.860 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.150 -5.132 7.299 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.993 -4.918 6.000 1.00 0.00 H new ATOM 453 N ASN 1 32 5.945 -3.283 8.266 1.00 0.00 N ATOM 454 CA ASN 1 32 4.601 -3.029 8.759 1.00 0.00 C ATOM 455 C ASN 1 32 4.446 -1.536 9.055 1.00 0.00 C ATOM 456 O ASN 1 32 3.349 -1.071 9.361 1.00 0.00 O ATOM 457 CB ASN 1 32 4.336 -3.798 10.054 1.00 0.00 C ATOM 458 CG ASN 1 32 3.607 -5.114 9.770 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.507 -5.358 10.240 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.279 -5.945 8.978 1.00 0.00 N ATOM 0 H ASN 1 32 6.501 -3.912 8.846 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.894 -3.354 7.996 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.280 -4.002 10.560 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.739 -3.185 10.729 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.878 -6.849 8.730 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.196 -5.678 8.619 1.00 0.00 H new ATOM 467 N ASN 1 33 5.561 -0.826 8.955 1.00 0.00 N ATOM 468 CA ASN 1 33 5.562 0.605 9.209 1.00 0.00 C ATOM 469 C ASN 1 33 5.683 1.354 7.881 1.00 0.00 C ATOM 470 O ASN 1 33 5.247 2.499 7.769 1.00 0.00 O ATOM 471 CB ASN 1 33 6.749 1.007 10.088 1.00 0.00 C ATOM 472 CG ASN 1 33 6.868 2.529 10.184 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.992 3.216 10.684 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.999 3.016 9.682 1.00 0.00 N ATOM 0 H ASN 1 33 6.469 -1.215 8.702 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.633 0.858 9.719 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.627 0.584 11.085 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.669 0.592 9.676 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.175 4.021 9.701 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.691 2.385 9.278 1.00 0.00 H new ATOM 481 N ARG 1 34 6.274 0.677 6.908 1.00 0.00 N ATOM 482 CA ARG 1 34 6.458 1.265 5.591 1.00 0.00 C ATOM 483 C ARG 1 34 5.232 0.997 4.716 1.00 0.00 C ATOM 484 O ARG 1 34 4.948 1.754 3.790 1.00 0.00 O ATOM 485 CB ARG 1 34 7.701 0.698 4.904 1.00 0.00 C ATOM 486 CG ARG 1 34 7.335 -0.466 3.980 1.00 0.00 C ATOM 487 CD ARG 1 34 7.085 0.025 2.553 1.00 0.00 C ATOM 488 NE ARG 1 34 5.802 -0.515 2.049 1.00 0.00 N ATOM 489 CZ ARG 1 34 5.550 -0.768 0.758 1.00 0.00 C ATOM 490 NH1 ARG 1 34 6.488 -0.532 -0.168 1.00 0.00 N ATOM 491 NH2 ARG 1 34 4.356 -1.257 0.393 1.00 0.00 N ATOM 0 H ARG 1 34 6.632 -0.273 7.005 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.588 2.339 5.721 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 8.193 1.483 4.329 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.414 0.360 5.656 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.139 -1.202 3.980 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.444 -0.968 4.357 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 7.063 1.115 2.533 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 7.902 -0.289 1.903 1.00 0.00 H new ATOM 0 HE ARG 1 34 5.064 -0.706 2.727 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 7.396 -0.159 0.109 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 6.295 -0.725 -1.151 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 3.641 -1.436 1.098 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 4.163 -1.450 -0.590 1.00 0.00 H new ATOM 505 N GLY 1 35 4.538 -0.084 5.040 1.00 0.00 N ATOM 506 CA GLY 1 35 3.349 -0.462 4.295 1.00 0.00 C ATOM 507 C GLY 1 35 3.473 -1.886 3.750 1.00 0.00 C ATOM 508 O GLY 1 35 2.794 -2.248 2.790 1.00 0.00 O ATOM 0 H GLY 1 35 4.776 -0.710 5.809 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.473 -0.391 4.940 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.195 0.235 3.471 1.00 0.00 H new ATOM 512 N CYS 1 36 4.345 -2.655 4.386 1.00 0.00 N ATOM 513 CA CYS 1 36 4.566 -4.032 3.977 1.00 0.00 C ATOM 514 C CYS 1 36 4.224 -4.944 5.157 1.00 0.00 C ATOM 515 O CYS 1 36 3.943 -4.466 6.254 1.00 0.00 O ATOM 516 CB CYS 1 36 5.997 -4.252 3.482 1.00 0.00 C ATOM 517 SG CYS 1 36 6.436 -3.320 1.970 1.00 0.00 S ATOM 0 H CYS 1 36 4.907 -2.351 5.181 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.919 -4.272 3.134 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.689 -3.974 4.277 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 6.141 -5.315 3.291 1.00 0.00 H new ATOM 522 N CYS 1 37 4.258 -6.242 4.889 1.00 0.00 N ATOM 523 CA CYS 1 37 3.956 -7.225 5.915 1.00 0.00 C ATOM 524 C CYS 1 37 5.171 -8.140 6.078 1.00 0.00 C ATOM 525 O CYS 1 37 5.612 -8.766 5.116 1.00 0.00 O ATOM 526 CB CYS 1 37 2.687 -8.015 5.585 1.00 0.00 C ATOM 527 SG CYS 1 37 1.833 -8.736 7.034 1.00 0.00 S ATOM 0 H CYS 1 37 4.490 -6.635 3.977 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.755 -6.718 6.859 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.993 -7.358 5.062 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.945 -8.819 4.896 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.774 -9.379 6.638 1.00 0.00 H new ATOM 532 N PHE 1 38 5.676 -8.187 7.301 1.00 0.00 N ATOM 533 CA PHE 1 38 6.833 -9.014 7.602 1.00 0.00 C ATOM 534 C PHE 1 38 6.404 -10.416 8.041 1.00 0.00 C ATOM 535 O PHE 1 38 5.671 -10.567 9.018 1.00 0.00 O ATOM 536 CB PHE 1 38 7.580 -8.338 8.752 1.00 0.00 C ATOM 537 CG PHE 1 38 8.897 -9.022 9.126 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.026 -8.757 8.416 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.938 -9.893 10.170 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.248 -9.392 8.763 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.159 -10.528 10.517 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.289 -10.263 9.806 1.00 0.00 C ATOM 0 H PHE 1 38 5.306 -7.666 8.096 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.459 -9.115 6.716 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.785 -7.303 8.480 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.933 -8.315 9.629 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.993 -8.064 7.588 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.041 -10.101 10.735 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.145 -9.183 8.198 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.191 -11.221 11.345 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.219 -10.745 10.071 1.00 0.00 H new ATOM 552 N ASP 1 39 6.880 -11.405 7.300 1.00 0.00 N ATOM 553 CA ASP 1 39 6.555 -12.790 7.601 1.00 0.00 C ATOM 554 C ASP 1 39 7.602 -13.357 8.562 1.00 0.00 C ATOM 555 O ASP 1 39 7.395 -13.370 9.774 1.00 0.00 O ATOM 556 CB ASP 1 39 6.563 -13.646 6.333 1.00 0.00 C ATOM 557 CG ASP 1 39 6.493 -15.155 6.573 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.406 -15.615 6.983 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.528 -15.815 6.338 1.00 0.00 O ATOM 0 H ASP 1 39 7.488 -11.276 6.492 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.560 -12.814 8.045 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.719 -13.353 5.709 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.469 -13.424 5.768 1.00 0.00 H new ATOM 564 N SER 1 40 8.704 -13.812 7.983 1.00 0.00 N ATOM 565 CA SER 1 40 9.784 -14.378 8.773 1.00 0.00 C ATOM 566 C SER 1 40 9.562 -15.881 8.959 1.00 0.00 C ATOM 567 O SER 1 40 10.493 -16.612 9.296 1.00 0.00 O ATOM 568 CB SER 1 40 9.895 -13.685 10.133 1.00 0.00 C ATOM 569 OG SER 1 40 11.250 -13.555 10.556 1.00 0.00 O ATOM 0 H SER 1 40 8.872 -13.800 6.977 1.00 0.00 H new ATOM 0 HA SER 1 40 10.720 -14.218 8.238 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.437 -12.698 10.075 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.336 -14.253 10.876 1.00 0.00 H new ATOM 0 HG SER 1 40 11.503 -12.608 10.558 1.00 0.00 H new ATOM 575 N ARG 1 41 8.324 -16.297 8.734 1.00 0.00 N ATOM 576 CA ARG 1 41 7.969 -17.699 8.873 1.00 0.00 C ATOM 577 C ARG 1 41 8.789 -18.553 7.904 1.00 0.00 C ATOM 578 O ARG 1 41 9.310 -19.601 8.282 1.00 0.00 O ATOM 579 CB ARG 1 41 6.480 -17.918 8.602 1.00 0.00 C ATOM 580 CG ARG 1 41 5.620 -17.156 9.612 1.00 0.00 C ATOM 581 CD ARG 1 41 4.357 -17.945 9.962 1.00 0.00 C ATOM 582 NE ARG 1 41 4.650 -18.919 11.037 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.759 -18.596 12.333 1.00 0.00 C ATOM 584 NH1 ARG 1 41 4.601 -17.323 12.723 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.027 -19.545 13.240 1.00 0.00 N ATOM 0 H ARG 1 41 7.555 -15.688 8.456 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.188 -17.997 9.898 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.238 -17.588 7.592 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.250 -18.982 8.653 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.197 -16.967 10.517 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.344 -16.185 9.201 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.569 -17.263 10.283 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.987 -18.466 9.079 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.777 -19.897 10.775 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.398 -16.600 12.033 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 4.684 -17.078 13.710 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.148 -20.514 12.944 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 5.110 -19.299 14.226 1.00 0.00 H new ATOM 599 N ILE 1 42 8.878 -18.073 6.671 1.00 0.00 N ATOM 600 CA ILE 1 42 9.625 -18.780 5.645 1.00 0.00 C ATOM 601 C ILE 1 42 10.740 -17.874 5.117 1.00 0.00 C ATOM 602 O ILE 1 42 10.469 -16.851 4.491 1.00 0.00 O ATOM 603 CB ILE 1 42 8.683 -19.294 4.555 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.246 -19.388 5.071 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.177 -20.627 3.988 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.344 -20.095 4.057 1.00 0.00 C ATOM 0 H ILE 1 42 8.445 -17.203 6.360 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.104 -19.665 6.064 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.684 -18.575 3.736 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.230 -19.930 6.017 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.861 -18.388 5.270 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.490 -20.971 3.215 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.170 -20.494 3.558 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.224 -21.367 4.787 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.328 -20.148 4.449 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.343 -19.538 3.120 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.718 -21.103 3.879 1.00 0.00 H new ATOM 618 N PRO 1 43 12.002 -18.294 5.398 1.00 0.00 N ATOM 619 CA PRO 1 43 13.159 -17.532 4.959 1.00 0.00 C ATOM 620 C PRO 1 43 13.396 -17.711 3.458 1.00 0.00 C ATOM 621 O PRO 1 43 14.248 -17.042 2.876 1.00 0.00 O ATOM 622 CB PRO 1 43 14.312 -18.044 5.807 1.00 0.00 C ATOM 623 CG PRO 1 43 13.861 -19.386 6.357 1.00 0.00 C ATOM 624 CD PRO 1 43 12.361 -19.500 6.137 1.00 0.00 C ATOM 0 HA PRO 1 43 13.030 -16.458 5.092 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.218 -18.151 5.211 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.542 -17.349 6.614 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.383 -20.200 5.854 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.098 -19.463 7.418 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.111 -20.399 5.574 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.825 -19.558 7.084 1.00 0.00 H new ATOM 632 N GLY 1 44 12.626 -18.618 2.874 1.00 0.00 N ATOM 633 CA GLY 1 44 12.741 -18.893 1.452 1.00 0.00 C ATOM 634 C GLY 1 44 11.746 -18.054 0.649 1.00 0.00 C ATOM 635 O GLY 1 44 11.748 -18.091 -0.581 1.00 0.00 O ATOM 0 H GLY 1 44 11.920 -19.172 3.360 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.756 -18.679 1.118 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.561 -19.952 1.267 1.00 0.00 H new ATOM 639 N VAL 1 45 10.921 -17.316 1.376 1.00 0.00 N ATOM 640 CA VAL 1 45 9.923 -16.468 0.746 1.00 0.00 C ATOM 641 C VAL 1 45 10.168 -15.012 1.149 1.00 0.00 C ATOM 642 O VAL 1 45 11.106 -14.720 1.888 1.00 0.00 O ATOM 643 CB VAL 1 45 8.518 -16.959 1.103 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.483 -18.484 1.219 1.00 0.00 C ATOM 645 CG2 VAL 1 45 8.019 -16.301 2.391 1.00 0.00 C ATOM 0 H VAL 1 45 10.923 -17.287 2.396 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.006 -16.523 -0.339 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.846 -16.669 0.295 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.473 -18.806 1.473 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.777 -18.928 0.268 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.174 -18.806 1.998 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 7.019 -16.667 2.623 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.694 -16.547 3.211 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.988 -15.219 2.259 1.00 0.00 H new ATOM 655 N PRO 1 46 9.285 -14.117 0.633 1.00 0.00 N ATOM 656 CA PRO 1 46 9.397 -12.699 0.931 1.00 0.00 C ATOM 657 C PRO 1 46 8.922 -12.399 2.354 1.00 0.00 C ATOM 658 O PRO 1 46 7.757 -12.618 2.683 1.00 0.00 O ATOM 659 CB PRO 1 46 8.560 -12.007 -0.132 1.00 0.00 C ATOM 660 CG PRO 1 46 7.641 -13.075 -0.702 1.00 0.00 C ATOM 661 CD PRO 1 46 8.161 -14.428 -0.245 1.00 0.00 C ATOM 0 HA PRO 1 46 10.427 -12.343 0.903 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.985 -11.186 0.297 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.193 -11.581 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.618 -12.923 -0.357 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.622 -13.021 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.391 -14.990 0.282 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.477 -15.037 -1.092 1.00 0.00 H new ATOM 669 N TRP 1 47 9.847 -11.903 3.161 1.00 0.00 N ATOM 670 CA TRP 1 47 9.537 -11.570 4.541 1.00 0.00 C ATOM 671 C TRP 1 47 9.099 -10.105 4.587 1.00 0.00 C ATOM 672 O TRP 1 47 9.268 -9.435 5.606 1.00 0.00 O ATOM 673 CB TRP 1 47 10.727 -11.868 5.456 1.00 0.00 C ATOM 674 CG TRP 1 47 11.829 -12.699 4.796 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.821 -14.010 4.519 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.110 -12.216 4.336 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.998 -14.406 3.917 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.806 -13.282 3.803 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.661 -10.925 4.370 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.093 -13.163 3.263 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.948 -10.822 3.827 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.662 -11.885 3.286 1.00 0.00 C ATOM 0 H TRP 1 47 10.813 -11.723 2.886 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.721 -12.188 4.914 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.153 -10.925 5.798 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.369 -12.396 6.340 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.997 -14.673 4.739 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.232 -15.351 3.612 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.134 -10.078 4.783 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.618 -14.012 2.851 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.418 -9.850 3.829 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.652 -11.725 2.885 1.00 0.00 H new ATOM 693 N CYS 1 48 8.544 -9.652 3.474 1.00 0.00 N ATOM 694 CA CYS 1 48 8.080 -8.278 3.375 1.00 0.00 C ATOM 695 C CYS 1 48 7.295 -8.129 2.070 1.00 0.00 C ATOM 696 O CYS 1 48 7.878 -8.128 0.987 1.00 0.00 O ATOM 697 CB CYS 1 48 9.238 -7.282 3.461 1.00 0.00 C ATOM 698 SG CYS 1 48 8.737 -5.522 3.483 1.00 0.00 S ATOM 0 H CYS 1 48 8.405 -10.211 2.632 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.428 -8.050 4.218 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.814 -7.493 4.362 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.903 -7.445 2.613 1.00 0.00 H new ATOM 703 N PHE 1 49 5.984 -8.006 2.217 1.00 0.00 N ATOM 704 CA PHE 1 49 5.113 -7.857 1.063 1.00 0.00 C ATOM 705 C PHE 1 49 3.974 -6.879 1.360 1.00 0.00 C ATOM 706 O PHE 1 49 3.987 -6.196 2.382 1.00 0.00 O ATOM 707 CB PHE 1 49 4.520 -9.237 0.768 1.00 0.00 C ATOM 708 CG PHE 1 49 4.401 -10.138 1.999 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.522 -10.598 2.616 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.174 -10.480 2.475 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.411 -11.435 3.758 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.063 -11.317 3.617 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.184 -11.777 4.234 1.00 0.00 C ATOM 0 H PHE 1 49 5.504 -8.006 3.117 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.680 -7.469 0.217 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.532 -9.110 0.326 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.140 -9.736 0.023 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.497 -10.327 2.238 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.284 -10.115 1.985 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.301 -11.800 4.248 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.088 -11.588 3.995 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.100 -12.414 5.102 1.00 0.00 H new ATOM 723 N LYS 1 50 3.016 -6.842 0.444 1.00 0.00 N ATOM 724 CA LYS 1 50 1.872 -5.958 0.594 1.00 0.00 C ATOM 725 C LYS 1 50 0.587 -6.789 0.591 1.00 0.00 C ATOM 726 O LYS 1 50 -0.197 -6.722 -0.354 1.00 0.00 O ATOM 727 CB LYS 1 50 1.898 -4.862 -0.472 1.00 0.00 C ATOM 728 CG LYS 1 50 2.094 -5.460 -1.868 1.00 0.00 C ATOM 729 CD LYS 1 50 3.439 -5.036 -2.461 1.00 0.00 C ATOM 730 CE LYS 1 50 3.574 -3.511 -2.480 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.666 -3.017 -3.872 1.00 0.00 N ATOM 0 H LYS 1 50 3.009 -7.409 -0.404 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.915 -5.439 1.552 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.966 -4.298 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.703 -4.159 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.043 -6.547 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.285 -5.136 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.251 -5.469 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 3.533 -5.426 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.716 -3.058 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.461 -3.211 -1.922 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.757 -1.981 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.498 -3.436 -4.335 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.808 -3.287 -4.394 1.00 0.00 H new ATOM 745 N PRO 1 51 0.408 -7.574 1.687 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.769 -8.417 1.820 1.00 0.00 C ATOM 747 C PRO 1 51 -2.003 -7.585 2.170 1.00 0.00 C ATOM 748 O PRO 1 51 -2.622 -6.985 1.293 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.408 -9.429 2.896 1.00 0.00 C ATOM 750 CG PRO 1 51 0.769 -8.832 3.651 1.00 0.00 C ATOM 751 CD PRO 1 51 1.316 -7.678 2.826 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.033 -8.921 0.890 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.251 -9.607 3.564 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.143 -10.390 2.455 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.454 -8.483 4.634 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.540 -9.585 3.812 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.336 -6.753 3.403 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.338 -7.873 2.501 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.326 -7.575 3.456 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.476 -6.826 3.933 1.00 0.00 C ATOM 761 C LEU 1 52 -3.022 -5.436 4.383 1.00 0.00 C ATOM 762 O LEU 1 52 -3.559 -4.884 5.343 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.215 -7.613 5.017 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.776 -7.343 6.458 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.837 -6.539 7.212 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.428 -8.648 7.178 1.00 0.00 C ATOM 0 H LEU 1 52 -1.811 -8.074 4.182 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.198 -6.681 3.129 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.280 -7.394 4.935 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.092 -8.677 4.814 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.870 -6.737 6.432 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.501 -6.361 8.233 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.995 -5.584 6.710 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.772 -7.098 7.231 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.119 -8.428 8.200 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.302 -9.299 7.195 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.614 -9.148 6.652 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.038 -4.910 3.669 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.507 -3.594 3.983 1.00 0.00 C ATOM 780 C GLN 1 53 -2.621 -2.546 3.936 1.00 0.00 C ATOM 781 O GLN 1 53 -2.477 -1.458 4.491 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.365 -3.223 3.035 1.00 0.00 C ATOM 783 CG GLN 1 53 0.773 -4.243 3.122 1.00 0.00 C ATOM 784 CD GLN 1 53 1.263 -4.396 4.564 1.00 0.00 C ATOM 785 OE1 GLN 1 53 2.050 -3.610 5.066 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.756 -5.450 5.198 1.00 0.00 N ATOM 0 H GLN 1 53 -1.594 -5.371 2.874 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.102 -3.620 4.995 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.738 -3.175 2.012 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 0.011 -2.231 3.284 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.431 -5.207 2.746 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.599 -3.927 2.485 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.102 -6.068 4.718 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.022 -5.640 6.164 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.705 -2.911 3.267 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.842 -2.017 3.140 1.00 0.00 C ATOM 797 C GLU 1 54 -5.172 -1.381 4.492 1.00 0.00 C ATOM 798 O GLU 1 54 -5.784 -0.316 4.549 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.057 -2.751 2.568 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.679 -3.677 3.615 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.152 -3.331 3.846 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.958 -3.648 2.944 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.438 -2.759 4.919 1.00 0.00 O ATOM 0 H GLU 1 54 -3.819 -3.814 2.807 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.577 -1.223 2.442 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.799 -2.027 2.231 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.758 -3.331 1.695 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.592 -4.713 3.287 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.130 -3.592 4.553 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.751 -2.062 5.548 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.994 -1.579 6.896 1.00 0.00 C ATOM 812 C ALA 1 55 -4.611 -0.099 6.979 1.00 0.00 C ATOM 813 O ALA 1 55 -5.481 0.767 7.049 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.217 -2.438 7.895 1.00 0.00 C ATOM 0 H ALA 1 55 -4.243 -2.945 5.497 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.051 -1.662 7.148 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.400 -2.075 8.906 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.546 -3.474 7.817 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.151 -2.378 7.675 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.310 0.144 6.969 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.801 1.504 7.041 1.00 0.00 C ATOM 822 C GLU 1 56 -2.023 1.849 5.770 1.00 0.00 C ATOM 823 O GLU 1 56 -1.130 2.694 5.794 1.00 0.00 O ATOM 824 CB GLU 1 56 -1.932 1.698 8.285 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.764 2.224 9.458 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.885 2.471 10.686 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.087 3.430 10.629 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.032 1.693 11.654 1.00 0.00 O ATOM 0 H GLU 1 56 -2.591 -0.578 6.912 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.649 2.184 7.120 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.467 0.751 8.560 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.125 2.397 8.064 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.261 3.150 9.170 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.546 1.506 9.705 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.391 1.177 4.688 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.739 1.401 3.410 1.00 0.00 C ATOM 837 C CYS 1 57 -2.689 2.205 2.521 1.00 0.00 C ATOM 838 O CYS 1 57 -2.483 3.399 2.305 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.315 0.087 2.752 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.358 0.276 1.205 1.00 0.00 S ATOM 0 H CYS 1 57 -3.133 0.477 4.671 1.00 0.00 H new ATOM 0 HA CYS 1 57 -0.820 1.966 3.562 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.718 -0.483 3.464 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.208 -0.502 2.541 1.00 0.00 H new ATOM 845 N THR 1 58 -3.710 1.519 2.028 1.00 0.00 N ATOM 846 CA THR 1 58 -4.693 2.154 1.166 1.00 0.00 C ATOM 847 C THR 1 58 -5.527 3.160 1.960 1.00 0.00 C ATOM 848 O THR 1 58 -5.993 4.157 1.412 1.00 0.00 O ATOM 849 CB THR 1 58 -5.529 1.053 0.512 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.011 1.651 -0.689 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.799 0.733 1.304 1.00 0.00 C ATOM 0 H THR 1 58 -3.878 0.529 2.209 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.213 2.730 0.375 1.00 0.00 H new ATOM 0 HB THR 1 58 -4.926 0.150 0.412 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.979 1.514 -0.757 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.356 -0.055 0.796 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.529 0.399 2.306 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.419 1.627 1.375 1.00 0.00 H new ATOM 859 N PHE 1 59 -5.690 2.864 3.242 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.461 3.731 4.119 1.00 0.00 C ATOM 861 C PHE 1 59 -6.288 5.199 3.728 1.00 0.00 C ATOM 862 O PHE 1 59 -6.766 6.092 4.425 1.00 0.00 O ATOM 863 CB PHE 1 59 -5.923 3.525 5.536 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.842 4.065 6.634 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.107 3.583 6.759 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.393 5.027 7.484 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.960 4.083 7.779 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.245 5.528 8.503 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.511 5.046 8.629 1.00 0.00 C ATOM 0 H PHE 1 59 -5.302 2.036 3.694 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.521 3.487 4.047 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.763 2.460 5.702 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -4.951 4.010 5.619 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.463 2.820 6.083 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.388 5.410 7.384 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.964 3.699 7.880 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -6.888 6.292 9.178 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.160 5.428 9.404 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.603 15.776 -0.230 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.328 14.729 0.470 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.409 13.522 0.666 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.875 12.429 0.989 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.546 14.271 -0.335 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.578 13.465 0.457 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.405 12.228 0.519 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.515 14.103 0.981 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.659 15.130 1.428 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.037 15.149 -0.754 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.202 13.667 -1.175 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.121 13.759 0.465 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.134 12.705 0.615 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.609 12.670 2.052 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.980 13.510 2.872 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.958 12.909 -0.343 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.451 13.123 -1.777 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.600 14.170 -2.498 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.934 14.185 -3.941 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.153 14.726 -4.885 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.990 15.300 -4.547 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.536 14.695 -6.169 1.00 0.00 N ATOM 0 H ARG 2 18 -6.739 14.667 0.199 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.622 11.760 0.378 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.370 13.769 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.299 12.041 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.414 12.180 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.493 13.443 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.776 15.155 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.542 13.947 -2.363 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.812 13.757 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.699 15.325 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.396 15.712 -5.267 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.422 14.260 -6.427 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.942 15.107 -6.889 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.757 11.690 2.314 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.179 11.535 3.638 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.707 11.951 3.599 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.931 11.585 4.482 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.383 10.102 4.133 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.898 9.946 5.576 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.846 9.677 3.997 1.00 0.00 C ATOM 0 H VAL 2 19 -4.453 10.995 1.632 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.682 12.186 4.353 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.784 9.443 3.505 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.054 8.918 5.903 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.836 10.187 5.631 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.457 10.622 6.223 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.963 8.654 4.356 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.475 10.343 4.588 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.145 9.730 2.950 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.366 12.709 2.567 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.001 13.178 2.402 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.035 12.132 2.964 1.00 0.00 C ATOM 1162 O ASP 2 20 0.332 12.189 4.136 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.773 14.487 3.159 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.669 14.732 3.608 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.523 14.900 2.711 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.884 14.746 4.839 1.00 0.00 O ATOM 0 H ASP 2 20 -3.012 13.010 1.837 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.827 13.342 1.338 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.085 15.316 2.524 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.418 14.498 4.038 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.348 11.203 2.101 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.264 10.147 2.496 1.00 0.00 C ATOM 1173 C CYS 2 21 2.498 10.793 3.128 1.00 0.00 C ATOM 1174 O CYS 2 21 3.096 10.232 4.046 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.633 9.246 1.316 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.713 7.461 1.708 1.00 0.00 S ATOM 0 H CYS 2 21 0.041 11.160 1.129 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.780 9.498 3.226 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.903 9.396 0.520 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.600 9.561 0.925 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.843 11.964 2.613 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.996 12.692 3.115 1.00 0.00 C ATOM 1183 C GLY 2 22 5.258 11.829 3.060 1.00 0.00 C ATOM 1184 O GLY 2 22 5.917 11.621 4.077 1.00 0.00 O ATOM 0 H GLY 2 22 2.344 12.427 1.853 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.144 13.597 2.525 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.812 13.008 4.142 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.555 11.347 1.862 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.725 10.511 1.660 1.00 0.00 C ATOM 1190 C TYR 2 23 7.951 11.357 1.315 1.00 0.00 C ATOM 1191 O TYR 2 23 7.844 12.346 0.591 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.396 9.603 0.473 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.817 8.145 0.667 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.625 7.530 1.887 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.387 7.447 -0.376 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.020 6.157 2.070 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.784 6.075 -0.194 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.580 5.497 1.022 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.954 4.201 1.195 1.00 0.00 O ATOM 0 H TYR 2 23 5.005 11.520 1.021 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.955 9.949 2.565 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.322 9.639 0.289 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.886 9.996 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.179 8.078 2.704 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.536 7.930 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.874 5.663 3.019 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.233 5.517 -1.003 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.322 3.756 1.798 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.119 10.928 1.865 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.365 11.636 1.623 1.00 0.00 C ATOM 1211 C PRO 2 24 10.887 11.360 0.212 1.00 0.00 C ATOM 1212 O PRO 2 24 11.798 12.039 -0.261 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.310 11.153 2.710 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.714 9.856 3.234 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.284 9.762 2.728 1.00 0.00 C ATOM 0 HA PRO 2 24 10.249 12.719 1.667 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.312 10.990 2.313 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.399 11.892 3.507 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.297 9.002 2.890 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.735 9.839 4.324 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.119 8.836 2.178 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.571 9.775 3.552 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.287 10.363 -0.423 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.681 9.989 -1.771 1.00 0.00 C ATOM 1225 C HIS 2 25 9.466 10.063 -2.698 1.00 0.00 C ATOM 1226 O HIS 2 25 9.358 9.287 -3.647 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.351 8.613 -1.779 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.827 8.647 -1.462 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.708 9.512 -2.088 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.566 7.915 -0.580 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.921 9.300 -1.597 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.830 8.310 -0.663 1.00 0.00 N ATOM 0 H HIS 2 25 9.531 9.803 -0.029 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.425 10.692 -2.146 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.849 7.972 -1.055 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.211 8.158 -2.759 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.187 7.145 0.075 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.823 9.820 -1.886 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.606 7.935 -0.118 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.584 11.003 -2.393 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.382 11.188 -3.187 1.00 0.00 C ATOM 1243 C VAL 2 26 7.765 11.302 -4.665 1.00 0.00 C ATOM 1244 O VAL 2 26 8.496 12.212 -5.052 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.600 12.401 -2.677 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.546 13.540 -2.289 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.575 12.867 -3.714 1.00 0.00 C ATOM 0 H VAL 2 26 8.678 11.645 -1.606 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.722 10.327 -3.087 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.057 12.098 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.965 14.389 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.219 13.202 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.129 13.841 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.033 13.730 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.089 13.144 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.872 12.059 -3.920 1.00 0.00 H new ATOM 1257 N THR 2 27 7.253 10.364 -5.449 1.00 0.00 N ATOM 1258 CA THR 2 27 7.532 10.347 -6.875 1.00 0.00 C ATOM 1259 C THR 2 27 6.637 9.328 -7.581 1.00 0.00 C ATOM 1260 O THR 2 27 6.174 8.370 -6.964 1.00 0.00 O ATOM 1261 CB THR 2 27 9.027 10.075 -7.060 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.473 11.145 -7.889 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.294 8.821 -7.894 1.00 0.00 C ATOM 0 H THR 2 27 6.647 9.611 -5.124 1.00 0.00 H new ATOM 0 HA THR 2 27 7.302 11.308 -7.335 1.00 0.00 H new ATOM 0 HB THR 2 27 9.501 9.970 -6.084 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.433 11.049 -8.059 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.369 8.673 -7.995 1.00 0.00 H new ATOM 0 HG22 THR 2 27 8.854 7.955 -7.400 1.00 0.00 H new ATOM 0 HG23 THR 2 27 8.850 8.940 -8.882 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.414 9.576 -8.900 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.582 8.690 -9.697 1.00 0.00 C ATOM 1273 C PRO 2 28 6.323 7.393 -10.030 1.00 0.00 C ATOM 1274 O PRO 2 28 6.391 6.994 -11.191 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.217 9.500 -10.931 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.230 10.631 -11.002 1.00 0.00 C ATOM 1277 CD PRO 2 28 6.946 10.700 -9.664 1.00 0.00 C ATOM 0 HA PRO 2 28 4.685 8.366 -9.169 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.257 8.883 -11.829 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.202 9.889 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 6.943 10.455 -11.808 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 5.732 11.576 -11.218 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.026 10.619 -9.788 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 6.754 11.647 -9.160 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.860 6.773 -8.990 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.593 5.530 -9.157 1.00 0.00 C ATOM 1287 C LYS 2 29 7.944 4.961 -7.782 1.00 0.00 C ATOM 1288 O LYS 2 29 8.153 3.756 -7.638 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.808 5.742 -10.063 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.511 4.415 -10.357 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.788 4.261 -11.854 1.00 0.00 C ATOM 1292 CE LYS 2 29 11.275 4.009 -12.112 1.00 0.00 C ATOM 1293 NZ LYS 2 29 11.470 3.365 -13.431 1.00 0.00 N ATOM 0 H LYS 2 29 6.802 7.108 -8.028 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.974 4.788 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.493 6.205 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.506 6.430 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.448 4.366 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.892 3.587 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.201 3.434 -12.253 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.471 5.161 -12.381 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 11.821 4.952 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 11.684 3.374 -11.326 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 12.484 3.201 -13.591 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 10.965 2.456 -13.452 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 11.098 3.985 -14.178 1.00 0.00 H new ATOM 1307 N GLU 2 30 7.998 5.852 -6.803 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.321 5.454 -5.444 1.00 0.00 C ATOM 1309 C GLU 2 30 7.042 5.313 -4.615 1.00 0.00 C ATOM 1310 O GLU 2 30 6.881 4.344 -3.874 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.287 6.447 -4.796 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.705 5.875 -4.741 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.629 6.605 -5.717 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.309 6.585 -6.925 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.636 7.167 -5.233 1.00 0.00 O ATOM 0 H GLU 2 30 7.823 6.850 -6.925 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.818 4.485 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.289 7.379 -5.360 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 8.948 6.685 -3.788 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.098 5.963 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.682 4.812 -4.982 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.165 6.295 -4.767 1.00 0.00 N ATOM 1323 CA CYS 2 31 4.905 6.292 -4.042 1.00 0.00 C ATOM 1324 C CYS 2 31 4.076 5.101 -4.525 1.00 0.00 C ATOM 1325 O CYS 2 31 3.624 4.287 -3.720 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.155 7.615 -4.207 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.702 8.953 -3.085 1.00 0.00 S ATOM 0 H CYS 2 31 6.302 7.098 -5.381 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.097 6.190 -2.974 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.268 7.955 -5.237 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.092 7.436 -4.045 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.899 5.036 -5.836 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.130 3.958 -6.435 1.00 0.00 C ATOM 1334 C ASN 2 32 3.863 2.633 -6.216 1.00 0.00 C ATOM 1335 O ASN 2 32 3.348 1.571 -6.561 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.972 4.167 -7.943 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.334 5.525 -8.244 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.809 6.295 -9.063 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.235 5.774 -7.539 1.00 0.00 N ATOM 0 H ASN 2 32 4.275 5.712 -6.501 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.146 3.945 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.947 4.104 -8.427 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.356 3.371 -8.362 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.735 6.654 -7.667 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.892 5.085 -6.870 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.053 2.739 -5.644 1.00 0.00 N ATOM 1347 CA ASN 2 33 5.861 1.562 -5.374 1.00 0.00 C ATOM 1348 C ASN 2 33 5.828 1.258 -3.875 1.00 0.00 C ATOM 1349 O ASN 2 33 5.976 0.106 -3.469 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.319 1.791 -5.778 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.207 0.638 -5.306 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.945 -0.526 -5.561 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.269 1.025 -4.605 1.00 0.00 N ATOM 0 H ASN 2 33 5.477 3.622 -5.360 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.452 0.733 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.389 1.888 -6.861 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.676 2.728 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 9.923 0.330 -4.245 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.429 2.017 -4.428 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.633 2.311 -3.095 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.579 2.171 -1.649 1.00 0.00 C ATOM 1362 C ARG 2 34 4.150 1.862 -1.199 1.00 0.00 C ATOM 1363 O ARG 2 34 3.944 1.173 -0.201 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.061 3.445 -0.954 1.00 0.00 C ATOM 1365 CG ARG 2 34 4.916 4.447 -0.790 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.094 4.138 0.463 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.345 5.165 1.498 1.00 0.00 N ATOM 1368 CZ ARG 2 34 4.020 5.024 2.791 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.430 3.898 3.214 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 4.286 6.009 3.660 1.00 0.00 N ATOM 0 H ARG 2 34 5.510 3.264 -3.436 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.237 1.348 -1.371 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.474 3.196 0.024 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.865 3.898 -1.534 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.319 5.458 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.272 4.416 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 3.033 4.112 0.215 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.356 3.152 0.846 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.793 6.035 1.210 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.228 3.148 2.552 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 3.183 3.790 4.198 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.736 6.866 3.338 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 4.039 5.902 4.644 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.198 2.387 -1.958 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.794 2.175 -1.650 1.00 0.00 C ATOM 1386 C GLY 2 35 1.041 3.506 -1.582 1.00 0.00 C ATOM 1387 O GLY 2 35 0.007 3.605 -0.923 1.00 0.00 O ATOM 0 H GLY 2 35 3.372 2.958 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.344 1.537 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.702 1.652 -0.698 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.589 4.495 -2.273 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.982 5.815 -2.299 1.00 0.00 C ATOM 1393 C CYS 2 36 0.675 6.173 -3.755 1.00 0.00 C ATOM 1394 O CYS 2 36 1.127 5.492 -4.674 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.876 6.861 -1.631 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.220 6.558 0.140 1.00 0.00 S ATOM 0 H CYS 2 36 2.446 4.409 -2.819 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.056 5.804 -1.725 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.823 6.905 -2.168 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.406 7.839 -1.733 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.092 7.241 -3.919 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.465 7.698 -5.247 1.00 0.00 C ATOM 1403 C CYS 2 37 0.163 9.074 -5.475 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.032 9.990 -4.678 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.984 7.726 -5.429 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.549 7.686 -7.169 1.00 0.00 S ATOM 0 H CYS 2 37 -0.465 7.803 -3.154 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.088 7.000 -5.994 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.415 6.875 -4.902 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.376 8.626 -4.955 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.848 7.711 -7.204 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.905 9.176 -6.568 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.562 10.425 -6.912 1.00 0.00 C ATOM 1413 C PHE 2 38 0.686 11.271 -7.838 1.00 0.00 C ATOM 1414 O PHE 2 38 0.317 10.829 -8.925 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.856 10.063 -7.646 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.753 11.263 -7.955 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.567 11.769 -6.991 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.737 11.822 -9.195 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.400 12.884 -7.278 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.569 12.936 -9.483 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.383 13.443 -8.518 1.00 0.00 C ATOM 0 H PHE 2 38 1.066 8.414 -7.227 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.754 11.004 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.417 9.349 -7.042 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.604 9.561 -8.580 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.581 11.324 -6.007 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.091 11.418 -9.961 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.046 13.287 -6.512 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.556 13.380 -10.467 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.016 14.290 -8.737 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.376 12.471 -7.373 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.451 13.383 -8.146 1.00 0.00 C ATOM 1433 C ASP 2 39 0.441 14.223 -9.062 1.00 0.00 C ATOM 1434 O ASP 2 39 0.613 13.897 -10.236 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.220 14.338 -7.231 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.999 15.439 -7.954 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.965 15.080 -8.662 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.610 16.615 -7.784 1.00 0.00 O ATOM 0 H ASP 2 39 0.682 12.834 -6.470 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.158 12.788 -8.724 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.917 13.757 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.515 14.804 -6.543 1.00 0.00 H new ATOM 1443 N SER 2 40 0.987 15.286 -8.491 1.00 0.00 N ATOM 1444 CA SER 2 40 1.858 16.175 -9.242 1.00 0.00 C ATOM 1445 C SER 2 40 1.026 17.244 -9.955 1.00 0.00 C ATOM 1446 O SER 2 40 1.565 18.244 -10.425 1.00 0.00 O ATOM 1447 CB SER 2 40 2.700 15.395 -10.255 1.00 0.00 C ATOM 1448 OG SER 2 40 4.022 15.915 -10.362 1.00 0.00 O ATOM 0 H SER 2 40 0.843 15.552 -7.517 1.00 0.00 H new ATOM 0 HA SER 2 40 2.538 16.660 -8.541 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.745 14.347 -9.958 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.217 15.429 -11.231 1.00 0.00 H new ATOM 0 HG SER 2 40 4.662 15.251 -10.030 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.274 16.995 -10.012 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.186 17.923 -10.659 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.214 19.253 -9.904 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.147 20.319 -10.513 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.603 17.350 -10.722 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.639 16.068 -11.555 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.921 15.991 -12.388 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.781 16.815 -13.610 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.692 16.866 -14.590 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.816 16.141 -14.499 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.481 17.641 -15.663 1.00 0.00 N ATOM 0 H ARG 2 41 -0.718 16.164 -9.621 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.827 18.086 -11.675 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.960 17.143 -9.713 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.279 18.088 -11.154 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.771 16.033 -12.213 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.576 15.201 -10.898 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.127 14.956 -12.659 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.769 16.341 -11.799 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.937 17.379 -13.712 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.977 15.550 -13.683 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.510 16.180 -15.246 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.626 18.193 -15.734 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.176 17.679 -16.409 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.313 19.147 -8.586 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.351 20.328 -7.741 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.189 20.276 -6.747 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.150 19.408 -5.876 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.722 20.469 -7.077 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.815 19.829 -7.936 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.028 21.933 -6.757 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.205 20.163 -7.391 1.00 0.00 C ATOM 0 H ILE 2 42 -1.368 18.261 -8.083 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.219 21.229 -8.340 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.700 19.930 -6.130 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.729 20.182 -8.964 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.679 18.748 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.008 22.005 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.269 22.323 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.025 22.515 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.964 19.696 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.296 19.787 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.347 21.244 -7.393 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.755 21.241 -6.915 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.916 21.313 -6.042 1.00 0.00 C ATOM 1499 C PRO 2 43 1.536 21.874 -4.671 1.00 0.00 C ATOM 1500 O PRO 2 43 2.367 21.925 -3.766 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.913 22.185 -6.786 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.107 22.947 -7.826 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.744 22.285 -7.935 1.00 0.00 C ATOM 0 HA PRO 2 43 2.345 20.334 -5.829 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.417 22.870 -6.104 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.686 21.579 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 2.002 23.993 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.617 22.933 -8.789 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.059 23.001 -7.760 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.586 21.866 -8.929 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.279 22.280 -4.560 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.220 22.836 -3.314 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.891 21.756 -2.462 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.302 22.017 -1.332 1.00 0.00 O ATOM 0 H GLY 2 44 -0.408 22.235 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.602 23.285 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.933 23.632 -3.527 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.981 20.565 -3.037 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.595 19.445 -2.345 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.576 18.311 -2.215 1.00 0.00 C ATOM 1521 O VAL 2 45 0.565 18.444 -2.653 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.873 19.020 -3.068 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.563 20.223 -3.717 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.582 17.932 -4.104 1.00 0.00 C ATOM 0 H VAL 2 45 -0.639 20.352 -3.974 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.890 19.735 -1.336 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.554 18.603 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.469 19.893 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.822 20.952 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.889 20.682 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.508 17.648 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.874 18.311 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.156 17.061 -3.607 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.037 17.192 -1.595 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.178 16.036 -1.402 1.00 0.00 C ATOM 1536 C PRO 2 46 0.015 15.271 -2.713 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.943 14.736 -3.270 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.868 15.209 -0.329 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.309 15.690 -0.293 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.383 16.998 -1.063 1.00 0.00 C ATOM 0 HA PRO 2 46 0.830 16.309 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.817 14.146 -0.563 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.386 15.346 0.639 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.971 14.947 -0.738 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.638 15.834 0.736 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.121 16.945 -1.863 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.675 17.824 -0.414 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.259 15.245 -3.167 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.589 14.555 -4.403 1.00 0.00 C ATOM 1550 C TRP 2 47 1.972 13.115 -4.053 1.00 0.00 C ATOM 1551 O TRP 2 47 2.750 12.485 -4.768 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.689 15.296 -5.168 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.998 16.690 -4.617 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.260 17.803 -4.729 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.164 17.076 -3.860 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.864 18.875 -4.101 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.057 18.418 -3.557 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.273 16.317 -3.446 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.026 19.118 -2.826 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.231 17.031 -2.717 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.138 18.381 -2.403 1.00 0.00 C ATOM 0 H TRP 2 47 2.050 15.690 -2.702 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.730 14.534 -5.074 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.600 14.697 -5.146 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.393 15.387 -6.213 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.313 17.855 -5.245 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.501 19.827 -4.047 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.377 15.266 -3.673 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.920 20.169 -2.601 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.104 16.495 -2.375 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.921 18.860 -1.834 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.408 12.638 -2.953 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.680 11.285 -2.500 1.00 0.00 C ATOM 1574 C CYS 2 48 0.703 10.950 -1.371 1.00 0.00 C ATOM 1575 O CYS 2 48 0.864 11.424 -0.247 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.137 11.116 -2.063 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.624 9.399 -1.663 1.00 0.00 S ATOM 0 H CYS 2 48 0.764 13.164 -2.363 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.534 10.587 -3.325 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.785 11.487 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.314 11.742 -1.188 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.287 10.138 -1.709 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.289 9.736 -0.737 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.651 8.258 -0.902 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.967 7.523 -1.612 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.534 10.585 -1.000 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.671 11.056 -2.450 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.741 11.893 -2.983 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.723 10.638 -3.204 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.868 12.330 -4.329 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.849 11.076 -4.549 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.919 11.912 -5.083 1.00 0.00 C ATOM 0 H PHE 2 49 -0.417 9.747 -2.642 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.905 9.879 0.273 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.419 10.008 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.512 11.457 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.906 12.225 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.462 9.974 -2.780 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.130 12.994 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.684 10.745 -5.148 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.015 12.244 -6.106 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.727 7.866 -0.234 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.187 6.490 -0.298 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.657 6.467 -0.722 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.530 6.113 0.069 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.918 5.773 1.027 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.475 6.574 2.206 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.346 7.221 3.010 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.367 6.165 3.529 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.456 6.056 5.003 1.00 0.00 N ATOM 0 H LYS 2 50 -3.293 8.478 0.354 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.628 5.937 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.373 4.783 1.008 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.845 5.628 1.155 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.153 7.345 1.839 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.058 5.918 2.853 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.815 7.939 2.385 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.765 7.777 3.849 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.588 5.200 3.073 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.350 6.429 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.786 5.335 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.223 6.973 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.422 5.782 5.273 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.891 6.861 -2.003 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.240 6.889 -2.541 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.739 5.476 -2.848 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.250 4.790 -1.965 1.00 0.00 O ATOM 1628 CB PRO 2 51 -6.152 7.769 -3.778 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.679 7.820 -4.148 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.883 7.287 -2.968 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.966 7.289 -1.833 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.746 7.357 -4.594 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.539 8.768 -3.575 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.488 7.221 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.379 8.842 -4.380 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.243 6.456 -3.265 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.234 8.056 -2.549 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.572 5.083 -4.102 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.997 3.763 -4.536 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.786 2.829 -4.577 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.642 2.035 -5.505 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.750 3.853 -5.864 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.896 3.741 -7.129 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.075 2.375 -7.793 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.192 4.891 -8.094 1.00 0.00 C ATOM 0 H LEU 2 52 -6.148 5.656 -4.832 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.704 3.337 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.502 3.064 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.283 4.803 -5.893 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.848 3.824 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.457 2.322 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.774 1.591 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.121 2.237 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.572 4.788 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.244 4.865 -8.379 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.971 5.841 -7.607 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.947 2.954 -3.560 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.753 2.131 -3.469 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.108 0.658 -3.674 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.239 -0.157 -3.982 1.00 0.00 O ATOM 1661 CB GLN 2 53 -3.043 2.343 -2.130 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.597 3.798 -1.970 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.640 4.204 -3.092 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.654 5.322 -3.582 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.808 3.238 -3.470 1.00 0.00 N ATOM 0 H GLN 2 53 -5.070 3.613 -2.791 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.065 2.432 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.712 2.072 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.177 1.684 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.469 4.452 -1.976 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -2.108 3.928 -1.005 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.849 2.324 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.129 3.411 -4.211 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.387 0.358 -3.495 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.867 -1.003 -3.657 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.223 -1.650 -4.886 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.119 -2.874 -4.964 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.393 -1.038 -3.756 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.038 -0.654 -2.422 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.414 -1.304 -2.271 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.152 -1.313 -3.280 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.698 -1.776 -1.149 1.00 0.00 O ATOM 0 H GLU 2 54 -6.105 1.036 -3.239 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.580 -1.576 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.726 -0.353 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.719 -2.036 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.393 -0.964 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -8.135 0.430 -2.360 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.808 -0.800 -5.813 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.178 -1.274 -7.034 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.360 -2.529 -6.726 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.721 -3.628 -7.145 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.326 -0.156 -7.636 1.00 0.00 C ATOM 0 H ALA 2 55 -4.895 0.214 -5.744 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.931 -1.545 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.854 -0.511 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.959 0.702 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.557 0.140 -6.922 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.273 -2.325 -5.996 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.401 -3.427 -5.627 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.948 -3.281 -4.173 1.00 0.00 C ATOM 1702 O GLU 2 56 0.078 -3.835 -3.780 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.198 -3.513 -6.570 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.078 -4.913 -7.176 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.141 -5.008 -8.096 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 2.266 -4.973 -7.553 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.919 -5.114 -9.321 1.00 0.00 O ATOM 0 H GLU 2 56 -1.976 -1.412 -5.650 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.962 -4.357 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.301 -2.776 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.714 -3.269 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.004 -5.652 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.982 -5.149 -7.738 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.735 -2.534 -3.413 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.428 -2.308 -2.011 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.277 -3.267 -1.173 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.741 -4.111 -0.456 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.651 -0.848 -1.610 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.476 -0.206 -0.363 1.00 0.00 S ATOM 0 H CYS 2 57 -2.586 -2.077 -3.742 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.372 -2.507 -1.831 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.586 -0.227 -2.503 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.664 -0.743 -1.222 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.586 -3.103 -1.291 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.514 -3.944 -0.554 1.00 0.00 C ATOM 1726 C THR 2 58 -4.343 -5.409 -0.956 1.00 0.00 C ATOM 1727 O THR 2 58 -4.424 -6.302 -0.114 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.928 -3.409 -0.793 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.752 -4.224 0.036 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.429 -3.693 -2.210 1.00 0.00 C ATOM 0 H THR 2 58 -4.026 -2.401 -1.885 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.314 -3.909 0.517 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.945 -2.335 -0.610 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.687 -3.945 -0.056 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.436 -3.293 -2.327 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.764 -3.219 -2.933 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.444 -4.769 -2.382 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.106 -5.613 -2.244 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.922 -6.955 -2.769 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.241 -7.858 -1.738 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.041 -7.737 -1.497 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.020 -6.835 -3.999 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.648 -7.371 -5.287 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -3.659 -8.710 -5.531 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.196 -6.511 -6.186 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -4.242 -9.208 -6.726 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.778 -7.009 -7.381 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.790 -8.347 -7.626 1.00 0.00 C ATOM 0 H PHE 2 59 -4.037 -4.870 -2.940 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.889 -7.394 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.758 -5.787 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.091 -7.372 -3.809 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -3.225 -9.393 -4.816 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -4.189 -5.449 -5.991 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -4.251 -10.270 -6.921 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.211 -6.325 -8.096 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.234 -8.726 -8.535 1.00 0.00 H new