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 30:sc= -2.9! USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.0588 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.504 F(o=-2.7!,f=-0.5) USER MOD Single : 1 33 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.1) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.301 USER MOD Single : 1 40 SER OG : rot 114:sc= 0.273 USER MOD Single : 1 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 53 GLN : amide:sc= -12.1! C(o=-12!,f=-19!) USER MOD Single : 1 58 THR OG1 : rot -170:sc= -1.02 USER MOD Single : 2 23 TYR OH : rot -156:sc= -1.05 USER MOD Single : 2 25 HIS : no HD1:sc=-0.00137 X(o=-0.0014,f=0) USER MOD Single : 2 27 THR OG1 : rot 61:sc= 0.0266 USER MOD Single : 2 29 LYS NZ :NH3+ 160:sc= -0.0123 (180deg=-0.173) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.116 F(o=-1.2,f=-0.12) USER MOD Single : 2 33 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1.6!) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.093 USER MOD Single : 2 40 SER OG : rot 114:sc= 0.491 USER MOD Single : 2 50 LYS NZ :NH3+ -152:sc= -3.78! (180deg=-5.17!) USER MOD Single : 2 53 GLN : amide:sc= -11.7! C(o=-12!,f=-18!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -3.25! USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.934 -16.701 -1.922 1.00 0.00 N ATOM 229 CA ASP 1 17 0.816 -16.027 -2.562 1.00 0.00 C ATOM 230 C ASP 1 17 0.990 -14.514 -2.422 1.00 0.00 C ATOM 231 O ASP 1 17 0.065 -13.752 -2.695 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.509 -16.414 -1.903 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.753 -16.171 -2.761 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.636 -16.351 -3.993 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.791 -15.811 -2.166 1.00 0.00 O ATOM 0 HA ASP 1 17 0.798 -16.324 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.470 -17.470 -1.637 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.612 -15.854 -0.973 1.00 0.00 H new ATOM 240 N ARG 1 18 2.183 -14.124 -1.996 1.00 0.00 N ATOM 241 CA ARG 1 18 2.489 -12.716 -1.816 1.00 0.00 C ATOM 242 C ARG 1 18 3.073 -12.131 -3.104 1.00 0.00 C ATOM 243 O ARG 1 18 3.318 -12.858 -4.065 1.00 0.00 O ATOM 244 CB ARG 1 18 3.486 -12.510 -0.674 1.00 0.00 C ATOM 245 CG ARG 1 18 3.046 -13.268 0.581 1.00 0.00 C ATOM 246 CD ARG 1 18 4.252 -13.853 1.318 1.00 0.00 C ATOM 247 NE ARG 1 18 3.831 -14.391 2.631 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.637 -14.496 3.695 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.915 -14.098 3.609 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.168 -14.997 4.846 1.00 0.00 N ATOM 0 H ARG 1 18 2.949 -14.759 -1.771 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.559 -12.204 -1.568 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.474 -12.852 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.573 -11.447 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.501 -12.596 1.244 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.360 -14.069 0.305 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.705 -14.644 0.720 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.011 -13.084 1.458 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.865 -14.702 2.732 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.272 -13.716 2.733 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.530 -14.178 4.419 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.196 -15.299 4.912 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.783 -15.076 5.656 1.00 0.00 H new ATOM 264 N VAL 1 19 3.277 -10.821 -3.082 1.00 0.00 N ATOM 265 CA VAL 1 19 3.827 -10.131 -4.236 1.00 0.00 C ATOM 266 C VAL 1 19 5.255 -9.681 -3.923 1.00 0.00 C ATOM 267 O VAL 1 19 5.774 -8.764 -4.558 1.00 0.00 O ATOM 268 CB VAL 1 19 2.910 -8.973 -4.639 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.182 -8.534 -6.079 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.439 -9.347 -4.449 1.00 0.00 C ATOM 0 H VAL 1 19 3.071 -10.220 -2.284 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.878 -10.802 -5.094 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.129 -8.129 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.517 -7.710 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.218 -8.207 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.005 -9.371 -6.754 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.809 -8.507 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.201 -10.213 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.257 -9.588 -3.402 1.00 0.00 H new ATOM 280 N ASP 1 20 5.850 -10.348 -2.946 1.00 0.00 N ATOM 281 CA ASP 1 20 7.209 -10.028 -2.541 1.00 0.00 C ATOM 282 C ASP 1 20 7.458 -8.532 -2.743 1.00 0.00 C ATOM 283 O ASP 1 20 7.914 -8.113 -3.806 1.00 0.00 O ATOM 284 CB ASP 1 20 8.230 -10.795 -3.384 1.00 0.00 C ATOM 285 CG ASP 1 20 9.581 -10.098 -3.556 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.284 -9.963 -2.532 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.880 -9.716 -4.708 1.00 0.00 O ATOM 0 H ASP 1 20 5.417 -11.109 -2.423 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.323 -10.307 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.397 -11.770 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.803 -10.975 -4.371 1.00 0.00 H new ATOM 292 N CYS 1 21 7.148 -7.767 -1.706 1.00 0.00 N ATOM 293 CA CYS 1 21 7.333 -6.327 -1.756 1.00 0.00 C ATOM 294 C CYS 1 21 8.765 -6.042 -2.214 1.00 0.00 C ATOM 295 O CYS 1 21 9.015 -5.053 -2.901 1.00 0.00 O ATOM 296 CB CYS 1 21 7.022 -5.669 -0.410 1.00 0.00 C ATOM 297 SG CYS 1 21 6.110 -4.088 -0.520 1.00 0.00 S ATOM 0 H CYS 1 21 6.770 -8.118 -0.826 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.632 -5.892 -2.468 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.440 -6.366 0.193 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 7.959 -5.495 0.118 1.00 0.00 H new ATOM 302 N GLY 1 22 9.667 -6.927 -1.815 1.00 0.00 N ATOM 303 CA GLY 1 22 11.067 -6.782 -2.176 1.00 0.00 C ATOM 304 C GLY 1 22 11.597 -5.405 -1.774 1.00 0.00 C ATOM 305 O GLY 1 22 12.083 -4.652 -2.617 1.00 0.00 O ATOM 0 H GLY 1 22 9.456 -7.746 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.655 -7.559 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.186 -6.922 -3.250 1.00 0.00 H new ATOM 309 N TYR 1 23 11.487 -5.118 -0.485 1.00 0.00 N ATOM 310 CA TYR 1 23 11.949 -3.844 0.040 1.00 0.00 C ATOM 311 C TYR 1 23 13.413 -3.931 0.479 1.00 0.00 C ATOM 312 O TYR 1 23 13.849 -4.957 0.999 1.00 0.00 O ATOM 313 CB TYR 1 23 11.079 -3.550 1.263 1.00 0.00 C ATOM 314 CG TYR 1 23 10.593 -2.103 1.347 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.080 -1.480 0.228 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.668 -1.418 2.545 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.622 -0.117 0.308 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.211 -0.056 2.624 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.710 0.528 1.502 1.00 0.00 C ATOM 320 OH TYR 1 23 9.277 1.815 1.577 1.00 0.00 O ATOM 0 H TYR 1 23 11.085 -5.746 0.211 1.00 0.00 H new ATOM 0 HA TYR 1 23 11.876 -3.067 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.214 -4.213 1.248 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.645 -3.785 2.164 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.022 -2.015 -0.708 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.069 -1.905 3.421 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.218 0.382 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.265 0.491 3.554 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.554 1.955 0.931 1.00 0.00 H new ATOM 330 N PRO 1 24 14.150 -2.812 0.247 1.00 0.00 N ATOM 331 CA PRO 1 24 15.556 -2.752 0.613 1.00 0.00 C ATOM 332 C PRO 1 24 15.722 -2.590 2.125 1.00 0.00 C ATOM 333 O PRO 1 24 16.830 -2.701 2.647 1.00 0.00 O ATOM 334 CB PRO 1 24 16.118 -1.581 -0.175 1.00 0.00 C ATOM 335 CG PRO 1 24 14.918 -0.745 -0.591 1.00 0.00 C ATOM 336 CD PRO 1 24 13.668 -1.578 -0.367 1.00 0.00 C ATOM 0 HA PRO 1 24 16.093 -3.670 0.373 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.809 -0.997 0.433 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.674 -1.927 -1.046 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.873 0.175 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.000 -0.454 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 12.960 -1.063 0.282 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.152 -1.778 -1.306 1.00 0.00 H new ATOM 344 N HIS 1 25 14.604 -2.331 2.787 1.00 0.00 N ATOM 345 CA HIS 1 25 14.611 -2.153 4.229 1.00 0.00 C ATOM 346 C HIS 1 25 13.522 -3.022 4.859 1.00 0.00 C ATOM 347 O HIS 1 25 12.786 -2.566 5.734 1.00 0.00 O ATOM 348 CB HIS 1 25 14.474 -0.674 4.595 1.00 0.00 C ATOM 349 CG HIS 1 25 15.787 0.072 4.641 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.676 -0.040 5.695 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.351 0.939 3.751 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.724 0.730 5.441 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.521 1.336 4.237 1.00 0.00 N ATOM 0 H HIS 1 25 13.686 -2.240 2.351 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.568 -2.481 4.634 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.818 -0.190 3.871 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.988 -0.594 5.568 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.919 1.249 2.811 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.588 0.856 6.077 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.162 1.987 3.784 1.00 0.00 H new ATOM 362 N VAL 1 26 13.452 -4.260 4.392 1.00 0.00 N ATOM 363 CA VAL 1 26 12.466 -5.198 4.899 1.00 0.00 C ATOM 364 C VAL 1 26 12.707 -5.427 6.392 1.00 0.00 C ATOM 365 O VAL 1 26 13.783 -5.869 6.791 1.00 0.00 O ATOM 366 CB VAL 1 26 12.503 -6.491 4.082 1.00 0.00 C ATOM 367 CG1 VAL 1 26 13.943 -6.891 3.755 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.772 -7.621 4.809 1.00 0.00 C ATOM 0 H VAL 1 26 14.063 -4.635 3.667 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.461 -4.790 4.790 1.00 0.00 H new ATOM 0 HB VAL 1 26 11.984 -6.308 3.141 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 13.941 -7.813 3.174 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.418 -6.099 3.177 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.497 -7.047 4.681 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.814 -8.528 4.206 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.249 -7.803 5.772 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.731 -7.338 4.968 1.00 0.00 H new ATOM 378 N THR 1 27 11.686 -5.117 7.178 1.00 0.00 N ATOM 379 CA THR 1 27 11.773 -5.285 8.619 1.00 0.00 C ATOM 380 C THR 1 27 10.393 -5.121 9.259 1.00 0.00 C ATOM 381 O THR 1 27 9.528 -4.440 8.711 1.00 0.00 O ATOM 382 CB THR 1 27 12.810 -4.292 9.148 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.732 -5.105 9.870 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.234 -3.352 10.208 1.00 0.00 C ATOM 0 H THR 1 27 10.795 -4.751 6.844 1.00 0.00 H new ATOM 0 HA THR 1 27 12.101 -6.291 8.881 1.00 0.00 H new ATOM 0 HB THR 1 27 13.206 -3.705 8.319 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.440 -4.542 10.246 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.011 -2.668 10.549 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.411 -2.780 9.779 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.868 -3.936 11.052 1.00 0.00 H new ATOM 392 N PRO 1 28 10.227 -5.773 10.441 1.00 0.00 N ATOM 393 CA PRO 1 28 8.967 -5.706 11.162 1.00 0.00 C ATOM 394 C PRO 1 28 8.800 -4.349 11.848 1.00 0.00 C ATOM 395 O PRO 1 28 8.650 -4.279 13.067 1.00 0.00 O ATOM 396 CB PRO 1 28 9.013 -6.866 12.143 1.00 0.00 C ATOM 397 CG PRO 1 28 10.478 -7.254 12.261 1.00 0.00 C ATOM 398 CD PRO 1 28 11.230 -6.588 11.119 1.00 0.00 C ATOM 0 HA PRO 1 28 8.101 -5.791 10.505 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.607 -6.575 13.112 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.415 -7.704 11.785 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.881 -6.934 13.222 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.591 -8.337 12.212 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.053 -5.976 11.490 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.661 -7.327 10.444 1.00 0.00 H new ATOM 406 N LYS 1 29 8.830 -3.303 11.035 1.00 0.00 N ATOM 407 CA LYS 1 29 8.684 -1.951 11.548 1.00 0.00 C ATOM 408 C LYS 1 29 8.774 -0.957 10.389 1.00 0.00 C ATOM 409 O LYS 1 29 8.213 0.136 10.459 1.00 0.00 O ATOM 410 CB LYS 1 29 9.699 -1.689 12.662 1.00 0.00 C ATOM 411 CG LYS 1 29 9.541 -0.275 13.226 1.00 0.00 C ATOM 412 CD LYS 1 29 9.757 -0.259 14.740 1.00 0.00 C ATOM 413 CE LYS 1 29 8.597 0.438 15.453 1.00 0.00 C ATOM 414 NZ LYS 1 29 9.107 1.438 16.417 1.00 0.00 N ATOM 0 H LYS 1 29 8.953 -3.364 10.024 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.703 -1.821 12.004 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.566 -2.420 13.460 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.710 -1.820 12.276 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.256 0.393 12.746 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.546 0.104 12.993 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.853 -1.281 15.108 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.691 0.253 14.972 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.953 0.925 14.721 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.987 -0.300 15.974 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 8.307 1.902 16.892 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.703 0.965 17.126 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 9.670 2.152 15.912 1.00 0.00 H new ATOM 428 N GLU 1 30 9.481 -1.372 9.349 1.00 0.00 N ATOM 429 CA GLU 1 30 9.651 -0.532 8.175 1.00 0.00 C ATOM 430 C GLU 1 30 8.639 -0.918 7.095 1.00 0.00 C ATOM 431 O GLU 1 30 7.995 -0.051 6.505 1.00 0.00 O ATOM 432 CB GLU 1 30 11.082 -0.619 7.642 1.00 0.00 C ATOM 433 CG GLU 1 30 11.885 0.627 8.020 1.00 0.00 C ATOM 434 CD GLU 1 30 12.512 0.475 9.408 1.00 0.00 C ATOM 435 OE1 GLU 1 30 11.755 0.615 10.392 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.735 0.220 9.453 1.00 0.00 O ATOM 0 H GLU 1 30 9.943 -2.280 9.294 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.468 0.503 8.463 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.570 -1.507 8.044 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.064 -0.729 6.558 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.667 0.798 7.280 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.235 1.502 8.005 1.00 0.00 H new ATOM 443 N CYS 1 31 8.528 -2.219 6.870 1.00 0.00 N ATOM 444 CA CYS 1 31 7.605 -2.730 5.872 1.00 0.00 C ATOM 445 C CYS 1 31 6.181 -2.382 6.311 1.00 0.00 C ATOM 446 O CYS 1 31 5.438 -1.739 5.571 1.00 0.00 O ATOM 447 CB CYS 1 31 7.784 -4.234 5.653 1.00 0.00 C ATOM 448 SG CYS 1 31 9.039 -4.683 4.401 1.00 0.00 S ATOM 0 H CYS 1 31 9.063 -2.935 7.362 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.811 -2.263 4.909 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.057 -4.695 6.602 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.826 -4.660 5.356 1.00 0.00 H new ATOM 453 N ASN 1 32 5.842 -2.823 7.514 1.00 0.00 N ATOM 454 CA ASN 1 32 4.521 -2.567 8.061 1.00 0.00 C ATOM 455 C ASN 1 32 4.318 -1.058 8.206 1.00 0.00 C ATOM 456 O ASN 1 32 3.220 -0.603 8.520 1.00 0.00 O ATOM 457 CB ASN 1 32 4.366 -3.200 9.445 1.00 0.00 C ATOM 458 CG ASN 1 32 3.681 -4.564 9.351 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.338 -5.450 8.609 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.624 -4.797 9.915 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.460 -3.356 8.125 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.785 -2.999 7.383 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.346 -3.313 9.909 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.783 -2.540 10.087 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.171 -4.071 10.470 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.193 -5.718 9.831 1.00 0.00 H new ATOM 467 N ASN 1 33 5.395 -0.322 7.968 1.00 0.00 N ATOM 468 CA ASN 1 33 5.348 1.126 8.067 1.00 0.00 C ATOM 469 C ASN 1 33 5.365 1.731 6.662 1.00 0.00 C ATOM 470 O ASN 1 33 4.884 2.844 6.455 1.00 0.00 O ATOM 471 CB ASN 1 33 6.561 1.666 8.828 1.00 0.00 C ATOM 472 CG ASN 1 33 6.614 3.193 8.764 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.745 3.892 9.259 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.679 3.671 8.126 1.00 0.00 N ATOM 0 H ASN 1 33 6.305 -0.702 7.707 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.437 1.397 8.600 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.515 1.344 9.868 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.475 1.249 8.405 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.805 4.678 8.028 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.369 3.030 7.735 1.00 0.00 H new ATOM 481 N ARG 1 34 5.923 0.970 5.731 1.00 0.00 N ATOM 482 CA ARG 1 34 6.009 1.417 4.351 1.00 0.00 C ATOM 483 C ARG 1 34 4.742 1.025 3.587 1.00 0.00 C ATOM 484 O ARG 1 34 4.385 1.669 2.602 1.00 0.00 O ATOM 485 CB ARG 1 34 7.227 0.810 3.651 1.00 0.00 C ATOM 486 CG ARG 1 34 6.851 -0.477 2.914 1.00 0.00 C ATOM 487 CD ARG 1 34 6.534 -0.193 1.443 1.00 0.00 C ATOM 488 NE ARG 1 34 5.175 -0.677 1.116 1.00 0.00 N ATOM 489 CZ ARG 1 34 4.781 -1.041 -0.112 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.642 -0.977 -1.136 1.00 0.00 N ATOM 491 NH2 ARG 1 34 3.528 -1.467 -0.316 1.00 0.00 N ATOM 0 H ARG 1 34 6.320 0.047 5.906 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.112 2.502 4.359 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.641 1.530 2.945 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.005 0.599 4.385 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.671 -1.192 2.982 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 5.987 -0.936 3.394 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 6.605 0.877 1.247 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 7.267 -0.683 0.803 1.00 0.00 H new ATOM 0 HE ARG 1 34 4.495 -0.738 1.873 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 6.596 -0.652 -0.981 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.344 -1.254 -2.071 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 2.872 -1.515 0.464 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 3.229 -1.744 -1.251 1.00 0.00 H new ATOM 505 N GLY 1 35 4.100 -0.027 4.071 1.00 0.00 N ATOM 506 CA GLY 1 35 2.881 -0.511 3.446 1.00 0.00 C ATOM 507 C GLY 1 35 3.017 -1.982 3.044 1.00 0.00 C ATOM 508 O GLY 1 35 2.291 -2.461 2.174 1.00 0.00 O ATOM 0 H GLY 1 35 4.401 -0.558 4.888 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.044 -0.394 4.135 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.656 0.091 2.566 1.00 0.00 H new ATOM 512 N CYS 1 36 3.952 -2.656 3.697 1.00 0.00 N ATOM 513 CA CYS 1 36 4.192 -4.062 3.420 1.00 0.00 C ATOM 514 C CYS 1 36 3.968 -4.852 4.710 1.00 0.00 C ATOM 515 O CYS 1 36 3.726 -4.268 5.765 1.00 0.00 O ATOM 516 CB CYS 1 36 5.591 -4.294 2.845 1.00 0.00 C ATOM 517 SG CYS 1 36 5.920 -3.440 1.259 1.00 0.00 S ATOM 0 H CYS 1 36 4.552 -2.255 4.417 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.494 -4.409 2.658 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.329 -3.967 3.578 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.737 -5.365 2.702 1.00 0.00 H new ATOM 522 N CYS 1 37 4.056 -6.168 4.585 1.00 0.00 N ATOM 523 CA CYS 1 37 3.865 -7.044 5.728 1.00 0.00 C ATOM 524 C CYS 1 37 5.124 -7.899 5.893 1.00 0.00 C ATOM 525 O CYS 1 37 5.543 -8.579 4.957 1.00 0.00 O ATOM 526 CB CYS 1 37 2.608 -7.903 5.579 1.00 0.00 C ATOM 527 SG CYS 1 37 1.913 -8.525 7.154 1.00 0.00 S ATOM 0 H CYS 1 37 4.257 -6.649 3.708 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.712 -6.446 6.626 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.844 -7.318 5.067 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.840 -8.754 4.939 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.853 -9.236 6.910 1.00 0.00 H new ATOM 532 N PHE 1 38 5.690 -7.836 7.089 1.00 0.00 N ATOM 533 CA PHE 1 38 6.892 -8.596 7.389 1.00 0.00 C ATOM 534 C PHE 1 38 6.543 -9.970 7.964 1.00 0.00 C ATOM 535 O PHE 1 38 5.857 -10.065 8.981 1.00 0.00 O ATOM 536 CB PHE 1 38 7.675 -7.801 8.436 1.00 0.00 C ATOM 537 CG PHE 1 38 9.052 -8.383 8.756 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.107 -8.124 7.938 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.223 -9.159 9.861 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.387 -8.663 8.236 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.502 -9.698 10.158 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.557 -9.440 9.340 1.00 0.00 C ATOM 0 H PHE 1 38 5.339 -7.271 7.862 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.471 -8.750 6.479 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.798 -6.777 8.083 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.089 -7.754 9.354 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.972 -7.508 7.061 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.386 -9.365 10.512 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.225 -8.456 7.587 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.637 -10.314 11.035 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.529 -9.852 9.566 1.00 0.00 H new ATOM 552 N ASP 1 39 7.030 -11.000 7.289 1.00 0.00 N ATOM 553 CA ASP 1 39 6.779 -12.365 7.721 1.00 0.00 C ATOM 554 C ASP 1 39 7.891 -12.807 8.673 1.00 0.00 C ATOM 555 O ASP 1 39 7.736 -12.736 9.891 1.00 0.00 O ATOM 556 CB ASP 1 39 6.765 -13.325 6.530 1.00 0.00 C ATOM 557 CG ASP 1 39 6.687 -14.808 6.897 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.627 -15.207 7.425 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.690 -15.510 6.641 1.00 0.00 O ATOM 0 H ASP 1 39 7.598 -10.917 6.445 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.808 -12.390 8.215 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.915 -13.078 5.894 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.665 -13.159 5.938 1.00 0.00 H new ATOM 564 N SER 1 40 8.989 -13.255 8.081 1.00 0.00 N ATOM 565 CA SER 1 40 10.127 -13.709 8.862 1.00 0.00 C ATOM 566 C SER 1 40 9.988 -15.201 9.172 1.00 0.00 C ATOM 567 O SER 1 40 10.959 -15.853 9.552 1.00 0.00 O ATOM 568 CB SER 1 40 10.262 -12.908 10.159 1.00 0.00 C ATOM 569 OG SER 1 40 11.623 -12.729 10.538 1.00 0.00 O ATOM 0 H SER 1 40 9.114 -13.313 7.070 1.00 0.00 H new ATOM 0 HA SER 1 40 11.030 -13.549 8.273 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.790 -11.934 10.034 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.728 -13.421 10.959 1.00 0.00 H new ATOM 0 HG SER 1 40 11.856 -11.779 10.481 1.00 0.00 H new ATOM 575 N ARG 1 41 8.772 -15.697 8.998 1.00 0.00 N ATOM 576 CA ARG 1 41 8.493 -17.100 9.255 1.00 0.00 C ATOM 577 C ARG 1 41 9.388 -17.987 8.388 1.00 0.00 C ATOM 578 O ARG 1 41 10.119 -18.831 8.905 1.00 0.00 O ATOM 579 CB ARG 1 41 7.026 -17.431 8.966 1.00 0.00 C ATOM 580 CG ARG 1 41 6.102 -16.752 9.979 1.00 0.00 C ATOM 581 CD ARG 1 41 5.116 -17.757 10.580 1.00 0.00 C ATOM 582 NE ARG 1 41 5.837 -18.719 11.443 1.00 0.00 N ATOM 583 CZ ARG 1 41 5.235 -19.590 12.264 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.898 -19.622 12.342 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.969 -20.426 13.009 1.00 0.00 N ATOM 0 H ARG 1 41 7.969 -15.153 8.682 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.697 -17.291 10.308 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.768 -17.106 7.958 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.879 -18.511 9.001 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.696 -16.300 10.773 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.554 -15.945 9.493 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 4.358 -17.232 11.161 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.596 -18.289 9.784 1.00 0.00 H new ATOM 0 HE ARG 1 41 6.856 -18.719 11.411 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 3.339 -18.983 11.776 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 3.439 -20.285 12.967 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 6.987 -20.400 12.952 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 5.510 -21.089 13.634 1.00 0.00 H new ATOM 599 N ILE 1 42 9.304 -17.765 7.085 1.00 0.00 N ATOM 600 CA ILE 1 42 10.098 -18.533 6.141 1.00 0.00 C ATOM 601 C ILE 1 42 11.116 -17.610 5.468 1.00 0.00 C ATOM 602 O ILE 1 42 10.750 -16.575 4.916 1.00 0.00 O ATOM 603 CB ILE 1 42 9.191 -19.272 5.155 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.758 -19.355 5.684 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.758 -20.653 4.817 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.883 -20.209 4.764 1.00 0.00 C ATOM 0 H ILE 1 42 8.698 -17.063 6.660 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.664 -19.307 6.660 1.00 0.00 H new ATOM 0 HB ILE 1 42 9.159 -18.701 4.227 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.761 -19.781 6.687 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.337 -18.353 5.764 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.094 -21.157 4.115 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.745 -20.541 4.367 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.840 -21.246 5.728 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.869 -20.252 5.163 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.863 -19.767 3.768 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.293 -21.217 4.705 1.00 0.00 H new ATOM 618 N PRO 1 43 12.407 -18.032 5.538 1.00 0.00 N ATOM 619 CA PRO 1 43 13.481 -17.255 4.943 1.00 0.00 C ATOM 620 C PRO 1 43 13.481 -17.398 3.419 1.00 0.00 C ATOM 621 O PRO 1 43 14.133 -16.624 2.720 1.00 0.00 O ATOM 622 CB PRO 1 43 14.753 -17.781 5.589 1.00 0.00 C ATOM 623 CG PRO 1 43 14.393 -19.138 6.171 1.00 0.00 C ATOM 624 CD PRO 1 43 12.878 -19.253 6.185 1.00 0.00 C ATOM 0 HA PRO 1 43 13.374 -16.185 5.120 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.555 -17.870 4.856 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 15.105 -17.103 6.367 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.831 -19.938 5.574 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.793 -19.239 7.180 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.543 -20.140 5.647 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.497 -19.334 7.203 1.00 0.00 H new ATOM 632 N GLY 1 44 12.744 -18.394 2.951 1.00 0.00 N ATOM 633 CA GLY 1 44 12.651 -18.649 1.523 1.00 0.00 C ATOM 634 C GLY 1 44 11.492 -17.866 0.901 1.00 0.00 C ATOM 635 O GLY 1 44 11.354 -17.821 -0.320 1.00 0.00 O ATOM 0 H GLY 1 44 12.206 -19.034 3.535 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.586 -18.368 1.038 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.509 -19.716 1.349 1.00 0.00 H new ATOM 639 N VAL 1 45 10.688 -17.271 1.770 1.00 0.00 N ATOM 640 CA VAL 1 45 9.546 -16.493 1.322 1.00 0.00 C ATOM 641 C VAL 1 45 9.839 -15.004 1.517 1.00 0.00 C ATOM 642 O VAL 1 45 10.823 -14.641 2.161 1.00 0.00 O ATOM 643 CB VAL 1 45 8.281 -16.954 2.048 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.816 -15.903 3.059 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.168 -17.288 1.053 1.00 0.00 C ATOM 0 H VAL 1 45 10.805 -17.312 2.782 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.370 -16.652 0.258 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.523 -17.864 2.597 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.915 -16.255 3.562 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.601 -15.735 3.797 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.600 -14.969 2.540 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.280 -17.613 1.596 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.929 -16.403 0.464 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.500 -18.087 0.390 1.00 0.00 H new ATOM 655 N PRO 1 46 8.946 -14.160 0.934 1.00 0.00 N ATOM 656 CA PRO 1 46 9.099 -12.720 1.038 1.00 0.00 C ATOM 657 C PRO 1 46 8.709 -12.226 2.433 1.00 0.00 C ATOM 658 O PRO 1 46 7.547 -12.318 2.825 1.00 0.00 O ATOM 659 CB PRO 1 46 8.219 -12.150 -0.062 1.00 0.00 C ATOM 660 CG PRO 1 46 7.250 -13.260 -0.437 1.00 0.00 C ATOM 661 CD PRO 1 46 7.770 -14.555 0.164 1.00 0.00 C ATOM 0 HA PRO 1 46 10.132 -12.397 0.910 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.685 -11.265 0.284 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.816 -11.846 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.251 -13.038 -0.060 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.170 -13.347 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.020 -15.026 0.800 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.028 -15.276 -0.612 1.00 0.00 H new ATOM 669 N TRP 1 47 9.702 -11.712 3.144 1.00 0.00 N ATOM 670 CA TRP 1 47 9.477 -11.204 4.486 1.00 0.00 C ATOM 671 C TRP 1 47 9.017 -9.749 4.370 1.00 0.00 C ATOM 672 O TRP 1 47 9.252 -8.946 5.271 1.00 0.00 O ATOM 673 CB TRP 1 47 10.728 -11.367 5.351 1.00 0.00 C ATOM 674 CG TRP 1 47 11.812 -12.241 4.718 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.818 -13.574 4.573 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.058 -11.788 4.147 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.972 -14.010 3.953 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.749 -12.889 3.686 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.583 -10.489 4.024 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.004 -12.805 3.070 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.838 -10.422 3.408 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.546 -11.521 2.937 1.00 0.00 C ATOM 0 H TRP 1 47 10.665 -11.637 2.815 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.698 -11.777 4.989 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.145 -10.381 5.558 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.441 -11.799 6.310 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.020 -14.225 4.900 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.210 -14.977 3.732 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.059 -9.613 4.377 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.525 -13.683 2.717 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.288 -9.447 3.290 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.510 -11.385 2.470 1.00 0.00 H new ATOM 693 N CYS 1 48 8.371 -9.455 3.251 1.00 0.00 N ATOM 694 CA CYS 1 48 7.875 -8.110 3.006 1.00 0.00 C ATOM 695 C CYS 1 48 6.992 -8.145 1.757 1.00 0.00 C ATOM 696 O CYS 1 48 7.497 -8.195 0.636 1.00 0.00 O ATOM 697 CB CYS 1 48 9.018 -7.103 2.869 1.00 0.00 C ATOM 698 SG CYS 1 48 8.492 -5.352 2.785 1.00 0.00 S ATOM 0 H CYS 1 48 8.180 -10.123 2.505 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.284 -7.776 3.859 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.694 -7.224 3.715 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.587 -7.340 1.970 1.00 0.00 H new ATOM 703 N PHE 1 49 5.688 -8.116 1.992 1.00 0.00 N ATOM 704 CA PHE 1 49 4.730 -8.144 0.900 1.00 0.00 C ATOM 705 C PHE 1 49 3.568 -7.186 1.167 1.00 0.00 C ATOM 706 O PHE 1 49 3.623 -6.379 2.094 1.00 0.00 O ATOM 707 CB PHE 1 49 4.189 -9.573 0.816 1.00 0.00 C ATOM 708 CG PHE 1 49 4.195 -10.321 2.151 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.376 -10.607 2.764 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.022 -10.700 2.724 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.382 -11.301 4.003 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.029 -11.394 3.963 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.209 -11.679 4.576 1.00 0.00 C ATOM 0 H PHE 1 49 5.273 -8.073 2.923 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.213 -7.837 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.169 -9.542 0.433 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.783 -10.134 0.095 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.308 -10.306 2.309 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.085 -10.473 2.237 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.319 -11.528 4.490 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.097 -11.695 4.418 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.214 -12.206 5.519 1.00 0.00 H new ATOM 723 N LYS 1 50 2.542 -7.306 0.338 1.00 0.00 N ATOM 724 CA LYS 1 50 1.367 -6.460 0.472 1.00 0.00 C ATOM 725 C LYS 1 50 0.130 -7.340 0.657 1.00 0.00 C ATOM 726 O LYS 1 50 -0.728 -7.406 -0.222 1.00 0.00 O ATOM 727 CB LYS 1 50 1.264 -5.495 -0.711 1.00 0.00 C ATOM 728 CG LYS 1 50 1.456 -6.232 -2.039 1.00 0.00 C ATOM 729 CD LYS 1 50 2.724 -5.755 -2.752 1.00 0.00 C ATOM 730 CE LYS 1 50 2.761 -4.228 -2.843 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.924 -3.798 -4.250 1.00 0.00 N ATOM 0 H LYS 1 50 2.499 -7.976 -0.430 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.448 -5.832 1.359 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.291 -5.004 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.017 -4.713 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.518 -7.305 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.590 -6.066 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.603 -6.112 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.765 -6.184 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 1.841 -3.811 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 3.583 -3.841 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.947 -2.759 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.813 -4.181 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.126 -4.151 -4.816 1.00 0.00 H new ATOM 745 N PRO 1 51 0.072 -8.010 1.840 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.046 -8.882 2.152 1.00 0.00 C ATOM 747 C PRO 1 51 -2.291 -8.069 2.515 1.00 0.00 C ATOM 748 O PRO 1 51 -3.020 -7.617 1.632 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.555 -9.758 3.294 1.00 0.00 C ATOM 750 CG PRO 1 51 0.645 -9.036 3.886 1.00 0.00 C ATOM 751 CD PRO 1 51 1.069 -7.956 2.905 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.353 -9.492 1.303 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.335 -9.898 4.042 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.277 -10.749 2.935 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.389 -8.597 4.850 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.463 -9.735 4.061 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.088 -6.975 3.380 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.071 -8.143 2.519 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.495 -7.907 3.813 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.639 -7.156 4.304 1.00 0.00 C ATOM 761 C LEU 1 52 -3.232 -5.696 4.514 1.00 0.00 C ATOM 762 O LEU 1 52 -3.749 -5.028 5.408 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.220 -7.820 5.554 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.802 -7.209 6.893 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.150 -8.142 8.054 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.319 -6.832 6.885 1.00 0.00 C ATOM 0 H LEU 1 52 -1.888 -8.283 4.541 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.443 -7.160 3.568 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.307 -7.788 5.486 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.931 -8.871 5.551 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.367 -6.289 7.039 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.842 -7.684 8.994 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.226 -8.317 8.071 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.630 -9.092 7.926 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.048 -6.400 7.848 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -1.718 -7.723 6.705 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.133 -6.104 6.096 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.310 -5.245 3.677 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.829 -3.876 3.760 1.00 0.00 C ATOM 780 C GLN 1 53 -2.998 -2.896 3.651 1.00 0.00 C ATOM 781 O GLN 1 53 -2.896 -1.752 4.093 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.777 -3.599 2.685 1.00 0.00 C ATOM 783 CG GLN 1 53 0.436 -4.516 2.853 1.00 0.00 C ATOM 784 CD GLN 1 53 0.986 -4.440 4.280 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.739 -3.550 4.635 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.566 -5.421 5.073 1.00 0.00 N ATOM 0 H GLN 1 53 -1.883 -5.803 2.938 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.353 -3.736 4.731 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.214 -3.746 1.697 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.460 -2.558 2.741 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.155 -5.543 2.622 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.213 -4.231 2.144 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.065 -6.135 4.710 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.875 -5.459 6.044 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.081 -3.378 3.060 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.268 -2.558 2.888 1.00 0.00 C ATOM 797 C GLU 1 54 -5.538 -1.742 4.154 1.00 0.00 C ATOM 798 O GLU 1 54 -6.159 -0.681 4.093 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.479 -3.416 2.520 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.108 -4.042 3.767 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.269 -3.190 4.283 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -7.987 -2.264 5.073 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.413 -3.484 3.874 1.00 0.00 O ATOM 0 H GLU 1 54 -4.161 -4.327 2.694 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.091 -1.866 2.064 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.219 -2.804 2.003 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.176 -4.202 1.828 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.464 -5.045 3.534 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.353 -4.145 4.547 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.060 -2.268 5.272 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.242 -1.603 6.550 1.00 0.00 C ATOM 812 C ALA 1 55 -5.053 -0.095 6.367 1.00 0.00 C ATOM 813 O ALA 1 55 -6.021 0.663 6.398 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.271 -2.191 7.576 1.00 0.00 C ATOM 0 H ALA 1 55 -4.546 -3.148 5.319 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.252 -1.766 6.926 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.408 -1.691 8.535 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.465 -3.257 7.691 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.247 -2.044 7.234 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.801 0.293 6.180 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.473 1.697 5.991 1.00 0.00 C ATOM 822 C GLU 1 56 -2.693 1.889 4.689 1.00 0.00 C ATOM 823 O GLU 1 56 -1.926 2.841 4.556 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.689 2.242 7.186 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.457 3.369 7.879 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.154 4.720 7.228 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.130 5.322 7.621 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.951 5.120 6.353 1.00 0.00 O ATOM 0 H GLU 1 56 -3.001 -0.339 6.155 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.403 2.261 5.921 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.497 1.438 7.896 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.719 2.610 6.852 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.527 3.169 7.829 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.188 3.402 8.935 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.915 0.970 3.762 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.243 1.027 2.475 1.00 0.00 C ATOM 837 C CYS 1 57 -3.258 1.475 1.422 1.00 0.00 C ATOM 838 O CYS 1 57 -3.054 2.484 0.747 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.600 -0.313 2.113 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.185 -0.199 0.960 1.00 0.00 S ATOM 0 H CYS 1 57 -3.551 0.181 3.876 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.426 1.747 2.520 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.265 -0.799 3.030 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.360 -0.957 1.670 1.00 0.00 H new ATOM 845 N THR 1 58 -4.331 0.705 1.314 1.00 0.00 N ATOM 846 CA THR 1 58 -5.379 1.010 0.354 1.00 0.00 C ATOM 847 C THR 1 58 -6.100 2.302 0.745 1.00 0.00 C ATOM 848 O THR 1 58 -6.455 3.104 -0.116 1.00 0.00 O ATOM 849 CB THR 1 58 -6.308 -0.202 0.267 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.922 -0.077 -1.013 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.477 -0.116 1.250 1.00 0.00 C ATOM 0 H THR 1 58 -4.497 -0.130 1.876 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.966 1.192 -0.638 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.738 -1.111 0.460 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.652 -0.726 -1.091 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.105 -1.001 1.147 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.093 -0.061 2.268 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.067 0.775 1.036 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.296 2.463 2.046 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.967 3.643 2.562 1.00 0.00 C ATOM 861 C PHE 1 59 -6.639 4.874 1.716 1.00 0.00 C ATOM 862 O PHE 1 59 -5.729 5.633 2.045 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.453 3.864 3.985 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.431 4.616 4.891 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.704 4.161 5.042 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.027 5.739 5.544 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.612 4.859 5.882 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.936 6.436 6.384 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.209 5.982 6.536 1.00 0.00 C ATOM 0 H PHE 1 59 -6.001 1.795 2.758 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.047 3.497 2.538 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.229 2.896 4.434 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.516 4.419 3.940 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.024 3.269 4.523 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.016 6.100 5.424 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.623 4.498 6.002 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.616 7.328 6.903 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.899 6.512 7.175 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.722 15.085 -0.072 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.418 13.966 0.538 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.446 12.796 0.708 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.865 11.671 0.976 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.579 13.494 -0.340 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.617 12.626 0.372 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.289 11.447 0.633 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.715 13.159 0.640 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.806 14.296 1.502 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.081 14.369 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.173 12.932 -1.181 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.168 13.102 0.544 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.134 12.090 0.675 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.621 12.039 2.116 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.975 12.886 2.935 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.962 12.376 -0.266 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.456 12.670 -1.684 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.607 13.757 -2.346 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.956 13.870 -3.780 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.138 14.368 -4.716 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.916 14.803 -4.375 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.539 14.431 -5.993 1.00 0.00 N ATOM 0 H ARG 2 18 -6.825 14.036 0.322 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.574 11.129 0.408 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.390 13.226 0.107 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.287 11.520 -0.282 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.418 11.760 -2.282 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.498 12.987 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.771 14.712 -1.847 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.549 13.519 -2.239 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.878 13.548 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.610 14.754 -3.403 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.292 15.182 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.468 14.099 -6.253 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.915 14.811 -6.705 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.796 11.037 2.381 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.232 10.864 3.709 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.796 11.392 3.720 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.015 11.059 4.611 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.333 9.398 4.133 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.975 9.229 5.612 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.725 8.837 3.839 1.00 0.00 C ATOM 0 H VAL 2 19 -4.505 10.337 1.699 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.796 11.440 4.442 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.612 8.829 3.546 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.055 8.177 5.888 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.954 9.572 5.781 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.661 9.817 6.222 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.770 7.793 4.150 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.472 9.411 4.387 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.927 8.906 2.770 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.490 12.206 2.720 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.161 12.783 2.604 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.131 11.794 3.153 1.00 0.00 C ATOM 1162 O ASP 2 20 0.244 11.866 4.322 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.051 14.077 3.412 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.360 14.420 3.895 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.307 14.136 3.129 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.460 14.958 5.020 1.00 0.00 O ATOM 0 H ASP 2 20 -3.140 12.480 1.983 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.977 12.998 1.551 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.420 14.901 2.802 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.708 14.003 4.279 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.299 10.893 2.281 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.279 9.891 2.663 1.00 0.00 C ATOM 1173 C CYS 2 21 2.459 10.602 3.327 1.00 0.00 C ATOM 1174 O CYS 2 21 3.044 10.086 4.279 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.721 9.047 1.466 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.963 7.269 1.828 1.00 0.00 S ATOM 0 H CYS 2 21 -0.014 10.836 1.312 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.832 9.193 3.371 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.976 9.144 0.676 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.654 9.454 1.077 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.775 11.776 2.799 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.875 12.563 3.329 1.00 0.00 C ATOM 1183 C GLY 2 22 5.146 11.719 3.446 1.00 0.00 C ATOM 1184 O GLY 2 22 5.680 11.544 4.540 1.00 0.00 O ATOM 0 H GLY 2 22 2.288 12.201 2.010 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.061 13.419 2.680 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.605 12.959 4.308 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.595 11.220 2.303 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.793 10.400 2.264 1.00 0.00 C ATOM 1190 C TYR 2 23 8.036 11.256 2.015 1.00 0.00 C ATOM 1191 O TYR 2 23 7.995 12.202 1.230 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.606 9.438 1.089 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.406 7.980 1.504 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.497 7.197 1.827 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.135 7.445 1.557 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.307 5.824 2.218 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.945 6.073 1.948 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.041 5.329 2.259 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.862 4.033 2.628 1.00 0.00 O ATOM 0 H TYR 2 23 5.150 11.368 1.397 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.934 9.880 3.212 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.745 9.760 0.503 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.477 9.503 0.437 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.492 7.614 1.786 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.282 8.057 1.305 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.152 5.201 2.473 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 3.955 5.644 1.994 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.015 3.703 2.263 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.140 10.884 2.717 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.393 11.607 2.579 1.00 0.00 C ATOM 1211 C PRO 2 24 11.079 11.269 1.253 1.00 0.00 C ATOM 1212 O PRO 2 24 12.120 11.837 0.927 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.215 11.204 3.792 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.585 9.924 4.315 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.225 9.769 3.655 1.00 0.00 C ATOM 0 HA PRO 2 24 10.254 12.688 2.549 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.258 11.043 3.521 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.200 11.986 4.552 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.219 9.067 4.089 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.480 9.966 5.399 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.141 8.812 3.141 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.421 9.808 4.390 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.466 10.348 0.525 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.004 9.928 -0.757 1.00 0.00 C ATOM 1225 C HIS 2 25 9.932 10.079 -1.838 1.00 0.00 C ATOM 1226 O HIS 2 25 10.079 9.552 -2.941 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.565 8.507 -0.672 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.878 8.320 -1.393 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.008 7.815 -0.774 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.230 8.577 -2.686 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.990 7.774 -1.664 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.506 8.247 -2.848 1.00 0.00 N ATOM 0 H HIS 2 25 9.602 9.881 0.799 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.841 10.570 -1.032 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.698 8.242 0.377 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.833 7.813 -1.086 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.581 8.981 -3.449 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.997 7.427 -1.483 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.037 8.333 -3.715 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.878 10.800 -1.485 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.781 11.026 -2.410 1.00 0.00 C ATOM 1243 C VAL 2 26 8.344 11.248 -3.816 1.00 0.00 C ATOM 1244 O VAL 2 26 9.197 12.111 -4.018 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.917 12.190 -1.922 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.785 13.350 -1.429 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.953 12.653 -3.017 1.00 0.00 C ATOM 0 H VAL 2 26 8.761 11.236 -0.570 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.131 10.152 -2.453 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.323 11.836 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.145 14.164 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.411 13.011 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.418 13.703 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.350 13.481 -2.645 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.521 12.980 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.300 11.827 -3.300 1.00 0.00 H new ATOM 1257 N THR 2 27 7.844 10.453 -4.751 1.00 0.00 N ATOM 1258 CA THR 2 27 8.285 10.552 -6.132 1.00 0.00 C ATOM 1259 C THR 2 27 7.357 9.751 -7.047 1.00 0.00 C ATOM 1260 O THR 2 27 6.706 8.807 -6.603 1.00 0.00 O ATOM 1261 CB THR 2 27 9.744 10.095 -6.195 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.448 11.243 -6.661 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.983 9.045 -7.282 1.00 0.00 C ATOM 0 H THR 2 27 7.138 9.737 -4.579 1.00 0.00 H new ATOM 0 HA THR 2 27 8.235 11.580 -6.491 1.00 0.00 H new ATOM 0 HB THR 2 27 10.039 9.689 -5.227 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.337 11.977 -6.021 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.034 8.756 -7.284 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.366 8.169 -7.084 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.720 9.462 -8.254 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.326 10.167 -8.341 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.490 9.499 -9.322 1.00 0.00 C ATOM 1273 C PRO 2 28 7.093 8.155 -9.734 1.00 0.00 C ATOM 1274 O PRO 2 28 7.189 7.851 -10.922 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.380 10.480 -10.479 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.530 11.459 -10.306 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.085 11.282 -8.902 1.00 0.00 C ATOM 0 HA PRO 2 28 5.503 9.250 -8.932 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.447 9.964 -11.437 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.421 10.997 -10.463 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.305 11.273 -11.049 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.186 12.483 -10.454 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.153 11.063 -8.923 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.956 12.187 -8.308 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.485 7.386 -8.728 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.076 6.081 -8.971 1.00 0.00 C ATOM 1287 C LYS 2 29 8.389 5.412 -7.631 1.00 0.00 C ATOM 1288 O LYS 2 29 8.618 4.204 -7.575 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.290 6.207 -9.894 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.468 4.943 -10.739 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.884 5.294 -12.170 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.366 4.251 -13.163 1.00 0.00 C ATOM 1293 NZ LYS 2 29 7.905 4.393 -13.348 1.00 0.00 N ATOM 0 H LYS 2 29 7.405 7.642 -7.744 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.372 5.434 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.167 7.071 -10.547 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.187 6.381 -9.300 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.222 4.301 -10.284 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.536 4.378 -10.756 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.496 6.278 -12.435 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.971 5.353 -12.233 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.873 4.369 -14.121 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.597 3.249 -12.801 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.622 3.937 -14.239 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.409 3.940 -12.554 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 7.656 5.402 -13.381 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.390 6.224 -6.585 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.671 5.725 -5.249 1.00 0.00 C ATOM 1309 C GLU 2 30 7.370 5.552 -4.463 1.00 0.00 C ATOM 1310 O GLU 2 30 7.169 4.532 -3.806 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.639 6.651 -4.511 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.058 6.080 -4.520 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.804 6.482 -5.793 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.241 7.652 -5.850 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.921 5.611 -6.681 1.00 0.00 O ATOM 0 H GLU 2 30 8.201 7.225 -6.635 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.150 4.750 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.636 7.635 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.305 6.788 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.603 6.438 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.017 4.993 -4.447 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.520 6.565 -4.556 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.245 6.537 -3.861 1.00 0.00 C ATOM 1324 C CYS 2 31 4.490 5.278 -4.293 1.00 0.00 C ATOM 1325 O CYS 2 31 4.079 4.478 -3.454 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.431 7.807 -4.119 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.032 9.294 -3.238 1.00 0.00 S ATOM 0 H CYS 2 31 6.690 7.410 -5.102 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.416 6.506 -2.785 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.431 8.011 -5.190 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.396 7.624 -3.830 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.329 5.143 -5.601 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.631 3.995 -6.154 1.00 0.00 C ATOM 1334 C ASN 2 32 4.404 2.719 -5.814 1.00 0.00 C ATOM 1335 O ASN 2 32 3.897 1.614 -5.996 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.530 4.094 -7.678 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.229 4.781 -8.097 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.998 5.931 -7.471 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.484 4.298 -8.934 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.670 5.809 -6.294 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.629 3.972 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.382 4.652 -8.067 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.576 3.096 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.722 3.410 -9.377 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.624 4.782 -9.191 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.620 2.916 -5.324 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.469 1.795 -4.957 1.00 0.00 C ATOM 1348 C ASN 2 33 6.324 1.522 -3.459 1.00 0.00 C ATOM 1349 O ASN 2 33 6.513 0.392 -3.009 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.940 2.101 -5.242 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.762 0.814 -5.327 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.240 -0.288 -5.313 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.074 1.014 -5.415 1.00 0.00 N ATOM 0 H ASN 2 33 6.037 3.835 -5.173 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.161 0.931 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.025 2.654 -6.178 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.341 2.741 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.708 0.218 -5.476 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.446 1.964 -5.422 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.991 2.575 -2.727 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.818 2.463 -1.288 1.00 0.00 C ATOM 1362 C ARG 2 34 4.380 2.061 -0.956 1.00 0.00 C ATOM 1363 O ARG 2 34 4.124 1.463 0.088 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.146 3.784 -0.589 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.395 4.429 -1.194 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.433 4.733 -0.112 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.787 4.389 -0.600 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.809 4.050 0.198 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.637 4.008 1.525 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.003 3.754 -0.333 1.00 0.00 N ATOM 0 H ARG 2 34 5.836 3.510 -3.103 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.505 1.696 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.301 4.466 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.303 3.607 0.475 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.827 3.763 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.120 5.350 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.392 5.788 0.157 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.207 4.165 0.790 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.953 4.411 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.728 4.234 1.929 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.415 3.750 2.132 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.134 3.787 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.781 3.496 0.274 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.478 2.406 -1.863 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.072 2.088 -1.679 1.00 0.00 C ATOM 1386 C GLY 2 35 1.223 3.360 -1.634 1.00 0.00 C ATOM 1387 O GLY 2 35 0.145 3.371 -1.044 1.00 0.00 O ATOM 0 H GLY 2 35 3.693 2.903 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.731 1.448 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.941 1.526 -0.754 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.744 4.403 -2.264 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.048 5.678 -2.304 1.00 0.00 C ATOM 1393 C CYS 2 36 0.833 6.063 -3.768 1.00 0.00 C ATOM 1394 O CYS 2 36 1.298 5.369 -4.671 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.808 6.761 -1.534 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.234 6.322 0.190 1.00 0.00 S ATOM 0 H CYS 2 36 2.640 4.391 -2.751 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.081 5.583 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.727 6.993 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.206 7.670 -1.524 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.127 7.167 -3.959 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.155 7.654 -5.299 1.00 0.00 C ATOM 1403 C CYS 2 37 0.428 9.062 -5.433 1.00 0.00 C ATOM 1404 O CYS 2 37 0.165 9.928 -4.600 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.654 7.624 -5.607 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.071 7.477 -7.383 1.00 0.00 S ATOM 0 H CYS 2 37 -0.259 7.739 -3.208 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.314 6.998 -6.033 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.104 6.787 -5.072 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.109 8.534 -5.216 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.363 7.459 -7.525 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.208 9.246 -6.487 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.831 10.535 -6.740 1.00 0.00 C ATOM 1413 C PHE 2 38 0.962 11.392 -7.662 1.00 0.00 C ATOM 1414 O PHE 2 38 0.665 10.996 -8.788 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.167 10.258 -7.433 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.025 11.504 -7.650 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.791 11.989 -6.636 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.023 12.129 -8.858 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.589 13.146 -6.838 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.821 13.287 -9.061 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.586 13.771 -8.047 1.00 0.00 C ATOM 0 H PHE 2 38 1.423 8.525 -7.176 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.963 11.075 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.731 9.540 -6.838 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.974 9.790 -8.398 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.792 11.494 -5.676 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.415 11.745 -9.663 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.198 13.530 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.820 13.782 -10.021 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.192 14.652 -8.201 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.576 12.552 -7.150 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.253 13.469 -7.913 1.00 0.00 C ATOM 1433 C ASP 2 39 0.643 14.409 -8.721 1.00 0.00 C ATOM 1434 O ASP 2 39 0.887 14.177 -9.904 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.124 14.322 -6.988 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.944 15.406 -7.692 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.870 15.022 -8.438 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.626 16.594 -7.467 1.00 0.00 O ATOM 0 H ASP 2 39 0.823 12.878 -6.215 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.893 12.879 -8.569 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.806 13.665 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.483 14.797 -6.245 1.00 0.00 H new ATOM 1443 N SER 2 40 1.110 15.452 -8.050 1.00 0.00 N ATOM 1444 CA SER 2 40 1.973 16.429 -8.689 1.00 0.00 C ATOM 1445 C SER 2 40 1.129 17.507 -9.371 1.00 0.00 C ATOM 1446 O SER 2 40 1.639 18.570 -9.723 1.00 0.00 O ATOM 1447 CB SER 2 40 2.901 15.761 -9.707 1.00 0.00 C ATOM 1448 OG SER 2 40 4.192 16.364 -9.729 1.00 0.00 O ATOM 0 H SER 2 40 0.906 15.641 -7.069 1.00 0.00 H new ATOM 0 HA SER 2 40 2.592 16.892 -7.921 1.00 0.00 H new ATOM 0 HB2 SER 2 40 3.000 14.702 -9.468 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.455 15.823 -10.700 1.00 0.00 H new ATOM 0 HG SER 2 40 4.857 15.724 -9.400 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.149 17.198 -9.535 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.068 18.128 -10.168 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.220 19.389 -9.314 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.222 20.501 -9.838 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.444 17.489 -10.371 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.340 16.214 -11.210 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.504 16.110 -12.197 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.003 16.234 -13.585 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -2.358 15.260 -14.240 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -2.129 14.084 -13.638 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -1.940 15.460 -15.497 1.00 0.00 N ATOM 0 H ARG 2 41 -0.569 16.317 -9.240 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.655 18.392 -11.141 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.887 17.256 -9.403 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.109 18.199 -10.863 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.396 16.209 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.335 15.343 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.015 15.156 -12.070 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.235 16.893 -11.994 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.159 17.116 -14.073 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -2.446 13.931 -12.681 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -1.638 13.343 -14.137 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.113 16.354 -15.956 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -1.449 14.718 -15.995 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.343 19.172 -8.012 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.494 20.276 -7.081 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.358 20.233 -6.057 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.305 19.333 -5.220 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.890 20.260 -6.452 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.923 19.693 -7.428 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.280 21.651 -5.948 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.346 20.021 -6.969 1.00 0.00 C ATOM 0 H ILE 2 42 -1.341 18.248 -7.581 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.416 21.229 -7.604 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.868 19.599 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.754 20.105 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.801 18.613 -7.505 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.276 21.612 -5.506 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.562 21.980 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.281 22.353 -6.782 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.062 19.607 -7.679 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.520 19.587 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.471 21.103 -6.916 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.546 21.244 -6.158 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.677 21.330 -5.252 1.00 0.00 C ATOM 1499 C PRO 2 43 1.237 21.817 -3.870 1.00 0.00 C ATOM 1500 O PRO 2 43 2.033 21.839 -2.933 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.655 22.275 -5.931 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.844 23.043 -6.962 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.515 22.327 -7.137 1.00 0.00 C ATOM 0 HA PRO 2 43 2.142 20.362 -5.068 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.110 22.952 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.467 21.723 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.684 24.070 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.379 23.091 -7.910 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.324 22.999 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.403 21.942 -8.150 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.030 22.197 -3.787 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.586 22.682 -2.535 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.211 21.539 -1.733 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.630 21.733 -0.593 1.00 0.00 O ATOM 0 H GLY 2 44 -0.687 22.179 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.197 23.159 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.340 23.443 -2.738 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.251 20.372 -2.360 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.818 19.198 -1.717 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.754 18.100 -1.644 1.00 0.00 C ATOM 1521 O VAL 2 45 0.381 18.301 -2.071 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.083 18.757 -2.456 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.883 19.967 -2.943 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.742 17.821 -3.617 1.00 0.00 C ATOM 0 H VAL 2 45 -0.901 20.214 -3.305 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.119 19.429 -0.695 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.706 18.204 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.777 19.626 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.173 20.579 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.270 20.559 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.659 17.523 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.089 18.337 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.235 16.935 -3.234 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.171 16.932 -1.086 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.268 15.802 -0.952 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.043 15.117 -2.301 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.982 14.594 -2.900 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.925 14.892 0.074 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.384 15.314 0.129 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.509 16.658 -0.570 1.00 0.00 C ATOM 0 HA PRO 2 46 0.728 16.097 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.832 13.845 -0.215 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.451 14.997 1.050 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.015 14.571 -0.358 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.721 15.389 1.163 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.244 16.619 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.834 17.435 0.121 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.206 15.140 -2.740 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.567 14.529 -4.007 1.00 0.00 C ATOM 1550 C TRP 2 47 1.986 13.083 -3.731 1.00 0.00 C ATOM 1551 O TRP 2 47 2.789 12.514 -4.470 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.651 15.340 -4.720 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.926 16.705 -4.084 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.166 17.807 -4.138 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.076 17.069 -3.293 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.740 18.851 -3.442 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.938 18.388 -2.911 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.196 16.309 -2.912 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.883 19.063 -2.130 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.131 16.997 -2.130 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.007 18.325 -1.738 1.00 0.00 C ATOM 0 H TRP 2 47 1.982 15.573 -2.240 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.716 14.522 -4.688 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.575 14.762 -4.730 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.356 15.487 -5.759 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.223 17.870 -4.660 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.356 19.790 -3.337 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.325 15.276 -3.200 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.753 20.097 -1.845 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.010 16.459 -1.809 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.774 18.786 -1.134 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.426 12.531 -2.666 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.732 11.163 -2.284 1.00 0.00 C ATOM 1574 C CYS 2 48 0.746 10.736 -1.195 1.00 0.00 C ATOM 1575 O CYS 2 48 0.861 11.162 -0.046 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.185 11.014 -1.828 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.758 9.286 -1.644 1.00 0.00 S ATOM 0 H CYS 2 48 0.762 13.006 -2.055 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.623 10.509 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.830 11.521 -2.545 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.306 11.526 -0.873 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.203 9.902 -1.593 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.209 9.413 -0.666 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.583 7.961 -0.976 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.909 7.298 -1.763 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.446 10.295 -0.842 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.614 10.856 -2.256 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.734 11.778 -2.730 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.643 10.433 -3.038 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.890 12.299 -4.042 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.799 10.954 -4.349 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.919 11.875 -4.824 1.00 0.00 C ATOM 0 H PHE 2 49 -0.297 9.552 -2.546 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.824 9.450 0.353 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.333 9.715 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.391 11.125 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.917 12.114 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.342 9.701 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.192 13.032 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.617 10.619 -4.969 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.037 12.270 -5.822 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.655 7.512 -0.342 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.128 6.152 -0.541 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.553 6.188 -1.095 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.501 5.821 -0.402 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.989 5.343 0.750 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.527 6.231 1.907 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.008 6.413 1.887 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.296 5.064 1.766 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.948 4.055 2.630 1.00 0.00 N ATOM 0 H LYS 2 50 -3.210 8.065 0.310 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.513 5.638 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.945 4.883 1.000 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.275 4.533 0.601 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.014 7.204 1.840 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.831 5.787 2.855 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.726 7.053 1.051 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.687 6.918 2.798 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.313 4.729 0.729 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.751 5.172 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.249 3.341 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.336 4.520 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.718 3.594 2.105 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.663 6.644 -2.371 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.957 6.732 -3.025 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.457 5.346 -3.441 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.036 4.623 -2.632 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.739 7.663 -4.207 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.237 7.692 -4.442 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.563 7.086 -3.222 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.734 7.120 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.266 7.303 -5.091 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.120 8.662 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -3.980 7.129 -5.339 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.895 8.715 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.918 6.253 -3.499 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.937 7.818 -2.711 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.214 5.019 -4.701 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.632 3.733 -5.234 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.465 2.747 -5.152 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.269 1.935 -6.054 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.200 3.896 -6.645 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.243 3.575 -7.794 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.756 4.157 -9.114 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -4.823 4.046 -7.474 1.00 0.00 C ATOM 0 H LEU 2 52 -5.733 5.622 -5.369 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.443 3.319 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.077 3.255 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.543 4.924 -6.761 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.204 2.492 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.057 3.914 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -7.733 3.732 -9.344 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -6.844 5.240 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -4.163 3.805 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -4.825 5.124 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -4.468 3.545 -6.574 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.720 2.851 -4.060 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.577 1.979 -3.848 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.004 0.513 -3.940 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.167 -0.371 -4.115 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.907 2.272 -2.504 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.358 3.700 -2.465 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.345 3.930 -3.588 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.401 4.906 -4.318 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.420 2.980 -3.686 1.00 0.00 N ATOM 0 H GLN 2 53 -4.886 3.526 -3.313 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.845 2.173 -4.632 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.626 2.133 -1.697 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.097 1.562 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.178 4.411 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.885 3.885 -1.501 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.431 2.189 -3.042 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.301 3.042 -4.405 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.305 0.300 -3.819 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.854 -1.043 -3.886 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.273 -1.794 -5.087 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.285 -3.024 -5.120 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.382 -1.011 -3.946 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.867 -0.612 -5.341 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.395 -0.654 -5.425 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.028 -0.098 -4.502 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.893 -1.242 -6.408 1.00 0.00 O ATOM 0 H GLU 2 54 -5.996 1.036 -3.675 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.572 -1.575 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.780 -1.991 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.764 -0.305 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.514 0.391 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.440 -1.285 -6.084 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.780 -1.022 -6.044 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.197 -1.598 -7.244 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.493 -2.908 -6.885 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.892 -3.978 -7.345 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.249 -0.585 -7.888 1.00 0.00 C ATOM 0 H ALA 2 55 -4.772 -0.003 -6.013 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.972 -1.829 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.812 -1.017 -8.788 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.803 0.316 -8.150 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.456 -0.331 -7.185 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.459 -2.783 -6.066 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.696 -3.943 -5.640 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.211 -3.761 -4.200 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.242 -4.392 -3.783 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.521 -4.204 -6.585 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.296 -5.705 -6.780 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.533 -6.110 -8.236 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -0.245 -5.269 -9.114 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.997 -7.253 -8.438 1.00 0.00 O ATOM 0 H GLU 2 56 -2.132 -1.895 -5.686 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.349 -4.815 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.714 -3.733 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.383 -3.747 -6.182 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.721 -5.965 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.968 -6.265 -6.129 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.909 -2.895 -3.481 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.563 -2.621 -2.096 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.538 -3.384 -1.197 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.120 -4.131 -0.313 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.566 -1.121 -1.798 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.179 -0.543 -0.753 1.00 0.00 S ATOM 0 H CYS 2 57 -2.713 -2.374 -3.831 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.546 -2.961 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.542 -0.577 -2.742 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.504 -0.864 -1.306 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.820 -3.171 -1.454 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.858 -3.829 -0.680 1.00 0.00 C ATOM 1726 C THR 2 58 -4.779 -5.346 -0.861 1.00 0.00 C ATOM 1727 O THR 2 58 -4.925 -6.099 0.100 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.206 -3.237 -1.096 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.096 -3.637 -0.058 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.775 -3.902 -2.352 1.00 0.00 C ATOM 0 H THR 2 58 -4.163 -2.552 -2.188 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.725 -3.654 0.388 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.094 -2.167 -1.271 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.994 -3.294 -0.247 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.732 -3.445 -2.604 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.080 -3.769 -3.181 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.919 -4.966 -2.167 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.546 -5.750 -2.102 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.446 -7.164 -2.422 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.832 -7.947 -1.258 1.00 0.00 C ATOM 1741 O PHE 2 59 -3.075 -8.892 -1.473 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.529 -7.282 -3.640 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.185 -7.947 -4.851 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.292 -7.393 -5.414 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.662 -9.093 -5.365 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.902 -8.011 -6.538 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.271 -9.710 -6.490 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.378 -9.156 -7.052 1.00 0.00 C ATOM 0 H PHE 2 59 -4.424 -5.123 -2.897 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.437 -7.573 -2.618 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.190 -6.286 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.643 -7.852 -3.361 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.707 -6.483 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.783 -9.534 -4.917 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.782 -7.572 -6.984 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.855 -10.619 -6.899 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.842 -9.625 -7.907 1.00 0.00 H new