USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : 1 23 TYR OH : rot 30:sc= -1.38 USER MOD Single : 1 25 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-1.4) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.112 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.45 K(o=-2.4,f=-0.42) USER MOD Single : 1 33 ASN : amide:sc= -0.0603 X(o=-0.06,f=-0.056) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.314 USER MOD Single : 1 40 SER OG : rot 86:sc= 0.623 USER MOD Single : 1 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 53 GLN : amide:sc= -12.8! C(o=-13!,f=-19!) USER MOD Single : 1 58 THR OG1 : rot -34:sc= -0.235 USER MOD Single : 2 23 TYR OH : rot 178:sc= -0.0161 USER MOD Single : 2 25 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.66) USER MOD Single : 2 27 THR OG1 : rot 60:sc= 0.0422 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.063) USER MOD Single : 2 33 ASN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : 2 37 CYS SG : rot 180:sc= 0 USER MOD Single : 2 40 SER OG : rot 97:sc= 0.204 USER MOD Single : 2 50 LYS NZ :NH3+ -156:sc= -3.64! (180deg=-4.86!) USER MOD Single : 2 53 GLN : amide:sc= -13.9! C(o=-14!,f=-22!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.143 -16.345 -2.080 1.00 0.00 N ATOM 229 CA ASP 1 17 1.019 -15.670 -2.706 1.00 0.00 C ATOM 230 C ASP 1 17 1.172 -14.159 -2.527 1.00 0.00 C ATOM 231 O ASP 1 17 0.236 -13.401 -2.781 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.304 -16.090 -2.063 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.559 -15.533 -2.738 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.401 -14.950 -3.833 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.645 -15.703 -2.145 1.00 0.00 O ATOM 0 HA ASP 1 17 1.009 -15.941 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.362 -17.178 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.300 -15.773 -1.020 1.00 0.00 H new ATOM 240 N ARG 1 18 2.359 -13.764 -2.090 1.00 0.00 N ATOM 241 CA ARG 1 18 2.647 -12.356 -1.875 1.00 0.00 C ATOM 242 C ARG 1 18 3.275 -11.744 -3.128 1.00 0.00 C ATOM 243 O ARG 1 18 3.532 -12.447 -4.104 1.00 0.00 O ATOM 244 CB ARG 1 18 3.597 -12.163 -0.690 1.00 0.00 C ATOM 245 CG ARG 1 18 3.188 -13.047 0.491 1.00 0.00 C ATOM 246 CD ARG 1 18 4.409 -13.717 1.123 1.00 0.00 C ATOM 247 NE ARG 1 18 3.994 -14.531 2.287 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.765 -14.758 3.358 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.997 -14.233 3.421 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.305 -15.510 4.368 1.00 0.00 N ATOM 0 H ARG 1 18 3.132 -14.395 -1.879 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.704 -11.855 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.616 -12.404 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.594 -11.117 -0.384 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.671 -12.445 1.239 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.485 -13.808 0.154 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.909 -14.347 0.388 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.128 -12.960 1.436 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.062 -14.945 2.273 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.347 -13.660 2.653 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.584 -14.406 4.237 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.368 -15.909 4.321 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.892 -15.683 5.184 1.00 0.00 H new ATOM 264 N VAL 1 19 3.502 -10.440 -3.061 1.00 0.00 N ATOM 265 CA VAL 1 19 4.095 -9.726 -4.179 1.00 0.00 C ATOM 266 C VAL 1 19 5.528 -9.326 -3.820 1.00 0.00 C ATOM 267 O VAL 1 19 6.094 -8.420 -4.431 1.00 0.00 O ATOM 268 CB VAL 1 19 3.218 -8.532 -4.559 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.563 -8.023 -5.962 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.733 -8.885 -4.455 1.00 0.00 C ATOM 0 H VAL 1 19 3.286 -9.860 -2.250 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.148 -10.367 -5.059 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.421 -7.729 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.925 -7.174 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.607 -7.712 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.402 -8.820 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.133 -8.018 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.507 -9.712 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.499 -9.177 -3.431 1.00 0.00 H new ATOM 280 N ASP 1 20 6.073 -10.020 -2.832 1.00 0.00 N ATOM 281 CA ASP 1 20 7.428 -9.748 -2.386 1.00 0.00 C ATOM 282 C ASP 1 20 7.715 -8.252 -2.522 1.00 0.00 C ATOM 283 O ASP 1 20 8.165 -7.795 -3.572 1.00 0.00 O ATOM 284 CB ASP 1 20 8.450 -10.505 -3.237 1.00 0.00 C ATOM 285 CG ASP 1 20 9.826 -9.844 -3.334 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.570 -9.929 -2.334 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.104 -9.266 -4.409 1.00 0.00 O ATOM 0 H ASP 1 20 5.600 -10.770 -2.328 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.513 -10.071 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.573 -11.507 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.048 -10.621 -4.243 1.00 0.00 H new ATOM 292 N CYS 1 21 7.443 -7.530 -1.445 1.00 0.00 N ATOM 293 CA CYS 1 21 7.666 -6.094 -1.430 1.00 0.00 C ATOM 294 C CYS 1 21 9.115 -5.829 -1.842 1.00 0.00 C ATOM 295 O CYS 1 21 9.405 -4.828 -2.496 1.00 0.00 O ATOM 296 CB CYS 1 21 7.340 -5.485 -0.065 1.00 0.00 C ATOM 297 SG CYS 1 21 6.343 -3.952 -0.126 1.00 0.00 S ATOM 0 H CYS 1 21 7.070 -7.913 -0.576 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.994 -5.611 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.805 -6.226 0.529 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.274 -5.273 0.455 1.00 0.00 H new ATOM 302 N GLY 1 22 9.987 -6.743 -1.443 1.00 0.00 N ATOM 303 CA GLY 1 22 11.399 -6.621 -1.762 1.00 0.00 C ATOM 304 C GLY 1 22 11.964 -5.293 -1.254 1.00 0.00 C ATOM 305 O GLY 1 22 12.503 -4.506 -2.029 1.00 0.00 O ATOM 0 H GLY 1 22 9.743 -7.572 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.949 -7.449 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.539 -6.691 -2.841 1.00 0.00 H new ATOM 309 N TYR 1 23 11.819 -5.085 0.047 1.00 0.00 N ATOM 310 CA TYR 1 23 12.308 -3.866 0.668 1.00 0.00 C ATOM 311 C TYR 1 23 13.748 -4.037 1.154 1.00 0.00 C ATOM 312 O TYR 1 23 14.128 -5.113 1.616 1.00 0.00 O ATOM 313 CB TYR 1 23 11.402 -3.615 1.875 1.00 0.00 C ATOM 314 CG TYR 1 23 10.972 -2.156 2.040 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.674 -1.396 0.927 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.883 -1.601 3.299 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.271 -0.022 1.081 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.478 -0.227 3.454 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.192 0.494 2.337 1.00 0.00 C ATOM 320 OH TYR 1 23 9.810 1.791 2.483 1.00 0.00 O ATOM 0 H TYR 1 23 11.370 -5.740 0.687 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.295 -3.041 -0.044 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.512 -4.237 1.783 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.922 -3.934 2.779 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.743 -1.832 -0.059 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.117 -2.196 4.169 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.037 0.585 0.219 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.403 0.220 4.434 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.208 2.039 1.750 1.00 0.00 H new ATOM 330 N PRO 1 24 14.533 -2.933 1.030 1.00 0.00 N ATOM 331 CA PRO 1 24 15.923 -2.951 1.450 1.00 0.00 C ATOM 332 C PRO 1 24 16.035 -2.901 2.976 1.00 0.00 C ATOM 333 O PRO 1 24 17.107 -3.135 3.531 1.00 0.00 O ATOM 334 CB PRO 1 24 16.556 -1.749 0.768 1.00 0.00 C ATOM 335 CG PRO 1 24 15.404 -0.842 0.369 1.00 0.00 C ATOM 336 CD PRO 1 24 14.117 -1.643 0.487 1.00 0.00 C ATOM 0 HA PRO 1 24 16.437 -3.869 1.166 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.243 -1.235 1.441 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.133 -2.054 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.368 0.036 1.015 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.537 -0.482 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.402 -1.149 1.144 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.632 -1.759 -0.482 1.00 0.00 H new ATOM 344 N HIS 1 25 14.913 -2.593 3.609 1.00 0.00 N ATOM 345 CA HIS 1 25 14.872 -2.509 5.059 1.00 0.00 C ATOM 346 C HIS 1 25 13.728 -3.375 5.591 1.00 0.00 C ATOM 347 O HIS 1 25 12.979 -2.950 6.470 1.00 0.00 O ATOM 348 CB HIS 1 25 14.774 -1.052 5.516 1.00 0.00 C ATOM 349 CG HIS 1 25 16.060 -0.498 6.081 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.605 -0.935 7.276 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.903 0.462 5.602 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.724 -0.263 7.495 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.907 0.603 6.458 1.00 0.00 N ATOM 0 H HIS 1 25 14.026 -2.399 3.145 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.801 -2.898 5.476 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.466 -0.437 4.671 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.992 -0.971 6.271 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.775 1.013 4.682 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.378 -0.380 8.346 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.687 1.252 6.357 1.00 0.00 H new ATOM 362 N VAL 1 26 13.629 -4.574 5.037 1.00 0.00 N ATOM 363 CA VAL 1 26 12.590 -5.504 5.443 1.00 0.00 C ATOM 364 C VAL 1 26 12.761 -5.836 6.928 1.00 0.00 C ATOM 365 O VAL 1 26 13.792 -6.368 7.333 1.00 0.00 O ATOM 366 CB VAL 1 26 12.616 -6.744 4.548 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.053 -7.170 4.242 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.826 -7.893 5.178 1.00 0.00 C ATOM 0 H VAL 1 26 14.252 -4.923 4.309 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.606 -5.052 5.320 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.135 -6.485 3.605 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.042 -8.054 3.604 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.572 -6.359 3.730 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.570 -7.401 5.173 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.861 -8.762 4.521 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.264 -8.150 6.143 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.790 -7.587 5.320 1.00 0.00 H new ATOM 378 N THR 1 27 11.733 -5.506 7.697 1.00 0.00 N ATOM 379 CA THR 1 27 11.757 -5.762 9.127 1.00 0.00 C ATOM 380 C THR 1 27 10.361 -5.581 9.725 1.00 0.00 C ATOM 381 O THR 1 27 9.539 -4.845 9.180 1.00 0.00 O ATOM 382 CB THR 1 27 12.810 -4.845 9.754 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.658 -5.734 10.477 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.223 -3.931 10.832 1.00 0.00 C ATOM 0 H THR 1 27 10.879 -5.064 7.357 1.00 0.00 H new ATOM 0 HA THR 1 27 12.036 -6.794 9.339 1.00 0.00 H new ATOM 0 HB THR 1 27 13.273 -4.238 8.976 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.371 -5.223 10.914 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.012 -3.302 11.244 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.449 -3.302 10.393 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.790 -4.538 11.627 1.00 0.00 H new ATOM 392 N PRO 1 28 10.128 -6.282 10.867 1.00 0.00 N ATOM 393 CA PRO 1 28 8.845 -6.206 11.543 1.00 0.00 C ATOM 394 C PRO 1 28 8.697 -4.878 12.288 1.00 0.00 C ATOM 395 O PRO 1 28 8.478 -4.862 13.498 1.00 0.00 O ATOM 396 CB PRO 1 28 8.816 -7.412 12.469 1.00 0.00 C ATOM 397 CG PRO 1 28 10.262 -7.856 12.619 1.00 0.00 C ATOM 398 CD PRO 1 28 11.078 -7.163 11.540 1.00 0.00 C ATOM 0 HA PRO 1 28 8.003 -6.231 10.851 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.385 -7.152 13.436 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.203 -8.211 12.051 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.640 -7.597 13.608 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.341 -8.939 12.521 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.905 -6.599 11.970 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.510 -7.884 10.846 1.00 0.00 H new ATOM 406 N LYS 1 29 8.821 -3.796 11.534 1.00 0.00 N ATOM 407 CA LYS 1 29 8.703 -2.466 12.107 1.00 0.00 C ATOM 408 C LYS 1 29 8.877 -1.422 11.002 1.00 0.00 C ATOM 409 O LYS 1 29 8.373 -0.305 11.114 1.00 0.00 O ATOM 410 CB LYS 1 29 9.678 -2.297 13.273 1.00 0.00 C ATOM 411 CG LYS 1 29 9.483 -0.944 13.960 1.00 0.00 C ATOM 412 CD LYS 1 29 9.542 -1.087 15.482 1.00 0.00 C ATOM 413 CE LYS 1 29 10.829 -0.477 16.041 1.00 0.00 C ATOM 414 NZ LYS 1 29 11.588 -1.485 16.815 1.00 0.00 N ATOM 0 H LYS 1 29 9.002 -3.813 10.530 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.709 -2.320 12.530 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.530 -3.100 13.995 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.702 -2.380 12.910 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.253 -0.249 13.627 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.522 -0.519 13.668 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.678 -0.596 15.931 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.487 -2.141 15.754 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 11.444 -0.099 15.224 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 10.588 0.374 16.679 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 12.458 -1.054 17.187 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 11.005 -1.826 17.606 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 11.834 -2.284 16.197 1.00 0.00 H new ATOM 428 N GLU 1 30 9.594 -1.821 9.963 1.00 0.00 N ATOM 429 CA GLU 1 30 9.842 -0.934 8.839 1.00 0.00 C ATOM 430 C GLU 1 30 8.848 -1.218 7.710 1.00 0.00 C ATOM 431 O GLU 1 30 8.264 -0.293 7.146 1.00 0.00 O ATOM 432 CB GLU 1 30 11.284 -1.064 8.345 1.00 0.00 C ATOM 433 CG GLU 1 30 12.128 0.128 8.801 1.00 0.00 C ATOM 434 CD GLU 1 30 13.411 -0.340 9.491 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.296 -0.805 10.646 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.476 -0.223 8.849 1.00 0.00 O ATOM 0 H GLU 1 30 10.012 -2.747 9.875 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.699 0.093 9.174 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.720 -1.989 8.723 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.295 -1.127 7.257 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.379 0.750 7.942 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.548 0.748 9.485 1.00 0.00 H new ATOM 443 N CYS 1 31 8.688 -2.499 7.413 1.00 0.00 N ATOM 444 CA CYS 1 31 7.775 -2.915 6.362 1.00 0.00 C ATOM 445 C CYS 1 31 6.354 -2.532 6.780 1.00 0.00 C ATOM 446 O CYS 1 31 5.657 -1.830 6.049 1.00 0.00 O ATOM 447 CB CYS 1 31 7.899 -4.411 6.066 1.00 0.00 C ATOM 448 SG CYS 1 31 9.193 -4.847 4.846 1.00 0.00 S ATOM 0 H CYS 1 31 9.175 -3.263 7.882 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.029 -2.405 5.433 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.107 -4.936 6.999 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.939 -4.776 5.702 1.00 0.00 H new ATOM 453 N ASN 1 32 5.968 -3.010 7.953 1.00 0.00 N ATOM 454 CA ASN 1 32 4.642 -2.726 8.477 1.00 0.00 C ATOM 455 C ASN 1 32 4.502 -1.221 8.709 1.00 0.00 C ATOM 456 O ASN 1 32 3.423 -0.741 9.054 1.00 0.00 O ATOM 457 CB ASN 1 32 4.415 -3.434 9.815 1.00 0.00 C ATOM 458 CG ASN 1 32 3.643 -4.740 9.619 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.566 -4.940 10.157 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.251 -5.615 8.825 1.00 0.00 N ATOM 0 H ASN 1 32 6.549 -3.592 8.556 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.910 -3.081 7.752 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.375 -3.642 10.288 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.863 -2.778 10.489 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.817 -6.518 8.634 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.152 -5.384 8.407 1.00 0.00 H new ATOM 467 N ASN 1 33 5.606 -0.518 8.509 1.00 0.00 N ATOM 468 CA ASN 1 33 5.620 0.924 8.691 1.00 0.00 C ATOM 469 C ASN 1 33 5.672 1.606 7.323 1.00 0.00 C ATOM 470 O ASN 1 33 5.201 2.732 7.168 1.00 0.00 O ATOM 471 CB ASN 1 33 6.849 1.367 9.488 1.00 0.00 C ATOM 472 CG ASN 1 33 6.970 2.891 9.506 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.076 3.606 9.928 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.122 3.349 9.024 1.00 0.00 N ATOM 0 H ASN 1 33 6.499 -0.920 8.222 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.718 1.204 9.235 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.779 0.992 10.509 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.747 0.932 9.050 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.298 4.353 8.992 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.829 2.696 8.686 1.00 0.00 H new ATOM 481 N ARG 1 34 6.249 0.896 6.365 1.00 0.00 N ATOM 482 CA ARG 1 34 6.368 1.420 5.014 1.00 0.00 C ATOM 483 C ARG 1 34 5.095 1.129 4.217 1.00 0.00 C ATOM 484 O ARG 1 34 4.730 1.890 3.323 1.00 0.00 O ATOM 485 CB ARG 1 34 7.567 0.805 4.289 1.00 0.00 C ATOM 486 CG ARG 1 34 7.186 -0.521 3.626 1.00 0.00 C ATOM 487 CD ARG 1 34 6.556 -0.285 2.252 1.00 0.00 C ATOM 488 NE ARG 1 34 7.457 -0.786 1.190 1.00 0.00 N ATOM 489 CZ ARG 1 34 7.167 -0.755 -0.117 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.998 -0.248 -0.533 1.00 0.00 N ATOM 491 NH2 ARG 1 34 8.044 -1.231 -1.011 1.00 0.00 N ATOM 0 H ARG 1 34 6.639 -0.037 6.497 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.515 2.497 5.088 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.936 1.500 3.535 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.380 0.642 4.997 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.072 -1.147 3.521 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.486 -1.062 4.263 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.593 -0.792 2.192 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 6.366 0.779 2.108 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.355 -1.180 1.471 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 5.329 0.114 0.146 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.778 -0.225 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.934 -1.618 -0.696 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.822 -1.207 -2.006 1.00 0.00 H new ATOM 505 N GLY 1 35 4.453 0.025 4.571 1.00 0.00 N ATOM 506 CA GLY 1 35 3.228 -0.375 3.900 1.00 0.00 C ATOM 507 C GLY 1 35 3.316 -1.826 3.419 1.00 0.00 C ATOM 508 O GLY 1 35 2.611 -2.219 2.491 1.00 0.00 O ATOM 0 H GLY 1 35 4.758 -0.604 5.313 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.383 -0.264 4.580 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.042 0.283 3.051 1.00 0.00 H new ATOM 512 N CYS 1 36 4.187 -2.581 4.071 1.00 0.00 N ATOM 513 CA CYS 1 36 4.376 -3.978 3.722 1.00 0.00 C ATOM 514 C CYS 1 36 4.066 -4.828 4.956 1.00 0.00 C ATOM 515 O CYS 1 36 3.814 -4.294 6.035 1.00 0.00 O ATOM 516 CB CYS 1 36 5.785 -4.241 3.186 1.00 0.00 C ATOM 517 SG CYS 1 36 6.205 -3.334 1.654 1.00 0.00 S ATOM 0 H CYS 1 36 4.770 -2.251 4.840 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.695 -4.250 2.915 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.507 -3.976 3.958 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.894 -5.310 3.000 1.00 0.00 H new ATOM 522 N CYS 1 37 4.094 -6.137 4.755 1.00 0.00 N ATOM 523 CA CYS 1 37 3.820 -7.066 5.838 1.00 0.00 C ATOM 524 C CYS 1 37 5.039 -7.974 6.013 1.00 0.00 C ATOM 525 O CYS 1 37 5.498 -8.595 5.056 1.00 0.00 O ATOM 526 CB CYS 1 37 2.543 -7.869 5.584 1.00 0.00 C ATOM 527 SG CYS 1 37 1.759 -8.561 7.087 1.00 0.00 S ATOM 0 H CYS 1 37 4.302 -6.576 3.858 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.646 -6.512 6.760 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.822 -7.227 5.078 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.775 -8.688 4.903 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.687 -9.218 6.754 1.00 0.00 H new ATOM 532 N PHE 1 38 5.530 -8.022 7.243 1.00 0.00 N ATOM 533 CA PHE 1 38 6.686 -8.843 7.555 1.00 0.00 C ATOM 534 C PHE 1 38 6.260 -10.241 8.009 1.00 0.00 C ATOM 535 O PHE 1 38 5.537 -10.385 8.993 1.00 0.00 O ATOM 536 CB PHE 1 38 7.428 -8.153 8.703 1.00 0.00 C ATOM 537 CG PHE 1 38 8.814 -8.737 8.988 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.862 -8.426 8.180 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.997 -9.566 10.050 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.148 -8.966 8.444 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.283 -10.108 10.315 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.331 -9.797 9.506 1.00 0.00 C ATOM 0 H PHE 1 38 5.148 -7.505 8.035 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.314 -8.952 6.671 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.532 -7.093 8.470 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.823 -8.222 9.607 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.716 -7.768 7.336 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.164 -9.812 10.692 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.981 -8.718 7.803 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.428 -10.767 11.158 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.309 -10.210 9.706 1.00 0.00 H new ATOM 552 N ASP 1 39 6.726 -11.236 7.268 1.00 0.00 N ATOM 553 CA ASP 1 39 6.402 -12.618 7.580 1.00 0.00 C ATOM 554 C ASP 1 39 7.337 -13.119 8.683 1.00 0.00 C ATOM 555 O ASP 1 39 6.972 -13.119 9.858 1.00 0.00 O ATOM 556 CB ASP 1 39 6.589 -13.518 6.356 1.00 0.00 C ATOM 557 CG ASP 1 39 7.126 -14.918 6.660 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.332 -15.729 7.183 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.319 -15.145 6.362 1.00 0.00 O ATOM 0 H ASP 1 39 7.326 -11.112 6.452 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.361 -12.657 7.900 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.631 -13.615 5.845 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.271 -13.026 5.663 1.00 0.00 H new ATOM 564 N SER 1 40 8.524 -13.534 8.265 1.00 0.00 N ATOM 565 CA SER 1 40 9.514 -14.037 9.203 1.00 0.00 C ATOM 566 C SER 1 40 9.277 -15.526 9.464 1.00 0.00 C ATOM 567 O SER 1 40 10.195 -16.243 9.859 1.00 0.00 O ATOM 568 CB SER 1 40 9.475 -13.255 10.517 1.00 0.00 C ATOM 569 OG SER 1 40 10.782 -12.978 11.013 1.00 0.00 O ATOM 0 H SER 1 40 8.823 -13.532 7.290 1.00 0.00 H new ATOM 0 HA SER 1 40 10.502 -13.904 8.762 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.939 -12.318 10.365 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.918 -13.824 11.261 1.00 0.00 H new ATOM 0 HG SER 1 40 11.121 -12.157 10.600 1.00 0.00 H new ATOM 575 N ARG 1 41 8.042 -15.946 9.233 1.00 0.00 N ATOM 576 CA ARG 1 41 7.674 -17.336 9.439 1.00 0.00 C ATOM 577 C ARG 1 41 8.461 -18.240 8.488 1.00 0.00 C ATOM 578 O ARG 1 41 8.967 -19.285 8.895 1.00 0.00 O ATOM 579 CB ARG 1 41 6.176 -17.549 9.211 1.00 0.00 C ATOM 580 CG ARG 1 41 5.361 -16.406 9.820 1.00 0.00 C ATOM 581 CD ARG 1 41 3.899 -16.814 10.009 1.00 0.00 C ATOM 582 NE ARG 1 41 3.375 -17.409 8.759 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.364 -18.724 8.499 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.850 -19.589 9.400 1.00 0.00 N ATOM 585 NH2 ARG 1 41 2.869 -19.174 7.338 1.00 0.00 N ATOM 0 H ARG 1 41 7.284 -15.348 8.905 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.913 -17.593 10.471 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.973 -17.616 8.142 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.868 -18.496 9.654 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.790 -16.121 10.781 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.417 -15.530 9.174 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.815 -17.531 10.826 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.303 -15.944 10.286 1.00 0.00 H new ATOM 0 HE ARG 1 41 2.999 -16.779 8.051 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.228 -19.247 10.283 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 3.842 -20.590 9.202 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 2.500 -18.516 6.651 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 2.861 -20.175 7.141 1.00 0.00 H new ATOM 599 N ILE 1 42 8.539 -17.806 7.239 1.00 0.00 N ATOM 600 CA ILE 1 42 9.256 -18.562 6.227 1.00 0.00 C ATOM 601 C ILE 1 42 10.387 -17.702 5.658 1.00 0.00 C ATOM 602 O ILE 1 42 10.134 -16.717 4.966 1.00 0.00 O ATOM 603 CB ILE 1 42 8.288 -19.087 5.164 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.921 -19.399 5.775 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.879 -20.293 4.432 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.241 -20.553 5.036 1.00 0.00 C ATOM 0 H ILE 1 42 8.117 -16.940 6.905 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.718 -19.445 6.668 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.137 -18.303 4.421 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.039 -19.656 6.828 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.289 -18.512 5.732 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.171 -20.646 3.682 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.809 -20.002 3.944 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.078 -21.091 5.147 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.271 -20.755 5.490 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.102 -20.283 3.989 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.865 -21.445 5.101 1.00 0.00 H new ATOM 618 N PRO 1 43 11.641 -18.116 5.979 1.00 0.00 N ATOM 619 CA PRO 1 43 12.812 -17.395 5.509 1.00 0.00 C ATOM 620 C PRO 1 43 13.063 -17.669 4.024 1.00 0.00 C ATOM 621 O PRO 1 43 13.924 -17.039 3.411 1.00 0.00 O ATOM 622 CB PRO 1 43 13.949 -17.865 6.400 1.00 0.00 C ATOM 623 CG PRO 1 43 13.476 -19.166 7.028 1.00 0.00 C ATOM 624 CD PRO 1 43 11.979 -19.279 6.797 1.00 0.00 C ATOM 0 HA PRO 1 43 12.695 -16.313 5.575 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.860 -18.019 5.822 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.178 -17.123 7.165 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.996 -20.015 6.584 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.699 -19.178 8.095 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.726 -20.209 6.287 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.431 -19.273 7.739 1.00 0.00 H new ATOM 632 N GLY 1 44 12.299 -18.610 3.491 1.00 0.00 N ATOM 633 CA GLY 1 44 12.428 -18.975 2.090 1.00 0.00 C ATOM 634 C GLY 1 44 11.462 -18.168 1.221 1.00 0.00 C ATOM 635 O GLY 1 44 11.463 -18.299 -0.001 1.00 0.00 O ATOM 0 H GLY 1 44 11.588 -19.131 4.004 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.452 -18.802 1.758 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.229 -20.040 1.968 1.00 0.00 H new ATOM 639 N VAL 1 45 10.661 -17.349 1.887 1.00 0.00 N ATOM 640 CA VAL 1 45 9.691 -16.520 1.191 1.00 0.00 C ATOM 641 C VAL 1 45 9.974 -15.047 1.496 1.00 0.00 C ATOM 642 O VAL 1 45 10.926 -14.729 2.206 1.00 0.00 O ATOM 643 CB VAL 1 45 8.271 -16.947 1.568 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.210 -18.448 1.860 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.752 -16.135 2.756 1.00 0.00 C ATOM 0 H VAL 1 45 10.664 -17.242 2.901 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.779 -16.652 0.113 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.622 -16.745 0.716 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.190 -18.726 2.125 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.519 -19.004 0.975 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.878 -18.685 2.688 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.741 -16.458 3.004 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.404 -16.291 3.616 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.741 -15.076 2.496 1.00 0.00 H new ATOM 655 N PRO 1 46 9.107 -14.167 0.928 1.00 0.00 N ATOM 656 CA PRO 1 46 9.253 -12.736 1.132 1.00 0.00 C ATOM 657 C PRO 1 46 8.798 -12.333 2.536 1.00 0.00 C ATOM 658 O PRO 1 46 7.638 -12.527 2.896 1.00 0.00 O ATOM 659 CB PRO 1 46 8.423 -12.095 0.032 1.00 0.00 C ATOM 660 CG PRO 1 46 7.475 -13.176 -0.459 1.00 0.00 C ATOM 661 CD PRO 1 46 7.968 -14.509 0.081 1.00 0.00 C ATOM 0 HA PRO 1 46 10.290 -12.407 1.073 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.871 -11.234 0.410 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.058 -11.736 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.459 -12.977 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.446 -13.193 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.190 -15.018 0.650 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.262 -15.179 -0.727 1.00 0.00 H new ATOM 669 N TRP 1 47 9.735 -11.777 3.290 1.00 0.00 N ATOM 670 CA TRP 1 47 9.445 -11.345 4.647 1.00 0.00 C ATOM 671 C TRP 1 47 9.003 -9.881 4.592 1.00 0.00 C ATOM 672 O TRP 1 47 9.182 -9.139 5.557 1.00 0.00 O ATOM 673 CB TRP 1 47 10.647 -11.572 5.565 1.00 0.00 C ATOM 674 CG TRP 1 47 11.715 -12.497 4.974 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.682 -13.832 4.865 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.982 -12.096 4.411 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.831 -14.319 4.277 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.646 -13.230 3.991 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.548 -10.818 4.261 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.913 -13.200 3.394 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.814 -10.805 3.663 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.496 -11.938 3.235 1.00 0.00 C ATOM 0 H TRP 1 47 10.696 -11.616 2.987 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.637 -11.938 5.076 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.102 -10.609 5.796 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.297 -11.993 6.508 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.860 -14.449 5.196 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.043 -15.298 4.087 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.046 -9.917 4.582 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.413 -14.102 3.074 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.294 -9.848 3.525 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.472 -11.845 2.782 1.00 0.00 H new ATOM 693 N CYS 1 48 8.436 -9.509 3.454 1.00 0.00 N ATOM 694 CA CYS 1 48 7.969 -8.148 3.261 1.00 0.00 C ATOM 695 C CYS 1 48 7.141 -8.101 1.975 1.00 0.00 C ATOM 696 O CYS 1 48 7.689 -8.181 0.876 1.00 0.00 O ATOM 697 CB CYS 1 48 9.128 -7.149 3.229 1.00 0.00 C ATOM 698 SG CYS 1 48 8.626 -5.391 3.173 1.00 0.00 S ATOM 0 H CYS 1 48 8.290 -10.127 2.656 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.346 -7.854 4.105 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.749 -7.307 4.111 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.749 -7.363 2.359 1.00 0.00 H new ATOM 703 N PHE 1 49 5.834 -7.973 2.154 1.00 0.00 N ATOM 704 CA PHE 1 49 4.925 -7.916 1.022 1.00 0.00 C ATOM 705 C PHE 1 49 3.787 -6.927 1.282 1.00 0.00 C ATOM 706 O PHE 1 49 3.827 -6.169 2.249 1.00 0.00 O ATOM 707 CB PHE 1 49 4.339 -9.318 0.847 1.00 0.00 C ATOM 708 CG PHE 1 49 4.299 -10.140 2.137 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.457 -10.525 2.735 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.102 -10.486 2.685 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.419 -11.288 3.932 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.065 -11.250 3.882 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.224 -11.634 4.481 1.00 0.00 C ATOM 0 H PHE 1 49 5.383 -7.907 3.067 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.460 -7.586 0.131 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.327 -9.231 0.452 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.926 -9.856 0.103 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.407 -10.251 2.300 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.181 -10.180 2.210 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.340 -11.594 4.407 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.116 -11.526 4.317 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.195 -12.213 5.392 1.00 0.00 H new ATOM 723 N LYS 1 50 2.797 -6.970 0.402 1.00 0.00 N ATOM 724 CA LYS 1 50 1.649 -6.089 0.524 1.00 0.00 C ATOM 725 C LYS 1 50 0.372 -6.928 0.595 1.00 0.00 C ATOM 726 O LYS 1 50 -0.438 -6.911 -0.331 1.00 0.00 O ATOM 727 CB LYS 1 50 1.645 -5.055 -0.603 1.00 0.00 C ATOM 728 CG LYS 1 50 1.848 -5.726 -1.963 1.00 0.00 C ATOM 729 CD LYS 1 50 3.164 -5.282 -2.603 1.00 0.00 C ATOM 730 CE LYS 1 50 3.265 -3.756 -2.646 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.643 -3.299 -4.002 1.00 0.00 N ATOM 0 H LYS 1 50 2.767 -7.602 -0.398 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.705 -5.516 1.450 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.700 -4.511 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.435 -4.323 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.846 -6.809 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.017 -5.477 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.003 -5.690 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 3.235 -5.683 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.310 -3.314 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.004 -3.414 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.707 -2.261 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.565 -3.706 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.923 -3.609 -4.686 1.00 0.00 H new ATOM 745 N PRO 1 51 0.227 -7.661 1.731 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.939 -8.505 1.934 1.00 0.00 C ATOM 747 C PRO 1 51 -2.170 -7.666 2.277 1.00 0.00 C ATOM 748 O PRO 1 51 -2.816 -7.112 1.389 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.542 -9.462 3.047 1.00 0.00 C ATOM 750 CG PRO 1 51 0.650 -8.821 3.742 1.00 0.00 C ATOM 751 CD PRO 1 51 1.165 -7.704 2.848 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.222 -9.055 1.036 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.366 -9.613 3.744 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.280 -10.441 2.646 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.358 -8.427 4.715 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.432 -9.560 3.919 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.192 -6.753 3.379 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.180 -7.907 2.505 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.460 -7.598 3.569 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.604 -6.836 4.040 1.00 0.00 C ATOM 761 C LEU 1 52 -3.160 -5.408 4.364 1.00 0.00 C ATOM 762 O LEU 1 52 -3.711 -4.772 5.261 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.278 -7.551 5.213 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.950 -7.012 6.606 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.347 -8.016 7.691 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.476 -6.613 6.706 1.00 0.00 C ATOM 0 H LEU 1 52 -1.922 -8.058 4.304 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.363 -6.766 3.261 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.358 -7.501 5.071 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.000 -8.604 5.178 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.540 -6.110 6.771 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.103 -7.608 8.672 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.418 -8.208 7.635 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.803 -8.948 7.541 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.269 -6.233 7.706 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -1.849 -7.483 6.512 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.258 -5.838 5.971 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.169 -4.946 3.617 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.645 -3.605 3.813 1.00 0.00 C ATOM 780 C GLN 1 53 -2.777 -2.577 3.739 1.00 0.00 C ATOM 781 O GLN 1 53 -2.630 -1.453 4.214 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.550 -3.289 2.792 1.00 0.00 C ATOM 783 CG GLN 1 53 0.631 -4.251 2.940 1.00 0.00 C ATOM 784 CD GLN 1 53 1.131 -4.287 4.386 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.909 -3.456 4.822 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.640 -5.296 5.102 1.00 0.00 N ATOM 0 H GLN 1 53 -1.714 -5.477 2.874 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.197 -3.553 4.805 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.957 -3.359 1.783 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.207 -2.263 2.927 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.330 -5.252 2.630 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.441 -3.943 2.279 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.008 -5.957 4.674 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.912 -5.408 6.079 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.880 -3.002 3.139 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.035 -2.132 2.997 1.00 0.00 C ATOM 797 C GLU 1 54 -5.262 -1.336 4.284 1.00 0.00 C ATOM 798 O GLU 1 54 -5.835 -0.247 4.252 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.282 -2.935 2.622 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.682 -3.887 3.752 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.201 -4.065 3.807 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.777 -4.354 2.737 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.750 -3.907 4.919 1.00 0.00 O ATOM 0 H GLU 1 54 -3.998 -3.936 2.746 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.838 -1.428 2.188 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.106 -2.255 2.406 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.092 -3.504 1.712 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.204 -4.855 3.603 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.323 -3.498 4.705 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.801 -1.908 5.385 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.946 -1.266 6.680 1.00 0.00 C ATOM 812 C ALA 1 55 -4.721 0.240 6.525 1.00 0.00 C ATOM 813 O ALA 1 55 -5.665 1.024 6.611 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.975 -1.901 7.678 1.00 0.00 C ATOM 0 H ALA 1 55 -4.326 -2.810 5.408 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.954 -1.411 7.069 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.084 -1.419 8.649 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.195 -2.964 7.774 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.953 -1.773 7.323 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.466 0.598 6.300 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.105 1.996 6.132 1.00 0.00 C ATOM 822 C GLU 1 56 -2.387 2.202 4.797 1.00 0.00 C ATOM 823 O GLU 1 56 -1.658 3.178 4.625 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.243 2.482 7.299 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.096 3.196 8.350 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.260 3.561 9.579 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.434 2.711 9.976 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.467 4.682 10.092 1.00 0.00 O ATOM 0 H GLU 1 56 -2.686 -0.055 6.230 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.019 2.590 6.125 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.731 1.635 7.755 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.473 3.159 6.930 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.530 4.099 7.920 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.925 2.554 8.647 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.619 1.268 3.886 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.004 1.335 2.572 1.00 0.00 C ATOM 837 C CYS 1 57 -3.052 1.834 1.576 1.00 0.00 C ATOM 838 O CYS 1 57 -2.855 2.857 0.922 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.416 -0.013 2.153 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.090 0.084 0.894 1.00 0.00 S ATOM 0 H CYS 1 57 -3.225 0.461 4.033 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.166 2.031 2.596 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.021 -0.512 3.038 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.220 -0.639 1.766 1.00 0.00 H new ATOM 845 N THR 1 58 -4.144 1.088 1.491 1.00 0.00 N ATOM 846 CA THR 1 58 -5.224 1.443 0.586 1.00 0.00 C ATOM 847 C THR 1 58 -5.969 2.675 1.101 1.00 0.00 C ATOM 848 O THR 1 58 -6.425 3.504 0.315 1.00 0.00 O ATOM 849 CB THR 1 58 -6.122 0.215 0.417 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.715 0.392 -0.867 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.310 0.222 1.382 1.00 0.00 C ATOM 0 H THR 1 58 -4.304 0.239 2.034 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.842 1.722 -0.396 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.534 -0.689 0.572 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.865 1.347 -1.029 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.915 -0.670 1.221 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.945 0.232 2.409 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.918 1.109 1.205 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.072 2.756 2.420 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.755 3.873 3.049 1.00 0.00 C ATOM 861 C PHE 1 59 -6.556 5.161 2.248 1.00 0.00 C ATOM 862 O PHE 1 59 -7.367 6.082 2.333 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.136 4.051 4.437 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.111 4.580 5.491 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.882 3.712 6.201 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.208 5.917 5.718 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.787 4.202 7.178 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.114 6.408 6.696 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.884 5.540 7.405 1.00 0.00 C ATOM 0 H PHE 1 59 -5.694 2.066 3.070 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.825 3.671 3.102 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.740 3.093 4.772 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.292 4.736 4.362 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.805 2.650 6.021 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.596 6.606 5.155 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.399 3.513 7.741 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.191 7.470 6.876 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.573 5.913 8.149 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.613 15.059 0.067 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.253 13.910 0.685 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.227 12.788 0.852 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.587 11.653 1.161 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.394 13.382 -0.186 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.161 12.195 0.402 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.045 11.998 1.630 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.843 11.511 -0.392 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.651 14.224 1.650 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.097 14.195 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.987 13.089 -1.154 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.969 13.143 0.638 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.888 12.180 0.761 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.323 12.195 2.183 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.727 13.014 3.007 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.763 12.485 -0.230 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.328 12.848 -1.605 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.524 13.981 -2.247 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.008 14.229 -3.623 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.232 14.665 -4.625 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.932 14.906 -4.410 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.758 14.862 -5.842 1.00 0.00 N ATOM 0 H ARG 2 18 -6.674 14.085 0.380 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.296 11.194 0.538 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.155 13.308 0.146 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.107 11.619 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.309 11.972 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.371 13.148 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.619 14.888 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.466 13.721 -2.266 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.994 14.057 -3.821 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.532 14.758 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.342 15.238 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.748 14.680 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.168 15.194 -6.605 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.396 11.280 2.427 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.772 11.178 3.734 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.338 11.706 3.653 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.514 11.410 4.517 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.849 9.735 4.241 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.612 9.670 5.751 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.187 9.095 3.867 1.00 0.00 C ATOM 0 H VAL 2 19 -4.062 10.603 1.741 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.305 11.793 4.459 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.057 9.166 3.754 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.672 8.634 6.084 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.624 10.069 5.982 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.371 10.261 6.264 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.217 8.071 4.238 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.001 9.666 4.313 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.298 9.091 2.783 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.084 12.478 2.606 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.764 13.050 2.401 1.00 0.00 C ATOM 1161 C ASP 2 20 0.296 12.070 2.906 1.00 0.00 C ATOM 1162 O ASP 2 20 0.757 12.179 4.041 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.605 14.360 3.176 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.834 14.711 3.562 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.569 15.164 2.659 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.164 14.520 4.752 1.00 0.00 O ATOM 0 H ASP 2 20 -2.770 12.721 1.891 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.643 13.244 1.335 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.013 15.173 2.575 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.205 14.303 4.084 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.652 11.135 2.038 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.650 10.135 2.382 1.00 0.00 C ATOM 1173 C CYS 2 21 2.866 10.854 2.970 1.00 0.00 C ATOM 1174 O CYS 2 21 3.510 10.344 3.886 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.025 9.272 1.175 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.345 7.511 1.561 1.00 0.00 S ATOM 0 H CYS 2 21 0.268 11.048 1.097 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.241 9.448 3.123 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.221 9.328 0.442 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.914 9.694 0.706 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.145 12.026 2.420 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.272 12.820 2.878 1.00 0.00 C ATOM 1183 C GLY 2 22 5.533 11.962 2.997 1.00 0.00 C ATOM 1184 O GLY 2 22 6.086 11.812 4.087 1.00 0.00 O ATOM 0 H GLY 2 22 2.609 12.446 1.660 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.450 13.641 2.183 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.039 13.266 3.845 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.953 11.422 1.863 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.139 10.583 1.827 1.00 0.00 C ATOM 1190 C TYR 2 23 8.386 11.411 1.511 1.00 0.00 C ATOM 1191 O TYR 2 23 8.321 12.372 0.746 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.909 9.577 0.697 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.836 8.122 1.165 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.988 7.370 1.260 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.617 7.563 1.490 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.919 6.000 1.701 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.548 6.194 1.930 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.702 5.480 2.013 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.636 4.186 2.429 1.00 0.00 O ATOM 0 H TYR 2 23 5.493 11.549 0.961 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.298 10.100 2.791 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.982 9.830 0.183 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.714 9.674 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.942 7.808 1.004 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.715 8.152 1.414 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.813 5.400 1.782 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.601 5.744 2.188 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.708 3.960 2.648 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.522 10.997 2.134 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.783 11.691 1.927 1.00 0.00 C ATOM 1211 C PRO 2 24 11.373 11.358 0.555 1.00 0.00 C ATOM 1212 O PRO 2 24 12.353 11.970 0.132 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.670 11.245 3.078 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.041 9.971 3.621 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.638 9.864 3.047 1.00 0.00 C ATOM 0 HA PRO 2 24 10.671 12.775 1.924 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.689 11.063 2.737 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.724 12.013 3.849 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.636 9.102 3.340 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.007 9.996 4.710 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.495 8.918 2.524 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.884 9.910 3.833 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.750 10.391 -0.102 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.201 9.971 -1.419 1.00 0.00 C ATOM 1225 C HIS 2 25 10.073 10.165 -2.434 1.00 0.00 C ATOM 1226 O HIS 2 25 10.169 9.704 -3.569 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.723 8.534 -1.380 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.228 8.425 -1.431 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.017 9.285 -2.175 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.080 7.551 -0.822 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.285 8.934 -2.014 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.321 7.859 -1.175 1.00 0.00 N ATOM 0 H HIS 2 25 9.937 9.886 0.252 1.00 0.00 H new ATOM 0 HA HIS 2 25 12.038 10.592 -1.736 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.365 8.053 -0.470 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.300 7.982 -2.220 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.793 6.745 -0.164 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 16.139 9.415 -2.467 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.164 7.372 -0.869 1.00 0.00 H new ATOM 1241 N VAL 2 26 9.030 10.850 -1.988 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.885 11.110 -2.843 1.00 0.00 C ATOM 1243 C VAL 2 26 8.368 11.367 -4.272 1.00 0.00 C ATOM 1244 O VAL 2 26 9.217 12.227 -4.499 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.061 12.267 -2.275 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.966 13.405 -1.801 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.040 12.770 -3.299 1.00 0.00 C ATOM 0 H VAL 2 26 8.954 11.233 -1.046 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.227 10.242 -2.873 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.512 11.893 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.354 14.214 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.635 13.038 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.555 13.775 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.468 13.592 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.561 13.118 -4.191 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.363 11.959 -3.567 1.00 0.00 H new ATOM 1257 N THR 2 27 7.808 10.603 -5.198 1.00 0.00 N ATOM 1258 CA THR 2 27 8.171 10.736 -6.598 1.00 0.00 C ATOM 1259 C THR 2 27 7.182 9.973 -7.481 1.00 0.00 C ATOM 1260 O THR 2 27 6.545 9.023 -7.029 1.00 0.00 O ATOM 1261 CB THR 2 27 9.618 10.264 -6.759 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.314 11.422 -7.210 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.784 9.261 -7.901 1.00 0.00 C ATOM 0 H THR 2 27 7.105 9.889 -5.006 1.00 0.00 H new ATOM 0 HA THR 2 27 8.114 11.775 -6.923 1.00 0.00 H new ATOM 0 HB THR 2 27 9.957 9.811 -5.827 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.228 12.136 -6.544 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.829 8.959 -7.971 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.165 8.385 -7.708 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.476 9.723 -8.839 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.081 10.429 -8.758 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.180 9.800 -9.709 1.00 0.00 C ATOM 1273 C PRO 2 28 6.742 8.462 -10.194 1.00 0.00 C ATOM 1274 O PRO 2 28 6.777 8.198 -11.395 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.016 10.816 -10.827 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.187 11.776 -10.693 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.820 11.551 -9.330 1.00 0.00 C ATOM 0 HA PRO 2 28 5.213 9.550 -9.271 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.020 10.328 -11.802 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.066 11.344 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.915 11.603 -11.485 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.848 12.807 -10.791 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.882 11.321 -9.420 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.738 12.439 -8.704 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.167 7.652 -9.235 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.725 6.349 -9.550 1.00 0.00 C ATOM 1287 C LYS 2 29 8.104 5.633 -8.251 1.00 0.00 C ATOM 1288 O LYS 2 29 8.284 4.417 -8.237 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.887 6.486 -10.535 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.986 5.257 -11.442 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.118 5.667 -12.910 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.208 4.438 -13.816 1.00 0.00 C ATOM 1293 NZ LYS 2 29 7.997 4.325 -14.660 1.00 0.00 N ATOM 0 H LYS 2 29 7.136 7.874 -8.240 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.982 5.730 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.750 7.380 -11.143 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.820 6.613 -9.986 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.846 4.654 -11.151 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.101 4.634 -11.313 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.261 6.275 -13.200 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.006 6.285 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.093 4.509 -14.448 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.321 3.539 -13.209 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.075 3.485 -15.269 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.158 4.235 -14.053 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 7.906 5.175 -15.253 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.212 6.420 -7.190 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.565 5.878 -5.889 1.00 0.00 C ATOM 1309 C GLU 2 30 7.310 5.694 -5.033 1.00 0.00 C ATOM 1310 O GLU 2 30 7.142 4.662 -4.385 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.587 6.770 -5.181 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.996 6.186 -5.296 1.00 0.00 C ATOM 1313 CD GLU 2 30 12.056 7.276 -5.123 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.003 8.250 -5.905 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.895 7.111 -4.211 1.00 0.00 O ATOM 0 H GLU 2 30 8.061 7.429 -7.205 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.027 4.902 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.567 7.769 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.317 6.875 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.136 5.414 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.117 5.707 -6.267 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.463 6.712 -5.055 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.229 6.677 -4.288 1.00 0.00 C ATOM 1324 C CYS 2 31 4.451 5.422 -4.690 1.00 0.00 C ATOM 1325 O CYS 2 31 4.091 4.611 -3.837 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.404 7.948 -4.486 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.061 9.431 -3.637 1.00 0.00 S ATOM 0 H CYS 2 31 6.607 7.567 -5.592 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.459 6.636 -3.223 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.337 8.158 -5.553 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.389 7.764 -4.133 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.214 5.302 -5.988 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.484 4.160 -6.511 1.00 0.00 C ATOM 1334 C ASN 2 32 4.272 2.881 -6.225 1.00 0.00 C ATOM 1335 O ASN 2 32 3.755 1.777 -6.394 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.300 4.272 -8.026 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.979 4.963 -8.369 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.188 4.487 -9.168 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.784 6.109 -7.723 1.00 0.00 N ATOM 0 H ASN 2 32 4.514 5.976 -6.692 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.507 4.135 -6.029 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.130 4.833 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.321 3.278 -8.473 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.932 6.646 -7.883 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.487 6.451 -7.067 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.511 3.071 -5.794 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.376 1.946 -5.482 1.00 0.00 C ATOM 1348 C ASN 2 33 6.293 1.644 -3.984 1.00 0.00 C ATOM 1349 O ASN 2 33 6.446 0.497 -3.569 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.834 2.262 -5.820 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.625 0.979 -6.086 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.083 -0.111 -6.163 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.934 1.170 -6.220 1.00 0.00 N ATOM 0 H ASN 2 33 5.936 3.987 -5.654 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.045 1.092 -6.074 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.876 2.908 -6.697 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.291 2.811 -4.997 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.550 0.377 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.323 2.110 -6.144 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.048 2.695 -3.214 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.943 2.557 -1.771 1.00 0.00 C ATOM 1362 C ARG 2 34 4.516 2.171 -1.379 1.00 0.00 C ATOM 1363 O ARG 2 34 4.300 1.559 -0.334 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.324 3.859 -1.064 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.476 4.560 -1.788 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.581 4.954 -0.807 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.908 4.690 -1.406 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.386 3.465 -1.664 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 9.646 2.384 -1.377 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.601 3.321 -2.209 1.00 0.00 N ATOM 0 H ARG 2 34 5.919 3.645 -3.562 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.634 1.773 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.459 4.521 -1.023 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.612 3.647 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.883 3.901 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.103 5.449 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.492 6.010 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.473 4.391 0.120 1.00 0.00 H new ATOM 0 HE ARG 2 34 10.496 5.491 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 8.720 2.495 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 10.009 1.451 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.163 4.144 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 11.965 2.388 -2.405 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.577 2.542 -2.238 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.177 2.241 -1.994 1.00 0.00 C ATOM 1386 C GLY 2 35 1.350 3.525 -1.893 1.00 0.00 C ATOM 1387 O GLY 2 35 0.293 3.539 -1.266 1.00 0.00 O ATOM 0 H GLY 2 35 3.759 3.049 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.790 1.617 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.080 1.668 -1.072 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.864 4.572 -2.522 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.187 5.858 -2.512 1.00 0.00 C ATOM 1393 C CYS 2 36 0.890 6.256 -3.959 1.00 0.00 C ATOM 1394 O CYS 2 36 1.389 5.632 -4.894 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.007 6.924 -1.783 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.467 6.497 -0.065 1.00 0.00 S ATOM 0 H CYS 2 36 2.741 4.556 -3.042 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.251 5.774 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.918 7.113 -2.351 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.439 7.854 -1.772 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.078 7.294 -4.099 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.292 7.782 -5.416 1.00 0.00 C ATOM 1403 C CYS 2 37 0.295 9.184 -5.590 1.00 0.00 C ATOM 1404 O CYS 2 37 0.124 10.044 -4.728 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.808 7.770 -5.620 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.347 7.630 -7.363 1.00 0.00 S ATOM 0 H CYS 2 37 -0.334 7.810 -3.322 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.116 7.119 -6.179 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.230 6.938 -5.056 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.224 8.685 -5.198 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.646 7.627 -7.417 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.974 9.372 -6.712 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.587 10.655 -7.011 1.00 0.00 C ATOM 1413 C PHE 2 38 0.668 11.513 -7.883 1.00 0.00 C ATOM 1414 O PHE 2 38 0.335 11.130 -9.004 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.877 10.367 -7.781 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.771 11.593 -7.980 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.669 11.943 -7.021 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.667 12.331 -9.117 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.498 13.081 -7.206 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.496 13.469 -9.302 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.394 13.820 -8.343 1.00 0.00 C ATOM 0 H PHE 2 38 1.113 8.657 -7.426 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.778 11.199 -6.086 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.442 9.601 -7.250 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.621 9.955 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.752 11.356 -6.119 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.954 12.052 -9.879 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.211 13.360 -6.444 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.413 14.056 -10.205 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.024 14.685 -8.484 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.284 12.656 -7.336 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.591 13.572 -8.050 1.00 0.00 C ATOM 1433 C ASP 2 39 0.251 14.467 -8.963 1.00 0.00 C ATOM 1434 O ASP 2 39 0.370 14.202 -10.159 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.356 14.473 -7.080 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.184 15.578 -7.739 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.200 15.222 -8.374 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.782 16.752 -7.593 1.00 0.00 O ATOM 0 H ASP 2 39 0.562 12.970 -6.406 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.301 12.979 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.020 13.852 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.643 14.933 -6.396 1.00 0.00 H new ATOM 1443 N SER 2 40 0.813 15.506 -8.364 1.00 0.00 N ATOM 1444 CA SER 2 40 1.640 16.441 -9.108 1.00 0.00 C ATOM 1445 C SER 2 40 0.772 17.561 -9.687 1.00 0.00 C ATOM 1446 O SER 2 40 1.281 18.619 -10.052 1.00 0.00 O ATOM 1447 CB SER 2 40 2.405 15.731 -10.226 1.00 0.00 C ATOM 1448 OG SER 2 40 3.684 16.319 -10.454 1.00 0.00 O ATOM 0 H SER 2 40 0.712 15.721 -7.372 1.00 0.00 H new ATOM 0 HA SER 2 40 2.370 16.872 -8.423 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.530 14.679 -9.969 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.820 15.767 -11.145 1.00 0.00 H new ATOM 0 HG SER 2 40 4.368 15.812 -9.970 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.523 17.288 -9.754 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.466 18.259 -10.282 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.353 19.579 -9.517 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.038 20.614 -10.103 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.903 17.742 -10.183 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.104 16.512 -11.071 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.528 16.467 -11.630 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.658 17.413 -12.760 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -5.158 18.651 -12.650 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.579 19.100 -11.459 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -5.238 19.441 -13.730 1.00 0.00 N ATOM 0 H ARG 2 41 -0.941 16.408 -9.451 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.222 18.421 -11.332 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.132 17.489 -9.148 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.598 18.528 -10.481 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.387 16.531 -11.892 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.906 15.607 -10.496 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.765 15.456 -11.962 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.243 16.722 -10.848 1.00 0.00 H new ATOM 0 HE ARG 2 41 -4.347 17.103 -13.681 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.519 18.499 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.960 20.043 -11.375 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -4.918 19.100 -14.636 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.619 20.383 -13.645 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.616 19.501 -8.221 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.548 20.677 -7.371 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.323 20.571 -6.459 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.148 19.572 -5.762 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.863 20.867 -6.614 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.969 19.993 -7.207 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.261 22.345 -6.571 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.312 20.272 -6.530 1.00 0.00 C ATOM 0 H ILE 2 42 -1.877 18.641 -7.739 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.421 21.576 -7.974 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.715 20.542 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.051 20.181 -8.277 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.709 18.941 -7.088 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.199 22.453 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.482 22.917 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.386 22.718 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.081 19.637 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.233 20.059 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.581 21.319 -6.672 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.514 21.642 -6.494 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.716 21.679 -5.680 1.00 0.00 C ATOM 1499 C PRO 2 43 1.377 21.949 -4.212 1.00 0.00 C ATOM 1500 O PRO 2 43 2.220 21.775 -3.334 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.578 22.767 -6.300 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.639 23.612 -7.145 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.339 22.842 -7.308 1.00 0.00 C ATOM 0 HA PRO 2 43 2.246 20.727 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.060 23.370 -5.530 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.372 22.336 -6.910 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.456 24.574 -6.666 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.084 23.820 -8.118 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.514 23.429 -6.969 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.157 22.589 -8.352 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.140 22.370 -3.993 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.322 22.665 -2.647 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.965 21.435 -2.005 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.278 21.442 -0.815 1.00 0.00 O ATOM 0 H GLY 2 44 -0.556 22.514 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.516 23.002 -2.037 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.043 23.482 -2.677 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.144 20.407 -2.822 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.745 19.171 -2.348 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.661 18.098 -2.224 1.00 0.00 C ATOM 1521 O VAL 2 45 0.461 18.285 -2.691 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.891 18.758 -3.274 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.513 17.528 -4.099 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -4.176 18.512 -2.479 1.00 0.00 C ATOM 0 H VAL 2 45 -0.884 20.404 -3.808 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.179 19.312 -1.358 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.076 19.580 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.345 17.256 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.637 17.753 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.287 16.697 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.975 18.220 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -4.008 17.716 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -4.461 19.425 -1.956 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.045 16.967 -1.573 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.120 15.863 -1.380 1.00 0.00 C ATOM 1536 C PRO 2 46 0.085 15.086 -2.683 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.838 14.437 -3.175 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.737 15.020 -0.276 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.202 15.422 -0.215 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.366 16.710 -1.005 1.00 0.00 C ATOM 0 HA PRO 2 46 0.879 16.195 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.632 13.957 -0.492 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.242 15.202 0.678 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.831 14.636 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.515 15.566 0.819 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.119 16.602 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.688 17.530 -0.363 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.299 15.177 -3.204 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.637 14.491 -4.440 1.00 0.00 C ATOM 1550 C TRP 2 47 2.094 13.076 -4.085 1.00 0.00 C ATOM 1551 O TRP 2 47 2.909 12.485 -4.793 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.683 15.276 -5.234 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.976 16.669 -4.673 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.220 17.771 -4.765 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.144 17.066 -3.924 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.812 18.844 -4.133 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.020 18.402 -3.605 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.269 16.320 -3.528 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.983 19.109 -2.877 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.223 17.041 -2.802 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.112 18.387 -2.473 1.00 0.00 C ATOM 0 H TRP 2 47 2.062 15.716 -2.793 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.767 14.422 -5.093 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.610 14.703 -5.259 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.342 15.375 -6.265 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.267 17.814 -5.271 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.433 19.789 -4.065 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.387 15.273 -3.766 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.862 20.156 -2.640 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.108 16.515 -2.474 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.893 18.874 -1.908 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.550 12.570 -2.987 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.891 11.234 -2.529 1.00 0.00 C ATOM 1574 C CYS 2 48 0.928 10.851 -1.404 1.00 0.00 C ATOM 1575 O CYS 2 48 1.070 11.317 -0.274 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.353 11.144 -2.084 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.006 9.442 -1.931 1.00 0.00 S ATOM 0 H CYS 2 48 0.875 13.062 -2.401 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.786 10.527 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.969 11.692 -2.797 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.457 11.646 -1.122 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.032 10.006 -1.751 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.018 9.555 -0.785 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.404 8.095 -1.035 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.766 7.409 -1.832 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.256 10.435 -0.966 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.464 10.930 -2.400 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.575 11.796 -2.955 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.538 10.504 -3.117 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.768 12.256 -4.284 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.730 10.963 -4.447 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.842 11.829 -5.002 1.00 0.00 C ATOM 0 H PHE 2 49 -0.147 9.622 -2.689 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.611 9.627 0.223 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.137 9.873 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.177 11.297 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.722 12.134 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.245 9.817 -2.675 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.063 12.945 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.582 10.624 -5.018 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.989 12.178 -6.013 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.446 7.665 -0.340 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.924 6.299 -0.476 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.401 6.318 -0.873 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.267 5.967 -0.074 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.639 5.502 0.799 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.280 6.432 1.958 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.777 6.721 1.984 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.032 5.424 1.935 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.611 4.381 2.765 1.00 0.00 N ATOM 0 H LYS 2 50 -2.973 8.238 0.319 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.386 5.784 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.513 4.907 1.063 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.821 4.805 0.621 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.832 7.367 1.863 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.583 5.977 2.901 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.510 7.353 1.137 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.526 7.277 2.887 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.114 5.078 0.905 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 1.046 5.607 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.101 3.682 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.032 4.819 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.355 3.908 2.213 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.650 6.741 -2.141 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.008 6.811 -2.654 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.543 5.415 -2.979 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.077 4.733 -2.106 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.922 7.712 -3.875 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.455 7.738 -4.271 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.649 7.165 -3.117 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.712 7.215 -1.926 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.539 7.329 -4.688 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.283 8.715 -3.647 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.294 7.153 -5.176 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.137 8.757 -4.489 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.033 6.327 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.976 7.911 -2.695 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.381 5.031 -4.237 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.840 3.729 -4.687 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.648 2.775 -4.779 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.581 1.944 -5.684 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.625 3.860 -5.994 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.804 3.770 -7.281 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.983 2.406 -7.952 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.140 4.923 -8.230 1.00 0.00 C ATOM 0 H LEU 2 52 -5.938 5.600 -4.959 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.536 3.301 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.386 3.080 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.148 4.816 -5.986 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.750 3.865 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.388 2.369 -8.865 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.654 1.620 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.034 2.256 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.542 4.834 -9.137 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.198 4.885 -8.488 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.920 5.872 -7.742 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.736 2.925 -3.829 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.551 2.088 -3.792 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.935 0.614 -3.945 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.108 -0.210 -4.331 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.759 2.315 -2.502 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.301 3.770 -2.389 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.355 4.137 -3.535 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.392 5.229 -4.078 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.510 3.167 -3.871 1.00 0.00 N ATOM 0 H GLN 2 53 -4.795 3.614 -3.079 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.910 2.365 -4.629 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.376 2.056 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.892 1.655 -2.482 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.168 4.430 -2.403 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.798 3.924 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.533 2.276 -3.375 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.161 3.314 -4.625 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.192 0.329 -3.637 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.696 -1.030 -3.737 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.114 -1.724 -4.969 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.986 -2.947 -4.996 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.226 -1.046 -3.769 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.751 -0.459 -5.080 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.546 -1.504 -5.868 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -7.905 -2.227 -6.659 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.778 -1.554 -5.660 1.00 0.00 O ATOM 0 H GLU 2 54 -5.876 1.016 -3.318 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.378 -1.580 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.585 -2.069 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.617 -0.474 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.385 0.403 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.916 -0.101 -5.683 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.777 -0.912 -5.961 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.212 -1.432 -7.195 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.419 -2.706 -6.891 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.759 -3.783 -7.376 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.350 -0.354 -7.857 1.00 0.00 C ATOM 0 H ALA 2 55 -4.884 0.102 -5.935 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.003 -1.695 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.926 -0.744 -8.782 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.965 0.518 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.544 -0.067 -7.182 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.378 -2.539 -6.089 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.534 -3.660 -5.714 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.069 -3.513 -4.263 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.090 -4.136 -3.856 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.341 -3.791 -6.662 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.661 -4.740 -7.818 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.392 -4.632 -8.923 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.663 -3.485 -9.340 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.902 -5.700 -9.327 1.00 0.00 O ATOM 0 H GLU 2 56 -2.100 -1.643 -5.688 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.122 -4.574 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.075 -2.810 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.525 -4.160 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.704 -5.765 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.645 -4.506 -8.224 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.793 -2.686 -3.524 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.466 -2.450 -2.128 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.302 -3.402 -1.270 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.757 -4.175 -0.485 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.687 -0.988 -1.735 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.286 -0.212 -0.847 1.00 0.00 S ATOM 0 H CYS 2 57 -2.605 -2.171 -3.865 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.407 -2.648 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.892 -0.411 -2.637 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.576 -0.925 -1.108 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.612 -3.315 -1.451 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.528 -4.160 -0.705 1.00 0.00 C ATOM 1726 C THR 2 58 -4.325 -5.630 -1.081 1.00 0.00 C ATOM 1727 O THR 2 58 -4.450 -6.513 -0.234 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.950 -3.658 -0.961 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.761 -4.463 -0.110 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.444 -3.992 -2.370 1.00 0.00 C ATOM 0 H THR 2 58 -4.060 -2.672 -2.104 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.336 -4.102 0.366 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.986 -2.579 -0.809 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.700 -4.203 -0.212 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.458 -3.614 -2.499 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.787 -3.528 -3.105 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.440 -5.073 -2.510 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.016 -5.846 -2.350 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.795 -7.193 -2.849 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.738 -7.919 -2.015 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.535 -9.121 -2.173 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.291 -7.060 -4.287 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.402 -7.061 -5.338 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.450 -6.202 -5.221 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.342 -7.921 -6.390 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.481 -6.202 -6.197 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.374 -7.922 -7.367 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.422 -7.063 -7.250 1.00 0.00 C ATOM 0 H PHE 2 59 -3.913 -5.110 -3.049 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.720 -7.767 -2.794 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.720 -6.136 -4.377 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.605 -7.880 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.498 -5.520 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.510 -8.603 -6.483 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.312 -5.519 -6.104 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.326 -8.605 -8.202 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.207 -7.064 -7.992 1.00 0.00 H new