USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 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 124:sc= -0.818 USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : 1 27 THR OG1 : rot 58:sc= 0.182 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.781 F(o=-3.8!,f=-0.78) USER MOD Single : 1 33 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1.5) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.223 USER MOD Single : 1 40 SER OG : rot 111:sc= 0.418 USER MOD Single : 1 50 LYS NZ :NH3+ -141:sc= -1.81! (180deg=-2.69!) USER MOD Single : 1 53 GLN : amide:sc= -9.57! C(o=-9.6!,f=-15!) USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 2 23 TYR OH : rot 180:sc= 0 USER MOD Single : 2 25 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-1.7) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.0106 F(o=-0.99,f=-0.011) USER MOD Single : 2 33 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.6!) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0487 USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ -148:sc= -1.09! (180deg=-4.33!) USER MOD Single : 2 53 GLN : amide:sc= -14.9! C(o=-15!,f=-22!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.21 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.213 -16.544 -1.864 1.00 0.00 N ATOM 229 CA ASP 1 17 0.128 -15.776 -2.451 1.00 0.00 C ATOM 230 C ASP 1 17 0.431 -14.283 -2.308 1.00 0.00 C ATOM 231 O ASP 1 17 -0.433 -13.444 -2.560 1.00 0.00 O ATOM 232 CB ASP 1 17 -1.197 -16.059 -1.738 1.00 0.00 C ATOM 233 CG ASP 1 17 -2.449 -15.666 -2.523 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.431 -15.862 -3.757 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -3.397 -15.178 -1.870 1.00 0.00 O ATOM 0 HA ASP 1 17 0.042 -16.062 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -1.249 -17.123 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -1.201 -15.528 -0.786 1.00 0.00 H new ATOM 240 N ARG 1 18 1.660 -13.997 -1.906 1.00 0.00 N ATOM 241 CA ARG 1 18 2.088 -12.619 -1.728 1.00 0.00 C ATOM 242 C ARG 1 18 2.700 -12.082 -3.023 1.00 0.00 C ATOM 243 O ARG 1 18 2.878 -12.826 -3.986 1.00 0.00 O ATOM 244 CB ARG 1 18 3.115 -12.503 -0.600 1.00 0.00 C ATOM 245 CG ARG 1 18 2.647 -13.256 0.648 1.00 0.00 C ATOM 246 CD ARG 1 18 3.815 -13.979 1.322 1.00 0.00 C ATOM 247 NE ARG 1 18 3.396 -14.489 2.646 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.228 -14.658 3.684 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.527 -14.357 3.556 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.760 -15.127 4.849 1.00 0.00 N ATOM 0 H ARG 1 18 2.374 -14.695 -1.698 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.209 -12.030 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.073 -12.903 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.276 -11.453 -0.356 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.193 -12.557 1.350 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 1.877 -13.977 0.375 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.153 -14.804 0.695 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.659 -13.298 1.435 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.413 -14.727 2.778 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 5.883 -13.999 2.669 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.160 -14.485 4.345 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.771 -15.356 4.946 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.393 -15.255 5.638 1.00 0.00 H new ATOM 264 N VAL 1 19 3.007 -10.793 -3.004 1.00 0.00 N ATOM 265 CA VAL 1 19 3.595 -10.146 -4.165 1.00 0.00 C ATOM 266 C VAL 1 19 5.078 -9.881 -3.899 1.00 0.00 C ATOM 267 O VAL 1 19 5.692 -9.048 -4.563 1.00 0.00 O ATOM 268 CB VAL 1 19 2.813 -8.878 -4.510 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.191 -8.361 -5.900 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.305 -9.116 -4.405 1.00 0.00 C ATOM 0 H VAL 1 19 2.860 -10.179 -2.203 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.533 -10.797 -5.037 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.082 -8.112 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.620 -7.459 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.256 -8.132 -5.926 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 2.966 -9.124 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.773 -8.198 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.012 -9.905 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.054 -9.414 -3.387 1.00 0.00 H new ATOM 280 N ASP 1 20 5.610 -10.605 -2.925 1.00 0.00 N ATOM 281 CA ASP 1 20 7.010 -10.458 -2.563 1.00 0.00 C ATOM 282 C ASP 1 20 7.438 -9.006 -2.780 1.00 0.00 C ATOM 283 O ASP 1 20 7.931 -8.654 -3.851 1.00 0.00 O ATOM 284 CB ASP 1 20 7.900 -11.349 -3.431 1.00 0.00 C ATOM 285 CG ASP 1 20 9.327 -10.836 -3.634 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.117 -10.962 -2.673 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.596 -10.330 -4.745 1.00 0.00 O ATOM 0 H ASP 1 20 5.097 -11.295 -2.376 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.121 -10.748 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 7.947 -12.340 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.430 -11.466 -4.407 1.00 0.00 H new ATOM 292 N CYS 1 21 7.236 -8.201 -1.747 1.00 0.00 N ATOM 293 CA CYS 1 21 7.595 -6.795 -1.812 1.00 0.00 C ATOM 294 C CYS 1 21 9.044 -6.691 -2.294 1.00 0.00 C ATOM 295 O CYS 1 21 9.392 -5.768 -3.028 1.00 0.00 O ATOM 296 CB CYS 1 21 7.390 -6.096 -0.466 1.00 0.00 C ATOM 297 SG CYS 1 21 6.855 -4.350 -0.582 1.00 0.00 S ATOM 0 H CYS 1 21 6.828 -8.496 -0.860 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.941 -6.282 -2.517 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.647 -6.652 0.107 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.323 -6.139 0.096 1.00 0.00 H new ATOM 302 N GLY 1 22 9.848 -7.651 -1.862 1.00 0.00 N ATOM 303 CA GLY 1 22 11.251 -7.679 -2.240 1.00 0.00 C ATOM 304 C GLY 1 22 11.912 -6.323 -1.992 1.00 0.00 C ATOM 305 O GLY 1 22 12.368 -5.669 -2.930 1.00 0.00 O ATOM 0 H GLY 1 22 9.555 -8.415 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.770 -8.450 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.342 -7.945 -3.293 1.00 0.00 H new ATOM 309 N TYR 1 23 11.946 -5.939 -0.725 1.00 0.00 N ATOM 310 CA TYR 1 23 12.545 -4.671 -0.342 1.00 0.00 C ATOM 311 C TYR 1 23 14.024 -4.847 0.008 1.00 0.00 C ATOM 312 O TYR 1 23 14.405 -5.841 0.625 1.00 0.00 O ATOM 313 CB TYR 1 23 11.789 -4.207 0.905 1.00 0.00 C ATOM 314 CG TYR 1 23 10.942 -2.953 0.687 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.531 -1.705 0.735 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.589 -3.067 0.444 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.733 -0.524 0.531 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.791 -1.885 0.240 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.403 -0.672 0.293 1.00 0.00 C ATOM 320 OH TYR 1 23 8.650 0.444 0.101 1.00 0.00 O ATOM 0 H TYR 1 23 11.568 -6.484 0.050 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.481 -3.954 -1.160 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 11.142 -5.015 1.247 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.507 -4.014 1.702 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.590 -1.615 0.926 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 9.128 -4.043 0.407 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 11.181 0.458 0.566 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.731 -1.961 0.049 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.184 0.381 -0.759 1.00 0.00 H new ATOM 330 N PRO 1 24 14.837 -3.842 -0.411 1.00 0.00 N ATOM 331 CA PRO 1 24 16.266 -3.877 -0.148 1.00 0.00 C ATOM 332 C PRO 1 24 16.562 -3.551 1.317 1.00 0.00 C ATOM 333 O PRO 1 24 17.702 -3.661 1.764 1.00 0.00 O ATOM 334 CB PRO 1 24 16.868 -2.868 -1.114 1.00 0.00 C ATOM 335 CG PRO 1 24 15.720 -1.975 -1.554 1.00 0.00 C ATOM 336 CD PRO 1 24 14.421 -2.650 -1.145 1.00 0.00 C ATOM 0 HA PRO 1 24 16.698 -4.865 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.653 -2.286 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.323 -3.369 -1.969 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.802 -0.992 -1.090 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.747 -1.822 -2.633 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.813 -1.994 -0.522 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.819 -2.911 -2.016 1.00 0.00 H new ATOM 344 N HIS 1 25 15.514 -3.156 2.026 1.00 0.00 N ATOM 345 CA HIS 1 25 15.647 -2.813 3.431 1.00 0.00 C ATOM 346 C HIS 1 25 14.687 -3.669 4.261 1.00 0.00 C ATOM 347 O HIS 1 25 14.398 -3.344 5.411 1.00 0.00 O ATOM 348 CB HIS 1 25 15.440 -1.313 3.646 1.00 0.00 C ATOM 349 CG HIS 1 25 16.605 -0.461 3.203 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.597 0.268 2.026 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.815 -0.230 3.790 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.754 0.904 1.920 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.507 0.594 3.013 1.00 0.00 N ATOM 0 H HIS 1 25 14.569 -3.066 1.653 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.660 -3.033 3.769 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.547 -0.999 3.105 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 15.252 -1.131 4.704 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 18.152 -0.647 4.728 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.049 1.554 1.110 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.448 0.939 3.203 1.00 0.00 H new ATOM 362 N VAL 1 26 14.224 -4.746 3.645 1.00 0.00 N ATOM 363 CA VAL 1 26 13.303 -5.651 4.312 1.00 0.00 C ATOM 364 C VAL 1 26 13.731 -5.823 5.770 1.00 0.00 C ATOM 365 O VAL 1 26 14.892 -6.120 6.050 1.00 0.00 O ATOM 366 CB VAL 1 26 13.229 -6.977 3.551 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.628 -7.478 3.185 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.462 -8.028 4.354 1.00 0.00 C ATOM 0 H VAL 1 26 14.469 -5.013 2.691 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.295 -5.236 4.315 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.683 -6.801 2.624 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.547 -8.421 2.645 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 15.125 -6.741 2.555 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 15.210 -7.629 4.094 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.424 -8.960 3.791 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.967 -8.199 5.305 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.448 -7.675 4.540 1.00 0.00 H new ATOM 378 N THR 1 27 12.772 -5.629 6.663 1.00 0.00 N ATOM 379 CA THR 1 27 13.034 -5.758 8.085 1.00 0.00 C ATOM 380 C THR 1 27 11.721 -5.836 8.866 1.00 0.00 C ATOM 381 O THR 1 27 10.701 -5.310 8.426 1.00 0.00 O ATOM 382 CB THR 1 27 13.925 -4.589 8.510 1.00 0.00 C ATOM 383 OG1 THR 1 27 15.163 -5.203 8.857 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.453 -3.937 9.812 1.00 0.00 C ATOM 0 H THR 1 27 11.810 -5.383 6.428 1.00 0.00 H new ATOM 0 HA THR 1 27 13.562 -6.686 8.306 1.00 0.00 H new ATOM 0 HB THR 1 27 13.946 -3.842 7.717 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.505 -5.707 8.089 1.00 0.00 H new ATOM 0 HG21 THR 1 27 14.119 -3.114 10.069 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.440 -3.557 9.682 1.00 0.00 H new ATOM 0 HG23 THR 1 27 13.463 -4.676 10.613 1.00 0.00 H new ATOM 392 N PRO 1 28 11.791 -6.516 10.043 1.00 0.00 N ATOM 393 CA PRO 1 28 10.620 -6.670 10.888 1.00 0.00 C ATOM 394 C PRO 1 28 10.297 -5.366 11.621 1.00 0.00 C ATOM 395 O PRO 1 28 10.128 -5.359 12.839 1.00 0.00 O ATOM 396 CB PRO 1 28 10.963 -7.811 11.831 1.00 0.00 C ATOM 397 CG PRO 1 28 12.477 -7.945 11.790 1.00 0.00 C ATOM 398 CD PRO 1 28 12.983 -7.152 10.596 1.00 0.00 C ATOM 0 HA PRO 1 28 9.718 -6.898 10.319 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.617 -7.599 12.843 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.480 -8.736 11.516 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.919 -7.569 12.713 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.765 -8.993 11.702 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.724 -6.411 10.897 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.462 -7.801 9.863 1.00 0.00 H new ATOM 406 N LYS 1 29 10.220 -4.292 10.847 1.00 0.00 N ATOM 407 CA LYS 1 29 9.921 -2.986 11.407 1.00 0.00 C ATOM 408 C LYS 1 29 9.954 -1.939 10.291 1.00 0.00 C ATOM 409 O LYS 1 29 9.379 -0.861 10.430 1.00 0.00 O ATOM 410 CB LYS 1 29 10.861 -2.674 12.572 1.00 0.00 C ATOM 411 CG LYS 1 29 10.210 -1.698 13.555 1.00 0.00 C ATOM 412 CD LYS 1 29 10.117 -2.311 14.954 1.00 0.00 C ATOM 413 CE LYS 1 29 11.110 -1.646 15.911 1.00 0.00 C ATOM 414 NZ LYS 1 29 11.376 -2.524 17.071 1.00 0.00 N ATOM 0 H LYS 1 29 10.360 -4.301 9.837 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.916 -2.973 11.828 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 11.123 -3.597 13.090 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.789 -2.248 12.191 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.790 -0.776 13.596 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 9.213 -1.432 13.203 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.104 -2.197 15.339 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.319 -3.381 14.900 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 12.042 -1.432 15.387 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 10.711 -0.691 16.254 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 12.051 -2.059 17.711 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 10.487 -2.707 17.579 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 11.777 -3.425 16.740 1.00 0.00 H new ATOM 428 N GLU 1 30 10.635 -2.293 9.212 1.00 0.00 N ATOM 429 CA GLU 1 30 10.753 -1.397 8.073 1.00 0.00 C ATOM 430 C GLU 1 30 9.696 -1.737 7.019 1.00 0.00 C ATOM 431 O GLU 1 30 9.072 -0.842 6.450 1.00 0.00 O ATOM 432 CB GLU 1 30 12.160 -1.450 7.475 1.00 0.00 C ATOM 433 CG GLU 1 30 12.915 -0.144 7.734 1.00 0.00 C ATOM 434 CD GLU 1 30 13.635 -0.185 9.083 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.922 -0.296 10.104 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.882 -0.104 9.062 1.00 0.00 O ATOM 0 H GLU 1 30 11.111 -3.188 9.101 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.580 -0.378 8.419 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.712 -2.285 7.907 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 12.097 -1.631 6.402 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.638 0.026 6.937 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 12.217 0.693 7.715 1.00 0.00 H new ATOM 443 N CYS 1 31 9.529 -3.030 6.792 1.00 0.00 N ATOM 444 CA CYS 1 31 8.559 -3.499 5.816 1.00 0.00 C ATOM 445 C CYS 1 31 7.178 -2.980 6.224 1.00 0.00 C ATOM 446 O CYS 1 31 6.470 -2.386 5.412 1.00 0.00 O ATOM 447 CB CYS 1 31 8.579 -5.024 5.686 1.00 0.00 C ATOM 448 SG CYS 1 31 9.987 -5.693 4.726 1.00 0.00 S ATOM 0 H CYS 1 31 10.048 -3.769 7.266 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.816 -3.112 4.830 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.599 -5.460 6.685 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.650 -5.347 5.216 1.00 0.00 H new ATOM 453 N ASN 1 32 6.837 -3.223 7.481 1.00 0.00 N ATOM 454 CA ASN 1 32 5.555 -2.788 8.006 1.00 0.00 C ATOM 455 C ASN 1 32 5.526 -1.259 8.071 1.00 0.00 C ATOM 456 O ASN 1 32 4.505 -0.667 8.412 1.00 0.00 O ATOM 457 CB ASN 1 32 5.327 -3.325 9.421 1.00 0.00 C ATOM 458 CG ASN 1 32 5.473 -4.848 9.460 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.779 -5.481 8.519 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 6.171 -5.409 10.289 1.00 0.00 N flip ATOM 0 H ASN 1 32 7.427 -3.716 8.151 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.775 -3.168 7.346 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 6.042 -2.870 10.106 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.332 -3.043 9.765 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 6.678 -4.861 10.984 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 6.248 -6.426 10.287 1.00 0.00 H new ATOM 467 N ASN 1 33 6.662 -0.665 7.736 1.00 0.00 N ATOM 468 CA ASN 1 33 6.782 0.783 7.752 1.00 0.00 C ATOM 469 C ASN 1 33 6.764 1.308 6.315 1.00 0.00 C ATOM 470 O ASN 1 33 6.354 2.441 6.068 1.00 0.00 O ATOM 471 CB ASN 1 33 8.097 1.221 8.399 1.00 0.00 C ATOM 472 CG ASN 1 33 8.084 2.720 8.709 1.00 0.00 C ATOM 473 OD1 ASN 1 33 7.091 3.408 8.534 1.00 0.00 O ATOM 474 ND2 ASN 1 33 9.238 3.185 9.178 1.00 0.00 N ATOM 0 H ASN 1 33 7.507 -1.160 7.452 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.947 1.183 8.327 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 8.260 0.658 9.318 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.928 0.991 7.733 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 9.331 4.173 9.415 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 10.030 2.554 9.300 1.00 0.00 H new ATOM 481 N ARG 1 34 7.212 0.458 5.403 1.00 0.00 N ATOM 482 CA ARG 1 34 7.254 0.822 3.996 1.00 0.00 C ATOM 483 C ARG 1 34 5.889 0.584 3.348 1.00 0.00 C ATOM 484 O ARG 1 34 5.563 1.203 2.335 1.00 0.00 O ATOM 485 CB ARG 1 34 8.314 0.011 3.249 1.00 0.00 C ATOM 486 CG ARG 1 34 9.614 -0.064 4.053 1.00 0.00 C ATOM 487 CD ARG 1 34 10.812 0.350 3.196 1.00 0.00 C ATOM 488 NE ARG 1 34 11.769 1.133 4.009 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.972 1.533 3.576 1.00 0.00 C ATOM 490 NH1 ARG 1 34 13.374 1.226 2.335 1.00 0.00 N ATOM 491 NH2 ARG 1 34 13.774 2.240 4.384 1.00 0.00 N ATOM 0 H ARG 1 34 7.549 -0.482 5.610 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.512 1.879 3.933 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.941 -0.995 3.060 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.508 0.467 2.278 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 9.544 0.586 4.926 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.760 -1.079 4.422 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 11.304 -0.535 2.792 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 10.474 0.943 2.346 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.495 1.384 4.959 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.764 0.688 1.720 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 14.290 1.531 2.006 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 13.468 2.474 5.329 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 14.690 2.545 4.054 1.00 0.00 H new ATOM 505 N GLY 1 35 5.127 -0.313 3.956 1.00 0.00 N ATOM 506 CA GLY 1 35 3.805 -0.639 3.450 1.00 0.00 C ATOM 507 C GLY 1 35 3.716 -2.117 3.061 1.00 0.00 C ATOM 508 O GLY 1 35 2.883 -2.497 2.239 1.00 0.00 O ATOM 0 H GLY 1 35 5.400 -0.825 4.795 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 3.055 -0.413 4.208 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.580 -0.017 2.584 1.00 0.00 H new ATOM 512 N CYS 1 36 4.585 -2.909 3.670 1.00 0.00 N ATOM 513 CA CYS 1 36 4.616 -4.336 3.398 1.00 0.00 C ATOM 514 C CYS 1 36 4.359 -5.081 4.709 1.00 0.00 C ATOM 515 O CYS 1 36 4.148 -4.460 5.749 1.00 0.00 O ATOM 516 CB CYS 1 36 5.936 -4.760 2.749 1.00 0.00 C ATOM 517 SG CYS 1 36 6.386 -3.826 1.242 1.00 0.00 S ATOM 0 H CYS 1 36 5.274 -2.590 4.351 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.836 -4.589 2.679 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.736 -4.649 3.481 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.878 -5.819 2.499 1.00 0.00 H new ATOM 522 N CYS 1 37 4.384 -6.402 4.616 1.00 0.00 N ATOM 523 CA CYS 1 37 4.156 -7.239 5.782 1.00 0.00 C ATOM 524 C CYS 1 37 5.340 -8.197 5.924 1.00 0.00 C ATOM 525 O CYS 1 37 5.678 -8.916 4.985 1.00 0.00 O ATOM 526 CB CYS 1 37 2.824 -7.987 5.690 1.00 0.00 C ATOM 527 SG CYS 1 37 2.144 -8.544 7.294 1.00 0.00 S ATOM 0 H CYS 1 37 4.559 -6.914 3.751 1.00 0.00 H new ATOM 0 HA CYS 1 37 4.086 -6.615 6.673 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.093 -7.339 5.207 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.955 -8.856 5.046 1.00 0.00 H new ATOM 0 HG CYS 1 37 1.017 -9.161 7.097 1.00 0.00 H new ATOM 532 N PHE 1 38 5.937 -8.177 7.107 1.00 0.00 N ATOM 533 CA PHE 1 38 7.076 -9.036 7.385 1.00 0.00 C ATOM 534 C PHE 1 38 6.623 -10.377 7.966 1.00 0.00 C ATOM 535 O PHE 1 38 5.960 -10.416 9.001 1.00 0.00 O ATOM 536 CB PHE 1 38 7.940 -8.311 8.419 1.00 0.00 C ATOM 537 CG PHE 1 38 9.289 -8.984 8.683 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.351 -8.722 7.875 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.425 -9.845 9.728 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.601 -9.346 8.122 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.676 -10.469 9.975 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.738 -10.207 9.166 1.00 0.00 C ATOM 0 H PHE 1 38 5.653 -7.580 7.884 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.625 -9.237 6.465 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 8.115 -7.290 8.080 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.388 -8.245 9.357 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.243 -8.039 7.045 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.581 -10.054 10.369 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.444 -9.137 7.481 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.785 -11.152 10.805 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.690 -10.683 9.353 1.00 0.00 H new ATOM 552 N ASP 1 39 7.000 -11.442 7.275 1.00 0.00 N ATOM 553 CA ASP 1 39 6.641 -12.782 7.710 1.00 0.00 C ATOM 554 C ASP 1 39 7.738 -13.327 8.626 1.00 0.00 C ATOM 555 O ASP 1 39 7.613 -13.273 9.850 1.00 0.00 O ATOM 556 CB ASP 1 39 6.508 -13.730 6.516 1.00 0.00 C ATOM 557 CG ASP 1 39 6.287 -15.201 6.881 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.208 -15.490 7.441 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.202 -16.000 6.591 1.00 0.00 O ATOM 0 H ASP 1 39 7.550 -11.405 6.417 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.686 -12.723 8.233 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.676 -13.396 5.896 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.409 -13.653 5.908 1.00 0.00 H new ATOM 564 N SER 1 40 8.787 -13.839 8.001 1.00 0.00 N ATOM 565 CA SER 1 40 9.905 -14.393 8.746 1.00 0.00 C ATOM 566 C SER 1 40 9.648 -15.869 9.054 1.00 0.00 C ATOM 567 O SER 1 40 10.568 -16.601 9.413 1.00 0.00 O ATOM 568 CB SER 1 40 10.145 -13.614 10.041 1.00 0.00 C ATOM 569 OG SER 1 40 11.531 -13.507 10.350 1.00 0.00 O ATOM 0 H SER 1 40 8.887 -13.882 6.987 1.00 0.00 H new ATOM 0 HA SER 1 40 10.801 -14.307 8.132 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.716 -12.616 9.949 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.627 -14.109 10.863 1.00 0.00 H new ATOM 0 HG SER 1 40 11.818 -12.576 10.248 1.00 0.00 H new ATOM 575 N ARG 1 41 8.392 -16.262 8.902 1.00 0.00 N ATOM 576 CA ARG 1 41 8.002 -17.639 9.159 1.00 0.00 C ATOM 577 C ARG 1 41 8.777 -18.590 8.245 1.00 0.00 C ATOM 578 O ARG 1 41 9.420 -19.525 8.718 1.00 0.00 O ATOM 579 CB ARG 1 41 6.501 -17.836 8.937 1.00 0.00 C ATOM 580 CG ARG 1 41 5.687 -17.087 9.993 1.00 0.00 C ATOM 581 CD ARG 1 41 4.580 -17.975 10.566 1.00 0.00 C ATOM 582 NE ARG 1 41 4.948 -18.426 11.926 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.266 -19.348 12.621 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.178 -19.921 12.088 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.672 -19.696 13.850 1.00 0.00 N ATOM 0 H ARG 1 41 7.631 -15.652 8.604 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.236 -17.862 10.200 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.227 -17.482 7.943 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.261 -18.899 8.974 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.345 -16.756 10.797 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.248 -16.192 9.551 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.640 -17.424 10.598 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.422 -18.837 9.918 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.771 -18.010 12.362 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.868 -19.656 11.153 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.660 -20.622 12.617 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.499 -19.260 14.256 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.153 -20.397 14.379 1.00 0.00 H new ATOM 599 N ILE 1 42 8.688 -18.318 6.952 1.00 0.00 N ATOM 600 CA ILE 1 42 9.372 -19.138 5.966 1.00 0.00 C ATOM 601 C ILE 1 42 10.442 -18.299 5.265 1.00 0.00 C ATOM 602 O ILE 1 42 10.143 -17.241 4.713 1.00 0.00 O ATOM 603 CB ILE 1 42 8.365 -19.776 5.007 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.962 -19.793 5.618 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.822 -21.173 4.582 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.985 -20.562 4.726 1.00 0.00 C ATOM 0 H ILE 1 42 8.153 -17.541 6.564 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.885 -19.968 6.451 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.317 -19.165 4.106 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.997 -20.253 6.606 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.608 -18.771 5.754 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.089 -21.604 3.901 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.787 -21.103 4.080 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.917 -21.808 5.463 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.995 -20.559 5.183 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.934 -20.086 3.747 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.329 -21.590 4.612 1.00 0.00 H new ATOM 618 N PRO 1 43 11.699 -18.817 5.310 1.00 0.00 N ATOM 619 CA PRO 1 43 12.816 -18.126 4.686 1.00 0.00 C ATOM 620 C PRO 1 43 12.771 -18.277 3.163 1.00 0.00 C ATOM 621 O PRO 1 43 13.474 -17.567 2.445 1.00 0.00 O ATOM 622 CB PRO 1 43 14.057 -18.744 5.308 1.00 0.00 C ATOM 623 CG PRO 1 43 13.609 -20.067 5.907 1.00 0.00 C ATOM 624 CD PRO 1 43 12.090 -20.066 5.954 1.00 0.00 C ATOM 0 HA PRO 1 43 12.795 -17.050 4.857 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.834 -18.898 4.559 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.477 -18.091 6.073 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.972 -20.901 5.306 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.022 -20.192 6.908 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.677 -20.928 5.429 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.726 -20.113 6.980 1.00 0.00 H new ATOM 632 N GLY 1 44 11.938 -19.206 2.717 1.00 0.00 N ATOM 633 CA GLY 1 44 11.792 -19.458 1.294 1.00 0.00 C ATOM 634 C GLY 1 44 10.692 -18.582 0.690 1.00 0.00 C ATOM 635 O GLY 1 44 10.542 -18.519 -0.529 1.00 0.00 O ATOM 0 H GLY 1 44 11.358 -19.793 3.316 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 12.737 -19.261 0.788 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.555 -20.509 1.130 1.00 0.00 H new ATOM 639 N VAL 1 45 9.952 -17.927 1.573 1.00 0.00 N ATOM 640 CA VAL 1 45 8.869 -17.058 1.143 1.00 0.00 C ATOM 641 C VAL 1 45 9.280 -15.599 1.349 1.00 0.00 C ATOM 642 O VAL 1 45 10.297 -15.321 1.984 1.00 0.00 O ATOM 643 CB VAL 1 45 7.579 -17.425 1.879 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.207 -16.350 2.903 1.00 0.00 C ATOM 645 CG2 VAL 1 45 6.434 -17.664 0.894 1.00 0.00 C ATOM 0 H VAL 1 45 10.081 -17.980 2.583 1.00 0.00 H new ATOM 0 HA VAL 1 45 8.670 -17.193 0.080 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.755 -18.355 2.419 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.286 -16.635 3.412 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.010 -16.250 3.634 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.060 -15.398 2.394 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 5.529 -17.923 1.444 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.259 -16.758 0.313 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 6.697 -18.481 0.222 1.00 0.00 H new ATOM 655 N PRO 1 46 8.449 -14.682 0.787 1.00 0.00 N ATOM 656 CA PRO 1 46 8.716 -13.259 0.902 1.00 0.00 C ATOM 657 C PRO 1 46 8.382 -12.750 2.306 1.00 0.00 C ATOM 658 O PRO 1 46 7.218 -12.734 2.705 1.00 0.00 O ATOM 659 CB PRO 1 46 7.868 -12.610 -0.180 1.00 0.00 C ATOM 660 CG PRO 1 46 6.812 -13.637 -0.553 1.00 0.00 C ATOM 661 CD PRO 1 46 7.236 -14.976 0.028 1.00 0.00 C ATOM 0 HA PRO 1 46 9.770 -13.017 0.763 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.408 -11.691 0.183 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.475 -12.343 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 5.838 -13.342 -0.161 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 6.712 -13.706 -1.636 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.459 -15.394 0.669 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.428 -15.706 -0.758 1.00 0.00 H new ATOM 669 N TRP 1 47 9.425 -12.349 3.019 1.00 0.00 N ATOM 670 CA TRP 1 47 9.258 -11.842 4.371 1.00 0.00 C ATOM 671 C TRP 1 47 8.965 -10.343 4.280 1.00 0.00 C ATOM 672 O TRP 1 47 9.308 -9.585 5.186 1.00 0.00 O ATOM 673 CB TRP 1 47 10.481 -12.162 5.231 1.00 0.00 C ATOM 674 CG TRP 1 47 11.497 -13.083 4.552 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.408 -14.406 4.355 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.765 -12.694 3.985 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.522 -14.896 3.705 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.374 -13.822 3.473 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.378 -11.431 3.906 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.626 -13.800 2.846 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.629 -11.427 3.278 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.255 -12.553 2.757 1.00 0.00 C ATOM 0 H TRP 1 47 10.389 -12.365 2.686 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.419 -12.331 4.866 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.976 -11.229 5.502 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.148 -12.627 6.159 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.570 -15.012 4.666 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.690 -15.867 3.443 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.920 -10.535 4.299 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.081 -14.697 2.452 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.144 -10.482 3.192 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.223 -12.466 2.285 1.00 0.00 H new ATOM 693 N CYS 1 48 8.337 -9.960 3.178 1.00 0.00 N ATOM 694 CA CYS 1 48 7.995 -8.565 2.958 1.00 0.00 C ATOM 695 C CYS 1 48 7.082 -8.482 1.733 1.00 0.00 C ATOM 696 O CYS 1 48 7.556 -8.503 0.598 1.00 0.00 O ATOM 697 CB CYS 1 48 9.244 -7.695 2.799 1.00 0.00 C ATOM 698 SG CYS 1 48 8.945 -5.894 2.927 1.00 0.00 S ATOM 0 H CYS 1 48 8.056 -10.591 2.428 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.469 -8.175 3.829 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.970 -7.984 3.559 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.696 -7.906 1.830 1.00 0.00 H new ATOM 703 N PHE 1 49 5.788 -8.388 2.004 1.00 0.00 N ATOM 704 CA PHE 1 49 4.805 -8.301 0.938 1.00 0.00 C ATOM 705 C PHE 1 49 3.725 -7.271 1.271 1.00 0.00 C ATOM 706 O PHE 1 49 3.853 -6.522 2.239 1.00 0.00 O ATOM 707 CB PHE 1 49 4.155 -9.682 0.816 1.00 0.00 C ATOM 708 CG PHE 1 49 4.113 -10.468 2.128 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.271 -10.857 2.725 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.916 -10.776 2.698 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.232 -11.587 3.942 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.877 -11.506 3.915 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.036 -11.896 4.512 1.00 0.00 C ATOM 0 H PHE 1 49 5.398 -8.370 2.946 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.288 -7.994 0.010 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.138 -9.562 0.444 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.700 -10.264 0.073 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.221 -10.611 2.273 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 1.996 -10.465 2.225 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.152 -11.897 4.415 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.927 -11.752 4.367 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.006 -12.451 5.438 1.00 0.00 H new ATOM 723 N LYS 1 50 2.685 -7.264 0.449 1.00 0.00 N ATOM 724 CA LYS 1 50 1.584 -6.335 0.645 1.00 0.00 C ATOM 725 C LYS 1 50 0.288 -7.124 0.842 1.00 0.00 C ATOM 726 O LYS 1 50 -0.590 -7.108 -0.019 1.00 0.00 O ATOM 727 CB LYS 1 50 1.522 -5.329 -0.506 1.00 0.00 C ATOM 728 CG LYS 1 50 2.592 -5.631 -1.557 1.00 0.00 C ATOM 729 CD LYS 1 50 3.940 -5.030 -1.154 1.00 0.00 C ATOM 730 CE LYS 1 50 3.768 -3.610 -0.610 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.822 -2.845 -1.452 1.00 0.00 N ATOM 0 H LYS 1 50 2.582 -7.886 -0.353 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.739 -5.744 1.547 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.535 -5.360 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.662 -4.320 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.692 -6.709 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.284 -5.228 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.411 -5.658 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.607 -5.015 -2.016 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.402 -3.649 0.416 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.733 -3.104 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.159 -1.866 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.758 -3.286 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.883 -2.844 -1.006 1.00 0.00 H new ATOM 745 N PRO 1 51 0.207 -7.812 2.012 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.967 -8.605 2.335 1.00 0.00 C ATOM 747 C PRO 1 51 -2.139 -7.708 2.741 1.00 0.00 C ATOM 748 O PRO 1 51 -2.815 -7.139 1.885 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.519 -9.537 3.449 1.00 0.00 C ATOM 750 CG PRO 1 51 0.744 -8.918 4.026 1.00 0.00 C ATOM 751 CD PRO 1 51 1.227 -7.853 3.057 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.337 -9.175 1.483 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.291 -9.633 4.212 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.323 -10.538 3.066 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.542 -8.481 5.004 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.511 -9.679 4.169 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.328 -6.886 3.550 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.205 -8.105 2.646 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.346 -7.613 4.046 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.424 -6.796 4.575 1.00 0.00 C ATOM 761 C LEU 1 52 -2.908 -5.377 4.827 1.00 0.00 C ATOM 762 O LEU 1 52 -3.337 -4.715 5.771 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.038 -7.455 5.812 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.396 -7.093 7.153 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.414 -6.440 8.090 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.733 -8.315 7.791 1.00 0.00 C ATOM 0 H LEU 1 52 -1.785 -8.089 4.753 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.233 -6.717 3.849 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.094 -7.190 5.854 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.986 -8.537 5.687 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.611 -6.360 6.968 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.932 -6.193 9.036 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.800 -5.530 7.631 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.237 -7.131 8.272 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.284 -8.030 8.743 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.482 -9.089 7.960 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -1.959 -8.698 7.126 1.00 0.00 H new ATOM 778 N GLN 1 53 -1.996 -4.953 3.965 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.416 -3.625 4.081 1.00 0.00 C ATOM 780 C GLN 1 53 -2.520 -2.566 4.111 1.00 0.00 C ATOM 781 O GLN 1 53 -2.290 -1.437 4.542 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.428 -3.356 2.945 1.00 0.00 C ATOM 783 CG GLN 1 53 0.754 -4.326 3.005 1.00 0.00 C ATOM 784 CD GLN 1 53 1.466 -4.238 4.356 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.774 -5.233 4.991 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.711 -2.994 4.759 1.00 0.00 N ATOM 0 H GLN 1 53 -1.644 -5.505 3.183 1.00 0.00 H new ATOM 0 HA GLN 1 53 -0.862 -3.572 5.018 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.936 -3.455 1.986 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.065 -2.330 3.009 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.402 -5.344 2.841 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.457 -4.099 2.204 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.427 -2.205 4.179 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 2.183 -2.830 5.648 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.694 -2.968 3.646 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.833 -2.066 3.613 1.00 0.00 C ATOM 797 C GLU 1 54 -4.926 -1.280 4.922 1.00 0.00 C ATOM 798 O GLU 1 54 -5.485 -0.185 4.956 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.130 -2.831 3.340 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.745 -3.350 4.642 1.00 0.00 C ATOM 801 CD GLU 1 54 -7.882 -2.439 5.112 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.009 -2.635 4.610 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -7.597 -1.570 5.963 1.00 0.00 O ATOM 0 H GLU 1 54 -3.881 -3.905 3.289 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.688 -1.358 2.797 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.841 -2.179 2.832 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.929 -3.667 2.670 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.123 -4.361 4.492 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -5.977 -3.407 5.414 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.370 -1.869 5.970 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.383 -1.239 7.279 1.00 0.00 C ATOM 812 C ALA 1 55 -4.129 0.262 7.119 1.00 0.00 C ATOM 813 O ALA 1 55 -5.038 1.071 7.299 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.346 -1.911 8.181 1.00 0.00 C ATOM 0 H ALA 1 55 -3.907 -2.777 5.939 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.356 -1.362 7.754 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.356 -1.438 9.163 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.586 -2.969 8.286 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.356 -1.806 7.738 1.00 0.00 H new ATOM 820 N GLU 1 56 -2.890 0.588 6.782 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.506 1.977 6.596 1.00 0.00 C ATOM 822 C GLU 1 56 -1.803 2.158 5.249 1.00 0.00 C ATOM 823 O GLU 1 56 -0.973 3.052 5.093 1.00 0.00 O ATOM 824 CB GLU 1 56 -1.620 2.460 7.745 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.462 3.064 8.871 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.673 4.128 9.636 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.316 5.140 8.995 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -1.445 3.905 10.845 1.00 0.00 O ATOM 0 H GLU 1 56 -2.139 -0.086 6.633 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.410 2.586 6.597 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.034 1.627 8.132 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -0.913 3.203 7.376 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.367 3.506 8.456 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -2.777 2.277 9.556 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.160 1.293 4.311 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.573 1.345 2.983 1.00 0.00 C ATOM 837 C CYS 1 57 -2.633 1.866 2.009 1.00 0.00 C ATOM 838 O CYS 1 57 -2.418 2.866 1.327 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.024 -0.016 2.552 1.00 0.00 C ATOM 840 SG CYS 1 57 0.292 0.053 1.282 1.00 0.00 S ATOM 0 H CYS 1 57 -2.848 0.552 4.444 1.00 0.00 H new ATOM 0 HA CYS 1 57 -0.719 2.023 2.988 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.634 -0.529 3.431 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.847 -0.619 2.169 1.00 0.00 H new ATOM 845 N THR 1 58 -3.757 1.163 1.975 1.00 0.00 N ATOM 846 CA THR 1 58 -4.851 1.540 1.097 1.00 0.00 C ATOM 847 C THR 1 58 -5.541 2.802 1.620 1.00 0.00 C ATOM 848 O THR 1 58 -6.086 3.583 0.841 1.00 0.00 O ATOM 849 CB THR 1 58 -5.791 0.341 0.970 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.455 0.550 -0.273 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.919 0.369 2.003 1.00 0.00 C ATOM 0 H THR 1 58 -3.933 0.334 2.542 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.490 1.793 0.100 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.220 -0.581 1.081 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.084 -0.184 -0.435 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.557 -0.504 1.869 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.494 0.357 3.007 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.511 1.275 1.871 1.00 0.00 H new ATOM 859 N PHE 1 59 -5.497 2.961 2.934 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.112 4.114 3.569 1.00 0.00 C ATOM 861 C PHE 1 59 -5.995 5.356 2.683 1.00 0.00 C ATOM 862 O PHE 1 59 -6.140 6.480 3.161 1.00 0.00 O ATOM 863 CB PHE 1 59 -5.355 4.362 4.875 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.208 4.987 5.981 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.319 4.342 6.429 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -5.857 6.188 6.515 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.111 4.922 7.455 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -6.650 6.767 7.541 1.00 0.00 C ATOM 869 CZ PHE 1 59 -7.760 6.123 7.989 1.00 0.00 C ATOM 0 H PHE 1 59 -5.045 2.311 3.577 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.171 3.922 3.742 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -4.950 3.415 5.234 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -4.506 5.015 4.672 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.598 3.389 6.004 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -4.976 6.701 6.159 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -8.992 4.410 7.812 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -6.371 7.720 7.966 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -8.363 6.565 8.769 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.300 14.849 -0.805 1.00 0.00 N ATOM 1108 CA ASP 2 17 -10.001 13.689 -0.280 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.990 12.580 0.014 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.372 11.434 0.251 1.00 0.00 O ATOM 1111 CB ASP 2 17 -11.012 13.151 -1.294 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.885 12.000 -0.788 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.582 12.220 0.225 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.834 10.927 -1.427 1.00 0.00 O ATOM 0 HA ASP 2 17 -10.526 13.993 0.626 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.661 13.969 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.472 12.816 -2.180 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.720 12.958 -0.008 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.652 12.008 0.254 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.283 12.022 1.738 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.852 12.786 2.516 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.409 12.335 -0.577 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.787 12.670 -2.022 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.977 13.860 -2.538 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.309 14.122 -3.956 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.471 14.694 -4.831 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.246 15.068 -4.439 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.859 14.892 -6.099 1.00 0.00 N ATOM 0 H ARG 2 18 -7.407 13.909 -0.203 1.00 0.00 H new ATOM 0 HA ARG 2 18 -7.012 11.018 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.881 13.178 -0.131 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.725 11.487 -0.564 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.611 11.803 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.851 12.897 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.190 14.744 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.911 13.656 -2.437 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.234 13.850 -4.288 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.951 14.917 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.608 15.503 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.792 14.607 -6.397 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.221 15.327 -6.765 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.332 11.167 2.086 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.881 11.070 3.464 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.478 11.669 3.579 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.756 11.391 4.536 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.952 9.617 3.937 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.392 9.474 5.354 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.383 9.083 3.857 1.00 0.00 C ATOM 0 H VAL 2 19 -4.862 10.535 1.438 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.534 11.643 4.122 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.333 9.017 3.270 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.454 8.432 5.666 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.351 9.795 5.368 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.972 10.093 6.039 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.405 8.048 4.199 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -7.033 9.688 4.489 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.732 9.132 2.826 1.00 0.00 H new ATOM 1159 N ASP 2 20 -3.132 12.480 2.590 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.828 13.120 2.568 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.795 12.187 3.205 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.492 12.308 4.391 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.841 14.425 3.366 1.00 0.00 C ATOM 1164 CG ASP 2 20 -0.491 14.836 3.957 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 0.512 14.707 3.223 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 -0.493 15.271 5.129 1.00 0.00 O ATOM 0 H ASP 2 20 -3.733 12.709 1.798 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.576 13.335 1.529 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -2.196 15.226 2.717 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -2.562 14.329 4.178 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.285 11.277 2.388 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.707 10.324 2.857 1.00 0.00 C ATOM 1173 C CYS 2 21 1.777 11.089 3.639 1.00 0.00 C ATOM 1174 O CYS 2 21 2.284 10.599 4.647 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.309 9.520 1.703 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.480 7.726 2.024 1.00 0.00 S ATOM 0 H CYS 2 21 -0.540 11.179 1.405 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.232 9.594 3.513 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.687 9.659 0.819 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.292 9.928 1.468 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.088 12.279 3.145 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.088 13.116 3.784 1.00 0.00 C ATOM 1183 C GLY 2 22 4.375 12.331 4.047 1.00 0.00 C ATOM 1184 O GLY 2 22 4.805 12.203 5.192 1.00 0.00 O ATOM 0 H GLY 2 22 1.665 12.683 2.309 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.306 13.976 3.151 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 2.696 13.504 4.724 1.00 0.00 H new ATOM 1188 N TYR 2 23 4.952 11.826 2.967 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.181 11.056 3.066 1.00 0.00 C ATOM 1190 C TYR 2 23 7.407 11.955 2.894 1.00 0.00 C ATOM 1191 O TYR 2 23 7.369 12.925 2.138 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.140 10.046 1.917 1.00 0.00 C ATOM 1193 CG TYR 2 23 5.919 8.601 2.367 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.001 7.804 2.687 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 4.639 8.091 2.453 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.793 6.445 3.111 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.432 6.731 2.877 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.519 5.975 3.185 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.323 4.690 3.584 1.00 0.00 O ATOM 0 H TYR 2 23 4.592 11.935 2.019 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.255 10.577 4.042 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.344 10.327 1.228 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.077 10.104 1.362 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.003 8.201 2.619 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 3.792 8.713 2.202 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.630 5.812 3.365 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 3.436 6.321 2.949 1.00 0.00 H new ATOM 0 HH TYR 2 23 4.363 4.492 3.591 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.493 11.593 3.628 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.728 12.356 3.564 1.00 0.00 C ATOM 1211 C PRO 2 24 10.475 12.082 2.257 1.00 0.00 C ATOM 1212 O PRO 2 24 11.461 12.751 1.950 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.513 11.937 4.796 1.00 0.00 C ATOM 1214 CG PRO 2 24 9.902 10.623 5.253 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.575 10.451 4.533 1.00 0.00 C ATOM 0 HA PRO 2 24 9.558 13.433 3.563 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.571 11.815 4.562 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.444 12.693 5.579 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.570 9.792 5.026 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 9.753 10.626 6.333 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.541 9.509 3.986 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 7.742 10.442 5.236 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.977 11.097 1.524 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.586 10.727 0.257 1.00 0.00 C ATOM 1225 C HIS 2 25 9.570 10.909 -0.873 1.00 0.00 C ATOM 1226 O HIS 2 25 9.808 10.481 -2.001 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.152 9.307 0.322 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.614 9.211 -0.046 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.163 8.096 -0.654 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.633 10.103 0.115 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.455 8.318 -0.845 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.744 9.562 -0.368 1.00 0.00 N ATOM 0 H HIS 2 25 9.160 10.544 1.783 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.430 11.384 0.049 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.016 8.918 1.331 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.577 8.667 -0.347 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.550 11.083 0.560 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.156 7.634 -1.299 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.663 10.004 -0.380 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.460 11.545 -0.530 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.408 11.791 -1.502 1.00 0.00 C ATOM 1243 C VAL 2 26 8.037 12.127 -2.854 1.00 0.00 C ATOM 1244 O VAL 2 26 8.801 13.084 -2.968 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.468 12.884 -0.990 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.257 14.052 -0.397 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.530 13.364 -2.100 1.00 0.00 C ATOM 0 H VAL 2 26 8.266 11.898 0.407 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.799 10.897 -1.641 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.857 12.455 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.565 14.815 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 7.864 13.696 0.435 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 7.905 14.479 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 4.872 14.141 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.118 13.767 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.931 12.527 -2.457 1.00 0.00 H new ATOM 1257 N THR 2 27 7.692 11.321 -3.849 1.00 0.00 N ATOM 1258 CA THR 2 27 8.213 11.521 -5.190 1.00 0.00 C ATOM 1259 C THR 2 27 7.427 10.683 -6.199 1.00 0.00 C ATOM 1260 O THR 2 27 6.794 9.695 -5.831 1.00 0.00 O ATOM 1261 CB THR 2 27 9.709 11.201 -5.168 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.329 12.406 -5.609 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.102 10.170 -6.229 1.00 0.00 C ATOM 0 H THR 2 27 7.058 10.528 -3.752 1.00 0.00 H new ATOM 0 HA THR 2 27 8.092 12.556 -5.511 1.00 0.00 H new ATOM 0 HB THR 2 27 9.987 10.831 -4.181 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.302 12.287 -5.623 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.173 9.978 -6.171 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.557 9.242 -6.054 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.855 10.554 -7.219 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.493 11.120 -7.486 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.795 10.420 -8.551 1.00 0.00 C ATOM 1273 C PRO 2 28 7.514 9.121 -8.917 1.00 0.00 C ATOM 1274 O PRO 2 28 7.751 8.849 -10.094 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.737 11.413 -9.700 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.804 12.454 -9.407 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.233 12.286 -7.958 1.00 0.00 C ATOM 0 HA PRO 2 28 5.792 10.106 -8.262 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.925 10.919 -10.653 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.751 11.873 -9.769 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.656 12.326 -10.075 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.415 13.458 -9.576 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.309 12.131 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.994 13.172 -7.369 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.843 8.353 -7.889 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.530 7.089 -8.088 1.00 0.00 C ATOM 1287 C LYS 2 29 8.780 6.429 -6.730 1.00 0.00 C ATOM 1288 O LYS 2 29 9.071 5.236 -6.660 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.801 7.295 -8.915 1.00 0.00 C ATOM 1290 CG LYS 2 29 10.004 6.145 -9.904 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.245 6.675 -11.319 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.338 5.971 -12.329 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.874 6.121 -13.701 1.00 0.00 N ATOM 0 H LYS 2 29 7.646 8.582 -6.915 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.909 6.405 -8.665 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.738 8.239 -9.457 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.663 7.366 -8.252 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.852 5.536 -9.590 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.127 5.497 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 10.060 7.749 -11.345 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.289 6.524 -11.595 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.256 4.913 -12.078 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.333 6.389 -12.277 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 9.246 5.637 -14.374 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 9.929 7.131 -13.944 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 10.824 5.701 -13.750 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.658 7.235 -5.685 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.867 6.744 -4.334 1.00 0.00 C ATOM 1309 C GLU 2 30 7.524 6.450 -3.663 1.00 0.00 C ATOM 1310 O GLU 2 30 7.361 5.414 -3.020 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.685 7.740 -3.510 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.136 7.274 -3.369 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.910 7.490 -4.671 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.347 8.640 -4.887 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.047 6.498 -5.420 1.00 0.00 O ATOM 0 H GLU 2 30 8.417 8.224 -5.747 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.435 5.815 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.659 8.720 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.238 7.854 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.620 7.820 -2.559 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.158 6.218 -3.099 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.596 7.381 -3.835 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.272 7.233 -3.254 1.00 0.00 C ATOM 1324 C CYS 2 31 4.679 5.908 -3.737 1.00 0.00 C ATOM 1325 O CYS 2 31 4.289 5.067 -2.929 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.370 8.421 -3.595 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.845 9.999 -2.799 1.00 0.00 S ATOM 0 H CYS 2 31 6.735 8.240 -4.368 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.349 7.219 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.371 8.561 -4.676 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.348 8.178 -3.306 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.631 5.765 -5.054 1.00 0.00 N ATOM 1333 CA ASN 2 32 4.092 4.557 -5.655 1.00 0.00 C ATOM 1334 C ASN 2 32 4.959 3.362 -5.254 1.00 0.00 C ATOM 1335 O ASN 2 32 4.590 2.213 -5.495 1.00 0.00 O ATOM 1336 CB ASN 2 32 4.096 4.651 -7.182 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.745 5.144 -7.704 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.296 6.238 -7.096 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 2.149 4.568 -8.600 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.956 6.465 -5.721 1.00 0.00 H new ATOM 0 HA ASN 2 32 3.067 4.435 -5.304 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.885 5.330 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 4.321 3.674 -7.610 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 2.551 3.732 -9.024 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 1.249 4.923 -8.924 1.00 0.00 H new ATOM 1346 N ASN 2 33 6.095 3.674 -4.646 1.00 0.00 N ATOM 1347 CA ASN 2 33 7.017 2.639 -4.208 1.00 0.00 C ATOM 1348 C ASN 2 33 6.703 2.262 -2.759 1.00 0.00 C ATOM 1349 O ASN 2 33 6.824 1.099 -2.377 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.465 3.133 -4.265 1.00 0.00 C ATOM 1351 CG ASN 2 33 9.412 2.005 -4.682 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 9.004 0.966 -5.170 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.697 2.270 -4.461 1.00 0.00 N ATOM 0 H ASN 2 33 6.397 4.628 -4.447 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.901 1.781 -4.870 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.544 3.959 -4.972 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.760 3.519 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 11.409 1.581 -4.704 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.970 3.162 -4.048 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.306 3.266 -1.991 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.973 3.053 -0.593 1.00 0.00 C ATOM 1362 C ARG 2 34 4.539 2.539 -0.461 1.00 0.00 C ATOM 1363 O ARG 2 34 4.206 1.859 0.509 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.120 4.346 0.210 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.308 5.171 -0.290 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.284 5.473 0.849 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.673 5.217 0.405 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.759 5.513 1.132 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.624 6.077 2.340 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.981 5.245 0.650 1.00 0.00 N ATOM 0 H ARG 2 34 6.207 4.230 -2.311 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.666 2.311 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.205 4.934 0.130 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.256 4.109 1.265 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.824 4.629 -1.082 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.950 6.105 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.179 6.511 1.163 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.050 4.853 1.714 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.812 4.789 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.694 6.281 2.706 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.451 6.302 2.893 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.084 4.816 -0.270 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.808 5.470 1.203 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.726 2.884 -1.450 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.335 2.465 -1.456 1.00 0.00 C ATOM 1386 C GLY 2 35 1.399 3.675 -1.457 1.00 0.00 C ATOM 1387 O GLY 2 35 0.257 3.581 -1.011 1.00 0.00 O ATOM 0 H GLY 2 35 4.005 3.449 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 2.141 1.849 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.134 1.846 -0.582 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.917 4.784 -1.965 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.142 6.011 -2.031 1.00 0.00 C ATOM 1393 C CYS 2 36 0.970 6.393 -3.501 1.00 0.00 C ATOM 1394 O CYS 2 36 1.626 5.827 -4.374 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.792 7.135 -1.221 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.052 6.754 0.550 1.00 0.00 S ATOM 0 H CYS 2 36 2.865 4.858 -2.335 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.162 5.849 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.755 7.378 -1.671 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.170 8.026 -1.299 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.084 7.351 -3.732 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.183 7.815 -5.083 1.00 0.00 C ATOM 1403 C CYS 2 37 0.334 9.250 -5.208 1.00 0.00 C ATOM 1404 O CYS 2 37 0.050 10.093 -4.358 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.668 7.711 -5.434 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.025 7.570 -7.224 1.00 0.00 S ATOM 0 H CYS 2 37 -0.458 7.819 -3.006 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.337 7.178 -5.799 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.088 6.843 -4.925 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.182 8.589 -5.043 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.310 7.486 -7.405 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.085 9.483 -6.275 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.644 10.801 -6.523 1.00 0.00 C ATOM 1413 C PHE 2 38 0.741 11.614 -7.453 1.00 0.00 C ATOM 1414 O PHE 2 38 0.504 11.219 -8.594 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.000 10.591 -7.201 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.875 11.845 -7.242 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.557 12.235 -6.132 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.972 12.571 -8.388 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.370 13.398 -6.168 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.785 13.735 -8.426 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.467 14.123 -7.315 1.00 0.00 C ATOM 0 H PHE 2 38 1.319 8.781 -6.977 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.739 11.348 -5.585 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.539 9.801 -6.677 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.835 10.242 -8.220 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.480 11.659 -5.222 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.430 12.262 -9.270 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.911 13.707 -5.286 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.862 14.311 -9.336 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.086 15.007 -7.343 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.262 12.734 -6.932 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.608 13.605 -7.702 1.00 0.00 C ATOM 1433 C ASP 2 39 0.237 14.450 -8.657 1.00 0.00 C ATOM 1434 O ASP 2 39 0.390 14.104 -9.827 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.383 14.557 -6.787 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.642 15.947 -7.372 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.507 16.032 -8.270 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.970 16.892 -6.908 1.00 0.00 O ATOM 0 H ASP 2 39 0.460 13.058 -5.985 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.311 12.979 -8.251 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.341 14.099 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.832 14.669 -5.853 1.00 0.00 H new ATOM 1443 N SER 2 40 0.765 15.542 -8.121 1.00 0.00 N ATOM 1444 CA SER 2 40 1.591 16.438 -8.912 1.00 0.00 C ATOM 1445 C SER 2 40 0.707 17.434 -9.667 1.00 0.00 C ATOM 1446 O SER 2 40 1.171 18.500 -10.069 1.00 0.00 O ATOM 1447 CB SER 2 40 2.469 15.658 -9.891 1.00 0.00 C ATOM 1448 OG SER 2 40 3.709 16.316 -10.135 1.00 0.00 O ATOM 0 H SER 2 40 0.637 15.826 -7.150 1.00 0.00 H new ATOM 0 HA SER 2 40 2.248 16.985 -8.235 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.659 14.661 -9.493 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.936 15.528 -10.833 1.00 0.00 H new ATOM 0 HG SER 2 40 4.242 15.786 -10.764 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.549 17.051 -9.837 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.502 17.896 -10.538 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.754 19.180 -9.745 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.798 20.268 -10.317 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.830 17.168 -10.754 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.597 15.709 -11.150 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.821 15.133 -11.866 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.973 15.082 -10.938 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -6.250 14.984 -11.331 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.546 14.925 -12.636 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -7.231 14.943 -10.419 1.00 0.00 N ATOM 0 H ARG 2 41 -0.930 16.166 -9.501 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.075 18.143 -11.510 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.425 17.210 -9.842 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.403 17.673 -11.532 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.725 15.640 -11.800 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.379 15.117 -10.261 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.068 15.747 -12.732 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -3.598 14.133 -12.237 1.00 0.00 H new ATOM 0 HE ARG 2 41 -4.783 15.124 -9.937 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.799 14.955 -13.330 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -7.518 14.850 -12.936 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -7.006 14.986 -9.425 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -8.203 14.868 -10.719 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.913 19.011 -8.441 1.00 0.00 N ATOM 1479 CA ILE 2 42 -2.160 20.143 -7.564 1.00 0.00 C ATOM 1480 C ILE 2 42 -1.042 20.230 -6.523 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.953 19.389 -5.630 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.561 20.054 -6.956 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.541 19.398 -7.929 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -4.046 21.429 -6.493 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.958 19.941 -7.731 1.00 0.00 C ATOM 0 H ILE 2 42 -1.876 18.107 -7.970 1.00 0.00 H new ATOM 0 HA ILE 2 42 -2.142 21.074 -8.130 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.510 19.417 -6.073 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.218 19.580 -8.954 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.538 18.318 -7.781 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -5.044 21.338 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -3.363 21.821 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -4.077 22.109 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.635 19.458 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -6.287 19.736 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.963 21.017 -7.904 1.00 0.00 H new ATOM 1497 N PRO 2 43 -0.194 21.283 -6.678 1.00 0.00 N ATOM 1498 CA PRO 2 43 0.915 21.491 -5.762 1.00 0.00 C ATOM 1499 C PRO 2 43 0.423 22.039 -4.421 1.00 0.00 C ATOM 1500 O PRO 2 43 1.207 22.197 -3.486 1.00 0.00 O ATOM 1501 CB PRO 2 43 1.850 22.445 -6.487 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.015 23.099 -7.577 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.268 22.298 -7.723 1.00 0.00 C ATOM 0 HA PRO 2 43 1.431 20.565 -5.508 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.253 23.192 -5.803 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.699 21.911 -6.913 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 0.792 24.134 -7.318 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.563 23.117 -8.519 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -1.146 22.931 -7.598 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.341 21.844 -8.711 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.872 22.313 -4.369 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.477 22.840 -3.157 1.00 0.00 C ATOM 1513 C GLY 2 44 -2.078 21.715 -2.311 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.578 21.959 -1.214 1.00 0.00 O ATOM 0 H GLY 2 44 -1.519 22.180 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.727 23.377 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -2.254 23.559 -3.417 1.00 0.00 H new ATOM 1518 N VAL 2 45 -2.008 20.508 -2.853 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.538 19.346 -2.161 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.413 18.334 -1.936 1.00 0.00 C ATOM 1521 O VAL 2 45 -0.261 18.593 -2.284 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.717 18.765 -2.943 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.483 19.865 -3.680 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.249 17.678 -3.914 1.00 0.00 C ATOM 0 H VAL 2 45 -1.592 20.310 -3.763 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.922 19.628 -1.181 1.00 0.00 H new ATOM 0 HB VAL 2 45 -4.398 18.305 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -5.316 19.424 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.865 20.588 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.815 20.368 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.107 17.282 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.537 18.104 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.770 16.874 -3.356 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.795 17.173 -1.340 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.830 16.121 -1.064 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.449 15.379 -2.346 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.296 14.750 -2.979 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.506 15.227 -0.038 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.990 15.543 -0.123 1.00 0.00 C ATOM 1540 CD PRO 2 46 -3.148 16.832 -0.913 1.00 0.00 C ATOM 0 HA PRO 2 46 0.114 16.505 -0.677 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.318 14.175 -0.252 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -1.122 15.422 0.963 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.526 14.729 -0.610 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -3.415 15.652 0.875 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.810 16.694 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.581 17.622 -0.299 1.00 0.00 H new ATOM 1548 N TRP 2 47 0.827 15.475 -2.690 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.331 14.819 -3.885 1.00 0.00 C ATOM 1550 C TRP 2 47 1.783 13.410 -3.496 1.00 0.00 C ATOM 1551 O TRP 2 47 2.689 12.852 -4.114 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.443 15.645 -4.536 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.534 17.082 -4.018 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 1.763 18.127 -4.345 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.489 17.592 -3.062 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.148 19.270 -3.673 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.230 18.933 -2.868 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.535 16.942 -2.385 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 3.974 19.739 -1.998 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.269 17.761 -1.518 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.021 19.112 -1.312 1.00 0.00 C ATOM 0 H TRP 2 47 1.527 15.997 -2.162 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.549 14.738 -4.640 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.398 15.147 -4.367 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.282 15.667 -5.614 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 0.943 18.081 -5.046 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 1.718 20.191 -3.753 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 4.755 15.894 -2.522 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 3.752 20.787 -1.863 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.085 17.311 -0.972 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 5.634 19.677 -0.625 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.131 12.874 -2.474 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.455 11.541 -1.995 1.00 0.00 C ATOM 1574 C CYS 2 48 0.371 11.111 -1.004 1.00 0.00 C ATOM 1575 O CYS 2 48 0.259 11.677 0.082 1.00 0.00 O ATOM 1576 CB CYS 2 48 2.852 11.487 -1.374 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.535 9.801 -1.170 1.00 0.00 S ATOM 0 H CYS 2 48 0.380 13.339 -1.964 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.476 10.845 -2.833 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.534 12.067 -1.996 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 2.820 11.972 -0.398 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.398 10.113 -1.414 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.469 9.600 -0.576 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.705 8.112 -0.839 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.916 7.466 -1.527 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.734 10.377 -0.941 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.762 10.878 -2.387 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.925 11.876 -2.777 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.624 10.326 -3.281 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.951 12.341 -4.118 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.650 10.790 -4.623 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.812 11.788 -5.013 1.00 0.00 C ATOM 0 H PHE 2 49 -0.301 9.646 -2.315 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.208 9.719 0.476 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.601 9.739 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.830 11.230 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.240 12.315 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.290 9.534 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.287 13.134 -4.427 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.335 10.351 -5.333 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.831 12.141 -6.034 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.794 7.610 -0.277 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.145 6.210 -0.441 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.566 6.107 -0.999 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.487 5.697 -0.293 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.943 5.448 0.870 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.980 6.400 2.068 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.573 6.885 2.427 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.616 5.704 2.604 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.323 4.547 3.196 1.00 0.00 N ATOM 0 H LYS 2 50 -3.446 8.149 0.293 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.482 5.734 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.720 4.691 0.978 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.988 4.924 0.847 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.616 7.255 1.838 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.424 5.894 2.925 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.201 7.545 1.644 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.609 7.470 3.346 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.193 5.424 1.639 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.216 5.996 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.664 4.004 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -2.115 4.885 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.688 3.938 2.436 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.705 6.494 -2.295 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.998 6.449 -2.956 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.383 5.011 -3.309 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.871 4.268 -2.458 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.847 7.340 -4.178 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.351 7.478 -4.411 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.638 6.984 -3.163 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.808 6.804 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.338 6.900 -5.046 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.308 8.314 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.045 6.897 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.090 8.517 -4.614 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.926 6.193 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.076 7.786 -2.685 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.151 4.661 -4.565 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.468 3.326 -5.041 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.234 2.432 -4.900 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.031 1.517 -5.696 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.026 3.382 -6.464 1.00 0.00 C ATOM 1643 CG LEU 2 52 -5.998 3.276 -7.593 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.311 2.094 -8.512 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -5.897 4.592 -8.367 1.00 0.00 C ATOM 0 H LEU 2 52 -5.747 5.279 -5.268 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.256 2.882 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -7.749 2.575 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.571 4.318 -6.583 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.021 3.087 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.565 2.042 -9.305 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.292 1.169 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.299 2.227 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.160 4.490 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -6.867 4.835 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -5.592 5.390 -7.690 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.441 2.730 -3.881 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.232 1.964 -3.625 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.515 0.467 -3.754 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.604 -0.320 -4.012 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.654 2.297 -2.248 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.225 3.764 -2.172 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.186 4.087 -3.248 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.204 5.137 -3.868 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.283 3.128 -3.433 1.00 0.00 N ATOM 0 H GLN 2 53 -4.612 3.491 -3.223 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.486 2.238 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.398 2.092 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.798 1.653 -2.044 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.095 4.408 -2.297 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.811 3.975 -1.186 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.326 2.273 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.453 3.248 -4.129 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.779 0.117 -3.571 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.193 -1.273 -3.664 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.431 -1.979 -4.787 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.231 -3.192 -4.740 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.704 -1.383 -3.873 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.085 -1.038 -5.314 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.541 -0.578 -5.402 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.763 0.640 -5.231 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.401 -1.455 -5.638 1.00 0.00 O ATOM 0 H GLU 2 54 -5.531 0.772 -3.359 1.00 0.00 H new ATOM 0 HA GLU 2 54 -4.954 -1.767 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.034 -2.395 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.220 -0.712 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -6.429 -0.253 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.936 -1.909 -5.952 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.028 -1.190 -5.772 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.292 -1.724 -6.906 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.478 -2.938 -6.454 1.00 0.00 C ATOM 1692 O ALA 2 55 -2.657 -4.038 -6.974 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.415 -0.625 -7.509 1.00 0.00 C ATOM 0 H ALA 2 55 -4.197 -0.185 -5.809 1.00 0.00 H new ATOM 0 HA ALA 2 55 -3.977 -2.058 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -1.863 -1.026 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.044 0.201 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -1.712 -0.266 -6.757 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.602 -2.698 -5.490 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.760 -3.758 -4.962 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.495 -3.533 -3.473 1.00 0.00 C ATOM 1702 O GLU 2 56 0.434 -4.111 -2.909 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.551 -3.858 -5.744 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.627 -5.173 -6.522 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.418 -4.998 -7.819 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.790 -4.572 -8.813 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 2.632 -5.294 -7.788 1.00 0.00 O ATOM 0 H GLU 2 56 -1.457 -1.784 -5.060 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.286 -4.705 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.632 -3.018 -6.434 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.394 -3.789 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 1.098 -5.938 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.380 -5.523 -6.750 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.326 -2.691 -2.876 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.192 -2.382 -1.463 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.097 -3.332 -0.675 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.613 -4.213 0.033 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.514 -0.915 -1.171 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.113 0.061 -0.513 1.00 0.00 S ATOM 0 H CYS 2 57 -2.095 -2.213 -3.346 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.157 -2.527 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.867 -0.445 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.335 -0.873 -0.456 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.397 -3.121 -0.826 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.374 -3.947 -0.138 1.00 0.00 C ATOM 1726 C THR 2 58 -4.244 -5.406 -0.580 1.00 0.00 C ATOM 1727 O THR 2 58 -4.328 -6.317 0.243 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.761 -3.355 -0.399 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.588 -3.957 0.594 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.362 -3.830 -1.723 1.00 0.00 C ATOM 0 H THR 2 58 -3.796 -2.390 -1.415 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.202 -3.949 0.938 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.696 -2.267 -0.400 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.506 -3.628 0.499 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.346 -3.380 -1.858 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.711 -3.533 -2.545 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.458 -4.916 -1.710 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.041 -5.582 -1.877 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.899 -6.915 -2.437 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.856 -7.726 -1.665 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.267 -8.661 -2.205 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.426 -6.745 -3.882 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.559 -6.738 -4.911 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.618 -5.902 -4.750 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.505 -7.569 -5.987 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.670 -5.895 -5.704 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.556 -7.562 -6.942 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.616 -6.726 -6.780 1.00 0.00 C ATOM 0 H PHE 2 59 -3.971 -4.824 -2.556 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.849 -7.446 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.869 -5.812 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.734 -7.552 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.660 -5.242 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.663 -8.234 -6.115 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.512 -5.231 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.513 -8.221 -7.797 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.416 -6.722 -7.506 1.00 0.00 H new