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 Set 1.1: 1 23 TYR OH : rot 150:sc= -0.0846 USER MOD Set 1.2: 2 33 ASN : amide:sc= -0.0565 X(o=-0.14,f=-0.012) USER MOD Single : 1 25 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.026) USER MOD Single : 1 27 THR OG1 : rot 59:sc= 0.0506 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.273 F(o=-2.4,f=-0.27) USER MOD Single : 1 33 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.3!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.153 USER MOD Single : 1 40 SER OG : rot 105:sc= 0.515 USER MOD Single : 1 50 LYS NZ :NH3+ -152:sc= -0.934 (180deg=-1.83) USER MOD Single : 1 53 GLN : amide:sc= -10.7! C(o=-11!,f=-16!) USER MOD Single : 1 58 THR OG1 : rot -70:sc= -1.89 USER MOD Single : 2 23 TYR OH : rot -130:sc= -1.85 USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0396 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.0765 F(o=-1.5,f=-0.076) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.106 USER MOD Single : 2 40 SER OG : rot 102:sc= 0.259 USER MOD Single : 2 50 LYS NZ :NH3+ -104:sc= -1.44! (180deg=-4.36!) USER MOD Single : 2 53 GLN : amide:sc= -13! C(o=-13!,f=-19!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.7! USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.883 -16.465 -2.355 1.00 0.00 N ATOM 229 CA ASP 1 17 0.838 -15.714 -3.029 1.00 0.00 C ATOM 230 C ASP 1 17 1.162 -14.220 -2.957 1.00 0.00 C ATOM 231 O ASP 1 17 0.723 -13.445 -3.805 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.520 -15.937 -2.360 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.729 -15.498 -3.188 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.048 -16.223 -4.155 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.306 -14.447 -2.836 1.00 0.00 O ATOM 0 HA ASP 1 17 0.790 -16.056 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.624 -16.997 -2.127 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.534 -15.400 -1.412 1.00 0.00 H new ATOM 240 N ARG 1 18 1.926 -13.862 -1.937 1.00 0.00 N ATOM 241 CA ARG 1 18 2.314 -12.475 -1.743 1.00 0.00 C ATOM 242 C ARG 1 18 2.888 -11.898 -3.038 1.00 0.00 C ATOM 243 O ARG 1 18 3.058 -12.619 -4.022 1.00 0.00 O ATOM 244 CB ARG 1 18 3.356 -12.344 -0.630 1.00 0.00 C ATOM 245 CG ARG 1 18 2.862 -13.001 0.662 1.00 0.00 C ATOM 246 CD ARG 1 18 4.009 -13.698 1.395 1.00 0.00 C ATOM 247 NE ARG 1 18 3.554 -14.158 2.726 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.366 -14.342 3.776 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.679 -14.106 3.657 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.864 -14.762 4.946 1.00 0.00 N ATOM 0 H ARG 1 18 2.287 -14.508 -1.235 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.421 -11.919 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.290 -12.809 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.569 -11.291 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.416 -12.247 1.310 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.080 -13.725 0.431 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.363 -14.546 0.810 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.850 -13.014 1.506 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.560 -14.347 2.852 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.061 -13.786 2.767 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.297 -14.246 4.456 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.864 -14.941 5.037 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.482 -14.902 5.745 1.00 0.00 H new ATOM 264 N VAL 1 19 3.172 -10.605 -2.998 1.00 0.00 N ATOM 265 CA VAL 1 19 3.725 -9.924 -4.157 1.00 0.00 C ATOM 266 C VAL 1 19 5.198 -9.600 -3.899 1.00 0.00 C ATOM 267 O VAL 1 19 5.777 -8.749 -4.573 1.00 0.00 O ATOM 268 CB VAL 1 19 2.888 -8.684 -4.484 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.110 -8.240 -5.930 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.405 -8.937 -4.208 1.00 0.00 C ATOM 0 H VAL 1 19 3.030 -10.010 -2.182 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.683 -10.569 -5.035 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.216 -7.875 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.504 -7.358 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.163 -8.001 -6.080 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 2.821 -9.045 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.832 -8.041 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.057 -9.766 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.268 -9.184 -3.155 1.00 0.00 H new ATOM 280 N ASP 1 20 5.761 -10.295 -2.922 1.00 0.00 N ATOM 281 CA ASP 1 20 7.155 -10.091 -2.566 1.00 0.00 C ATOM 282 C ASP 1 20 7.513 -8.615 -2.748 1.00 0.00 C ATOM 283 O ASP 1 20 7.983 -8.212 -3.812 1.00 0.00 O ATOM 284 CB ASP 1 20 8.078 -10.915 -3.465 1.00 0.00 C ATOM 285 CG ASP 1 20 9.471 -10.319 -3.682 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.000 -9.746 -2.707 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.973 -10.451 -4.820 1.00 0.00 O ATOM 0 H ASP 1 20 5.277 -11.000 -2.366 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.288 -10.402 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.188 -11.910 -3.033 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.598 -11.041 -4.435 1.00 0.00 H new ATOM 292 N CYS 1 21 7.278 -7.847 -1.694 1.00 0.00 N ATOM 293 CA CYS 1 21 7.570 -6.424 -1.724 1.00 0.00 C ATOM 294 C CYS 1 21 8.995 -6.237 -2.248 1.00 0.00 C ATOM 295 O CYS 1 21 9.291 -5.247 -2.914 1.00 0.00 O ATOM 296 CB CYS 1 21 7.377 -5.778 -0.351 1.00 0.00 C ATOM 297 SG CYS 1 21 6.626 -4.110 -0.386 1.00 0.00 S ATOM 0 H CYS 1 21 6.888 -8.184 -0.813 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.870 -5.920 -2.391 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.750 -6.430 0.257 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.346 -5.714 0.144 1.00 0.00 H new ATOM 302 N GLY 1 22 9.842 -7.205 -1.927 1.00 0.00 N ATOM 303 CA GLY 1 22 11.229 -7.159 -2.356 1.00 0.00 C ATOM 304 C GLY 1 22 11.824 -5.767 -2.140 1.00 0.00 C ATOM 305 O GLY 1 22 12.275 -5.127 -3.089 1.00 0.00 O ATOM 0 H GLY 1 22 9.594 -8.026 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.809 -7.896 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.296 -7.428 -3.410 1.00 0.00 H new ATOM 309 N TYR 1 23 11.807 -5.339 -0.887 1.00 0.00 N ATOM 310 CA TYR 1 23 12.340 -4.034 -0.534 1.00 0.00 C ATOM 311 C TYR 1 23 13.822 -4.129 -0.163 1.00 0.00 C ATOM 312 O TYR 1 23 14.252 -5.106 0.446 1.00 0.00 O ATOM 313 CB TYR 1 23 11.550 -3.574 0.693 1.00 0.00 C ATOM 314 CG TYR 1 23 10.815 -2.246 0.498 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.472 -1.054 0.726 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.496 -2.239 0.092 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.781 0.196 0.542 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.805 -0.990 -0.092 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.482 0.166 0.142 1.00 0.00 C ATOM 320 OH TYR 1 23 8.829 1.347 -0.032 1.00 0.00 O ATOM 0 H TYR 1 23 11.432 -5.873 -0.103 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.251 -3.344 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.824 -4.344 0.955 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.233 -3.479 1.537 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.505 -1.059 1.042 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.982 -3.172 -0.088 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 11.283 1.136 0.718 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.773 -0.971 -0.409 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.147 1.244 -0.728 1.00 0.00 H new ATOM 330 N PRO 1 24 14.581 -3.072 -0.559 1.00 0.00 N ATOM 331 CA PRO 1 24 16.005 -3.026 -0.276 1.00 0.00 C ATOM 332 C PRO 1 24 16.262 -2.704 1.197 1.00 0.00 C ATOM 333 O PRO 1 24 17.396 -2.783 1.665 1.00 0.00 O ATOM 334 CB PRO 1 24 16.560 -1.973 -1.221 1.00 0.00 C ATOM 335 CG PRO 1 24 15.368 -1.142 -1.665 1.00 0.00 C ATOM 336 CD PRO 1 24 14.105 -1.897 -1.284 1.00 0.00 C ATOM 0 HA PRO 1 24 16.497 -3.985 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.304 -1.353 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.053 -2.436 -2.076 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.386 -0.163 -1.187 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.401 -0.972 -2.741 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.451 -1.286 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.532 -2.181 -2.167 1.00 0.00 H new ATOM 344 N HIS 1 25 15.188 -2.347 1.887 1.00 0.00 N ATOM 345 CA HIS 1 25 15.282 -2.012 3.298 1.00 0.00 C ATOM 346 C HIS 1 25 14.395 -2.956 4.110 1.00 0.00 C ATOM 347 O HIS 1 25 14.099 -2.689 5.274 1.00 0.00 O ATOM 348 CB HIS 1 25 14.947 -0.538 3.529 1.00 0.00 C ATOM 349 CG HIS 1 25 16.094 0.405 3.249 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.906 1.737 2.920 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.441 0.195 3.253 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.094 2.292 2.736 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.045 1.335 2.942 1.00 0.00 N ATOM 0 H HIS 1 25 14.249 -2.283 1.495 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.308 -2.150 3.641 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.103 -0.265 2.896 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.626 -0.407 4.562 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.933 -0.741 3.472 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.278 3.322 2.469 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.053 1.473 2.869 1.00 0.00 H new ATOM 362 N VAL 1 26 13.995 -4.043 3.465 1.00 0.00 N ATOM 363 CA VAL 1 26 13.148 -5.029 4.113 1.00 0.00 C ATOM 364 C VAL 1 26 13.632 -5.247 5.548 1.00 0.00 C ATOM 365 O VAL 1 26 14.808 -5.533 5.773 1.00 0.00 O ATOM 366 CB VAL 1 26 13.120 -6.318 3.289 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.530 -6.719 2.851 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.444 -7.450 4.065 1.00 0.00 C ATOM 0 H VAL 1 26 14.242 -4.262 2.500 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.120 -4.672 4.168 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.531 -6.129 2.391 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.482 -7.638 2.267 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.962 -5.924 2.242 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 15.152 -6.880 3.731 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.437 -8.355 3.457 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.993 -7.637 4.988 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.419 -7.166 4.304 1.00 0.00 H new ATOM 378 N THR 1 27 12.702 -5.105 6.481 1.00 0.00 N ATOM 379 CA THR 1 27 13.020 -5.283 7.887 1.00 0.00 C ATOM 380 C THR 1 27 11.737 -5.386 8.715 1.00 0.00 C ATOM 381 O THR 1 27 10.696 -4.861 8.321 1.00 0.00 O ATOM 382 CB THR 1 27 13.929 -4.130 8.317 1.00 0.00 C ATOM 383 OG1 THR 1 27 15.146 -4.769 8.692 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.450 -3.455 9.604 1.00 0.00 C ATOM 0 H THR 1 27 11.728 -4.869 6.290 1.00 0.00 H new ATOM 0 HA THR 1 27 13.555 -6.218 8.056 1.00 0.00 H new ATOM 0 HB THR 1 27 13.981 -3.391 7.517 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.501 -5.270 7.928 1.00 0.00 H new ATOM 0 HG21 THR 1 27 14.130 -2.644 9.864 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.448 -3.054 9.453 1.00 0.00 H new ATOM 0 HG23 THR 1 27 13.430 -4.186 10.412 1.00 0.00 H new ATOM 392 N PRO 1 28 11.856 -6.082 9.876 1.00 0.00 N ATOM 393 CA PRO 1 28 10.718 -6.260 10.763 1.00 0.00 C ATOM 394 C PRO 1 28 10.412 -4.971 11.528 1.00 0.00 C ATOM 395 O PRO 1 28 10.326 -4.978 12.754 1.00 0.00 O ATOM 396 CB PRO 1 28 11.107 -7.413 11.674 1.00 0.00 C ATOM 397 CG PRO 1 28 12.618 -7.533 11.575 1.00 0.00 C ATOM 398 CD PRO 1 28 13.073 -6.717 10.375 1.00 0.00 C ATOM 0 HA PRO 1 28 9.797 -6.487 10.226 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.797 -7.220 12.701 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.621 -8.338 11.363 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 13.091 -7.167 12.487 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.911 -8.577 11.460 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.819 -5.975 10.660 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.529 -7.351 9.615 1.00 0.00 H new ATOM 406 N LYS 1 29 10.257 -3.895 10.771 1.00 0.00 N ATOM 407 CA LYS 1 29 9.961 -2.601 11.361 1.00 0.00 C ATOM 408 C LYS 1 29 9.925 -1.539 10.260 1.00 0.00 C ATOM 409 O LYS 1 29 9.393 -0.449 10.463 1.00 0.00 O ATOM 410 CB LYS 1 29 10.951 -2.286 12.485 1.00 0.00 C ATOM 411 CG LYS 1 29 10.255 -1.569 13.644 1.00 0.00 C ATOM 412 CD LYS 1 29 10.268 -2.429 14.909 1.00 0.00 C ATOM 413 CE LYS 1 29 11.603 -2.299 15.647 1.00 0.00 C ATOM 414 NZ LYS 1 29 11.446 -2.670 17.071 1.00 0.00 N ATOM 0 H LYS 1 29 10.331 -3.893 9.754 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.976 -2.612 11.827 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 11.405 -3.210 12.844 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.758 -1.663 12.100 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.753 -0.620 13.840 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 9.226 -1.338 13.368 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.454 -2.126 15.567 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.094 -3.472 14.646 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 12.349 -2.941 15.178 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 11.970 -1.275 15.570 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 12.361 -2.576 17.557 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 10.750 -2.041 17.519 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 11.117 -3.654 17.139 1.00 0.00 H new ATOM 428 N GLU 1 30 10.498 -1.895 9.120 1.00 0.00 N ATOM 429 CA GLU 1 30 10.537 -0.985 7.987 1.00 0.00 C ATOM 430 C GLU 1 30 9.458 -1.359 6.969 1.00 0.00 C ATOM 431 O GLU 1 30 8.750 -0.491 6.463 1.00 0.00 O ATOM 432 CB GLU 1 30 11.923 -0.977 7.339 1.00 0.00 C ATOM 433 CG GLU 1 30 12.714 0.265 7.753 1.00 0.00 C ATOM 434 CD GLU 1 30 14.042 -0.123 8.409 1.00 0.00 C ATOM 435 OE1 GLU 1 30 15.023 -0.281 7.651 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.044 -0.253 9.652 1.00 0.00 O ATOM 0 H GLU 1 30 10.939 -2.800 8.956 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.334 0.023 8.348 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.469 -1.874 7.630 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.821 -1.003 6.254 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.904 0.887 6.879 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 12.123 0.863 8.447 1.00 0.00 H new ATOM 443 N CYS 1 31 9.367 -2.653 6.700 1.00 0.00 N ATOM 444 CA CYS 1 31 8.386 -3.153 5.751 1.00 0.00 C ATOM 445 C CYS 1 31 7.001 -2.683 6.200 1.00 0.00 C ATOM 446 O CYS 1 31 6.249 -2.112 5.411 1.00 0.00 O ATOM 447 CB CYS 1 31 8.456 -4.675 5.613 1.00 0.00 C ATOM 448 SG CYS 1 31 9.853 -5.291 4.604 1.00 0.00 S ATOM 0 H CYS 1 31 9.956 -3.371 7.122 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.600 -2.755 4.759 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.524 -5.113 6.609 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.524 -5.029 5.172 1.00 0.00 H new ATOM 453 N ASN 1 32 6.706 -2.941 7.465 1.00 0.00 N ATOM 454 CA ASN 1 32 5.424 -2.551 8.029 1.00 0.00 C ATOM 455 C ASN 1 32 5.361 -1.026 8.137 1.00 0.00 C ATOM 456 O ASN 1 32 4.346 -0.471 8.553 1.00 0.00 O ATOM 457 CB ASN 1 32 5.241 -3.132 9.433 1.00 0.00 C ATOM 458 CG ASN 1 32 4.398 -4.408 9.393 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.928 -5.383 8.660 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 3.337 -4.501 9.987 1.00 0.00 N flip ATOM 0 H ASN 1 32 7.332 -3.415 8.116 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.639 -2.931 7.375 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 6.215 -3.349 9.870 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.760 -2.394 10.076 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.987 -3.713 10.532 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.799 -5.367 9.938 1.00 0.00 H new ATOM 467 N ASN 1 33 6.460 -0.392 7.754 1.00 0.00 N ATOM 468 CA ASN 1 33 6.542 1.057 7.802 1.00 0.00 C ATOM 469 C ASN 1 33 6.425 1.618 6.382 1.00 0.00 C ATOM 470 O ASN 1 33 5.949 2.736 6.190 1.00 0.00 O ATOM 471 CB ASN 1 33 7.882 1.515 8.382 1.00 0.00 C ATOM 472 CG ASN 1 33 7.744 2.870 9.078 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.657 3.342 9.364 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.905 3.467 9.335 1.00 0.00 N ATOM 0 H ASN 1 33 7.301 -0.856 7.409 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.732 1.419 8.436 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 8.248 0.773 9.092 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.622 1.585 7.585 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.920 4.375 9.798 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.780 3.016 9.069 1.00 0.00 H new ATOM 481 N ARG 1 34 6.868 0.816 5.426 1.00 0.00 N ATOM 482 CA ARG 1 34 6.819 1.218 4.030 1.00 0.00 C ATOM 483 C ARG 1 34 5.442 0.911 3.437 1.00 0.00 C ATOM 484 O ARG 1 34 5.027 1.539 2.465 1.00 0.00 O ATOM 485 CB ARG 1 34 7.891 0.495 3.211 1.00 0.00 C ATOM 486 CG ARG 1 34 9.173 0.313 4.025 1.00 0.00 C ATOM 487 CD ARG 1 34 10.397 0.772 3.231 1.00 0.00 C ATOM 488 NE ARG 1 34 11.322 1.518 4.113 1.00 0.00 N ATOM 489 CZ ARG 1 34 10.988 2.627 4.787 1.00 0.00 C ATOM 490 NH1 ARG 1 34 9.748 3.125 4.683 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.892 3.238 5.564 1.00 0.00 N ATOM 0 H ARG 1 34 7.263 -0.110 5.590 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.006 2.291 3.987 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.516 -0.478 2.894 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.108 1.064 2.307 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 9.103 0.881 4.952 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.287 -0.735 4.301 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.907 -0.091 2.802 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 10.085 1.404 2.399 1.00 0.00 H new ATOM 0 HE ARG 1 34 12.274 1.166 4.214 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 9.060 2.660 4.091 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 9.493 3.969 5.196 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.836 2.859 5.643 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 11.637 4.082 6.077 1.00 0.00 H new ATOM 505 N GLY 1 35 4.771 -0.053 4.049 1.00 0.00 N ATOM 506 CA GLY 1 35 3.450 -0.450 3.595 1.00 0.00 C ATOM 507 C GLY 1 35 3.428 -1.926 3.193 1.00 0.00 C ATOM 508 O GLY 1 35 2.596 -2.343 2.388 1.00 0.00 O ATOM 0 H GLY 1 35 5.118 -0.571 4.856 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.722 -0.274 4.387 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.153 0.166 2.746 1.00 0.00 H new ATOM 512 N CYS 1 36 4.352 -2.678 3.774 1.00 0.00 N ATOM 513 CA CYS 1 36 4.449 -4.099 3.487 1.00 0.00 C ATOM 514 C CYS 1 36 4.227 -4.868 4.791 1.00 0.00 C ATOM 515 O CYS 1 36 4.003 -4.267 5.840 1.00 0.00 O ATOM 516 CB CYS 1 36 5.788 -4.454 2.836 1.00 0.00 C ATOM 517 SG CYS 1 36 6.222 -3.444 1.374 1.00 0.00 S ATOM 0 H CYS 1 36 5.040 -2.330 4.442 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.682 -4.381 2.765 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.577 -4.348 3.580 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.766 -5.503 2.542 1.00 0.00 H new ATOM 522 N CYS 1 37 4.296 -6.186 4.681 1.00 0.00 N ATOM 523 CA CYS 1 37 4.105 -7.044 5.839 1.00 0.00 C ATOM 524 C CYS 1 37 5.318 -7.969 5.957 1.00 0.00 C ATOM 525 O CYS 1 37 5.663 -8.670 5.007 1.00 0.00 O ATOM 526 CB CYS 1 37 2.795 -7.829 5.751 1.00 0.00 C ATOM 527 SG CYS 1 37 2.107 -8.358 7.362 1.00 0.00 S ATOM 0 H CYS 1 37 4.481 -6.681 3.809 1.00 0.00 H new ATOM 0 HA CYS 1 37 4.026 -6.433 6.738 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.054 -7.215 5.239 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.958 -8.713 5.134 1.00 0.00 H new ATOM 0 HG CYS 1 37 1.000 -9.010 7.168 1.00 0.00 H new ATOM 532 N PHE 1 38 5.932 -7.941 7.131 1.00 0.00 N ATOM 533 CA PHE 1 38 7.099 -8.768 7.385 1.00 0.00 C ATOM 534 C PHE 1 38 6.696 -10.108 8.004 1.00 0.00 C ATOM 535 O PHE 1 38 6.096 -10.146 9.076 1.00 0.00 O ATOM 536 CB PHE 1 38 7.979 -8.006 8.377 1.00 0.00 C ATOM 537 CG PHE 1 38 9.346 -8.651 8.619 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.390 -8.361 7.798 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.517 -9.513 9.657 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.657 -8.959 8.023 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.784 -10.112 9.882 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.828 -9.822 9.060 1.00 0.00 C ATOM 0 H PHE 1 38 5.643 -7.358 7.917 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.622 -8.972 6.451 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 8.128 -6.991 8.010 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.452 -7.927 9.328 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.255 -7.675 6.974 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.688 -9.742 10.311 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.486 -8.729 7.370 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.919 -10.798 10.705 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.793 -10.277 9.231 1.00 0.00 H new ATOM 552 N ASP 1 39 7.044 -11.176 7.301 1.00 0.00 N ATOM 553 CA ASP 1 39 6.727 -12.515 7.768 1.00 0.00 C ATOM 554 C ASP 1 39 7.869 -13.028 8.649 1.00 0.00 C ATOM 555 O ASP 1 39 7.790 -12.958 9.873 1.00 0.00 O ATOM 556 CB ASP 1 39 6.565 -13.484 6.593 1.00 0.00 C ATOM 557 CG ASP 1 39 6.396 -14.953 6.986 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.331 -15.268 7.558 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.336 -15.727 6.704 1.00 0.00 O ATOM 0 H ASP 1 39 7.542 -11.141 6.412 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.792 -12.465 8.327 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.699 -13.178 6.006 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.437 -13.395 5.945 1.00 0.00 H new ATOM 564 N SER 1 40 8.902 -13.530 7.988 1.00 0.00 N ATOM 565 CA SER 1 40 10.058 -14.053 8.697 1.00 0.00 C ATOM 566 C SER 1 40 9.842 -15.531 9.030 1.00 0.00 C ATOM 567 O SER 1 40 10.794 -16.247 9.338 1.00 0.00 O ATOM 568 CB SER 1 40 10.330 -13.256 9.974 1.00 0.00 C ATOM 569 OG SER 1 40 11.725 -13.099 10.217 1.00 0.00 O ATOM 0 H SER 1 40 8.963 -13.586 6.971 1.00 0.00 H new ATOM 0 HA SER 1 40 10.929 -13.956 8.049 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.863 -12.274 9.895 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.869 -13.762 10.822 1.00 0.00 H new ATOM 0 HG SER 1 40 11.994 -12.183 9.996 1.00 0.00 H new ATOM 575 N ARG 1 41 8.586 -15.945 8.957 1.00 0.00 N ATOM 576 CA ARG 1 41 8.234 -17.323 9.247 1.00 0.00 C ATOM 577 C ARG 1 41 8.950 -18.269 8.282 1.00 0.00 C ATOM 578 O ARG 1 41 9.502 -19.287 8.699 1.00 0.00 O ATOM 579 CB ARG 1 41 6.723 -17.541 9.136 1.00 0.00 C ATOM 580 CG ARG 1 41 5.968 -16.685 10.154 1.00 0.00 C ATOM 581 CD ARG 1 41 4.779 -17.450 10.739 1.00 0.00 C ATOM 582 NE ARG 1 41 5.247 -18.396 11.777 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.548 -19.461 12.192 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.345 -19.722 11.662 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.051 -20.265 13.139 1.00 0.00 N ATOM 0 H ARG 1 41 7.799 -15.349 8.701 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.547 -17.536 10.269 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.389 -17.293 8.128 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.491 -18.594 9.298 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.643 -16.387 10.956 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.617 -15.770 9.676 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 4.062 -16.751 11.169 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.260 -17.992 9.948 1.00 0.00 H new ATOM 0 HE ARG 1 41 6.158 -18.226 12.203 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.961 -19.110 10.942 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.813 -20.533 11.978 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.966 -20.066 13.544 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.519 -21.076 13.455 1.00 0.00 H new ATOM 599 N ILE 1 42 8.920 -17.900 7.009 1.00 0.00 N ATOM 600 CA ILE 1 42 9.560 -18.703 5.982 1.00 0.00 C ATOM 601 C ILE 1 42 10.651 -17.875 5.299 1.00 0.00 C ATOM 602 O ILE 1 42 10.366 -16.837 4.703 1.00 0.00 O ATOM 603 CB ILE 1 42 8.518 -19.263 5.013 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.148 -19.376 5.686 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.979 -20.599 4.424 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.163 -20.142 4.800 1.00 0.00 C ATOM 0 H ILE 1 42 8.462 -17.055 6.666 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.048 -19.571 6.426 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.413 -18.564 4.183 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.251 -19.884 6.645 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.757 -18.380 5.893 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.220 -20.976 3.738 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.916 -20.455 3.885 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.130 -21.319 5.229 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.198 -20.208 5.302 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.044 -19.619 3.851 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.545 -21.146 4.615 1.00 0.00 H new ATOM 618 N PRO 1 43 11.910 -18.376 5.414 1.00 0.00 N ATOM 619 CA PRO 1 43 13.045 -17.694 4.816 1.00 0.00 C ATOM 620 C PRO 1 43 13.067 -17.893 3.299 1.00 0.00 C ATOM 621 O PRO 1 43 13.797 -17.203 2.589 1.00 0.00 O ATOM 622 CB PRO 1 43 14.266 -18.279 5.509 1.00 0.00 C ATOM 623 CG PRO 1 43 13.805 -19.587 6.130 1.00 0.00 C ATOM 624 CD PRO 1 43 12.285 -19.602 6.114 1.00 0.00 C ATOM 0 HA PRO 1 43 13.005 -16.613 4.952 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.075 -18.448 4.798 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.647 -17.598 6.270 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.201 -20.435 5.571 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.177 -19.677 7.151 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.903 -20.484 5.600 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.878 -19.621 7.125 1.00 0.00 H new ATOM 632 N GLY 1 44 12.256 -18.838 2.847 1.00 0.00 N ATOM 633 CA GLY 1 44 12.173 -19.136 1.427 1.00 0.00 C ATOM 634 C GLY 1 44 11.085 -18.296 0.754 1.00 0.00 C ATOM 635 O GLY 1 44 10.987 -18.269 -0.473 1.00 0.00 O ATOM 0 H GLY 1 44 11.651 -19.407 3.439 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.135 -18.939 0.953 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.959 -20.195 1.286 1.00 0.00 H new ATOM 639 N VAL 1 45 10.296 -17.633 1.584 1.00 0.00 N ATOM 640 CA VAL 1 45 9.218 -16.796 1.085 1.00 0.00 C ATOM 641 C VAL 1 45 9.575 -15.325 1.312 1.00 0.00 C ATOM 642 O VAL 1 45 10.575 -15.018 1.959 1.00 0.00 O ATOM 643 CB VAL 1 45 7.895 -17.198 1.740 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.410 -16.115 2.706 1.00 0.00 C ATOM 645 CG2 VAL 1 45 6.833 -17.507 0.683 1.00 0.00 C ATOM 0 H VAL 1 45 10.381 -17.658 2.600 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.089 -16.939 0.012 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.068 -18.107 2.317 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.468 -16.426 3.158 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.155 -15.964 3.487 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.261 -15.182 2.162 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 5.902 -17.790 1.174 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.664 -16.623 0.068 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.175 -18.328 0.053 1.00 0.00 H new ATOM 655 N PRO 1 46 8.714 -14.432 0.754 1.00 0.00 N ATOM 656 CA PRO 1 46 8.928 -13.001 0.889 1.00 0.00 C ATOM 657 C PRO 1 46 8.565 -12.523 2.296 1.00 0.00 C ATOM 658 O PRO 1 46 7.403 -12.580 2.694 1.00 0.00 O ATOM 659 CB PRO 1 46 8.067 -12.370 -0.193 1.00 0.00 C ATOM 660 CG PRO 1 46 7.051 -13.430 -0.589 1.00 0.00 C ATOM 661 CD PRO 1 46 7.520 -14.760 -0.019 1.00 0.00 C ATOM 0 HA PRO 1 46 9.973 -12.718 0.763 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.571 -11.472 0.177 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.672 -12.070 -1.049 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.064 -13.176 -0.203 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 6.964 -13.489 -1.674 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.754 -15.214 0.610 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.745 -15.473 -0.812 1.00 0.00 H new ATOM 669 N TRP 1 47 9.582 -12.062 3.010 1.00 0.00 N ATOM 670 CA TRP 1 47 9.384 -11.575 4.364 1.00 0.00 C ATOM 671 C TRP 1 47 9.039 -10.087 4.286 1.00 0.00 C ATOM 672 O TRP 1 47 9.337 -9.327 5.207 1.00 0.00 O ATOM 673 CB TRP 1 47 10.611 -11.859 5.235 1.00 0.00 C ATOM 674 CG TRP 1 47 11.671 -12.723 4.550 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.706 -14.058 4.445 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.858 -12.254 3.877 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.823 -14.483 3.756 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.546 -13.351 3.399 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.335 -10.946 3.677 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.750 -13.252 2.691 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.539 -10.865 2.968 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.244 -11.960 2.480 1.00 0.00 C ATOM 0 H TRP 1 47 10.545 -12.016 2.676 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.558 -12.099 4.845 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.063 -10.912 5.529 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.288 -12.355 6.150 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.954 -14.719 4.849 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.072 -15.450 3.547 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.814 -10.073 4.042 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.270 -14.126 2.327 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.950 -9.883 2.787 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.168 -11.814 1.941 1.00 0.00 H new ATOM 693 N CYS 1 48 8.416 -9.714 3.178 1.00 0.00 N ATOM 694 CA CYS 1 48 8.027 -8.330 2.967 1.00 0.00 C ATOM 695 C CYS 1 48 7.108 -8.270 1.745 1.00 0.00 C ATOM 696 O CYS 1 48 7.566 -8.400 0.611 1.00 0.00 O ATOM 697 CB CYS 1 48 9.246 -7.418 2.809 1.00 0.00 C ATOM 698 SG CYS 1 48 8.878 -5.627 2.878 1.00 0.00 S ATOM 0 H CYS 1 48 8.171 -10.347 2.416 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.491 -7.963 3.842 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.965 -7.657 3.592 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.727 -7.639 1.856 1.00 0.00 H new ATOM 703 N PHE 1 49 5.826 -8.073 2.018 1.00 0.00 N ATOM 704 CA PHE 1 49 4.838 -7.995 0.955 1.00 0.00 C ATOM 705 C PHE 1 49 3.706 -7.036 1.329 1.00 0.00 C ATOM 706 O PHE 1 49 3.796 -6.324 2.328 1.00 0.00 O ATOM 707 CB PHE 1 49 4.262 -9.401 0.776 1.00 0.00 C ATOM 708 CG PHE 1 49 4.210 -10.221 2.066 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.361 -10.664 2.638 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.011 -10.509 2.640 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.313 -11.425 3.836 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.961 -11.271 3.838 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.114 -11.713 4.410 1.00 0.00 C ATOM 0 H PHE 1 49 5.449 -7.965 2.960 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.303 -7.627 0.040 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.254 -9.320 0.368 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.862 -9.937 0.041 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.313 -10.437 2.181 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.097 -10.158 2.185 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.228 -11.775 4.291 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.009 -11.499 4.294 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.077 -12.293 5.320 1.00 0.00 H new ATOM 723 N LYS 1 50 2.666 -7.051 0.509 1.00 0.00 N ATOM 724 CA LYS 1 50 1.517 -6.192 0.741 1.00 0.00 C ATOM 725 C LYS 1 50 0.263 -7.056 0.892 1.00 0.00 C ATOM 726 O LYS 1 50 -0.591 -7.076 0.006 1.00 0.00 O ATOM 727 CB LYS 1 50 1.408 -5.135 -0.360 1.00 0.00 C ATOM 728 CG LYS 1 50 2.218 -5.540 -1.592 1.00 0.00 C ATOM 729 CD LYS 1 50 3.657 -5.028 -1.495 1.00 0.00 C ATOM 730 CE LYS 1 50 3.685 -3.530 -1.183 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.599 -2.829 -1.904 1.00 0.00 N ATOM 0 H LYS 1 50 2.595 -7.645 -0.317 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.636 -5.638 1.672 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.362 -5.000 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.765 -4.176 0.015 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.220 -6.626 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.746 -5.141 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.190 -5.575 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.179 -5.218 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.576 -3.374 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.649 -3.111 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.881 -1.844 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.417 -3.308 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.734 -2.841 -1.326 1.00 0.00 H new ATOM 745 N PRO 1 51 0.189 -7.765 2.050 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.947 -8.627 2.327 1.00 0.00 C ATOM 747 C PRO 1 51 -2.179 -7.806 2.712 1.00 0.00 C ATOM 748 O PRO 1 51 -2.896 -7.312 1.843 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.478 -9.550 3.440 1.00 0.00 C ATOM 750 CG PRO 1 51 0.733 -8.872 4.062 1.00 0.00 C ATOM 751 CD PRO 1 51 1.181 -7.765 3.121 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.260 -9.202 1.455 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.264 -9.700 4.180 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.217 -10.533 3.048 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.481 -8.463 5.040 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.537 -9.592 4.215 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.214 -6.802 3.630 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.182 -7.955 2.734 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.386 -7.683 4.015 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.518 -6.930 4.525 1.00 0.00 C ATOM 761 C LEU 1 52 -3.087 -5.486 4.790 1.00 0.00 C ATOM 762 O LEU 1 52 -3.589 -4.843 5.711 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.118 -7.627 5.748 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.506 -7.254 7.100 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.527 -6.534 7.984 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.916 -8.485 7.792 1.00 0.00 C ATOM 0 H LEU 1 52 -1.788 -8.093 4.733 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.316 -6.894 3.784 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.185 -7.405 5.781 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.020 -8.704 5.612 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.685 -6.559 6.924 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.067 -6.280 8.939 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.859 -5.622 7.488 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.383 -7.186 8.156 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.487 -8.193 8.751 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.702 -9.222 7.955 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.138 -8.918 7.163 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.161 -5.018 3.967 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.656 -3.663 4.100 1.00 0.00 C ATOM 780 C GLN 1 53 -2.816 -2.667 4.145 1.00 0.00 C ATOM 781 O GLN 1 53 -2.656 -1.543 4.621 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.686 -3.324 2.967 1.00 0.00 C ATOM 783 CG GLN 1 53 0.540 -4.239 3.002 1.00 0.00 C ATOM 784 CD GLN 1 53 1.267 -4.129 4.344 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.656 -5.113 4.952 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.430 -2.879 4.771 1.00 0.00 N ATOM 0 H GLN 1 53 -1.747 -5.554 3.204 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.105 -3.593 5.038 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.193 -3.426 2.007 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.371 -2.284 3.052 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.233 -5.271 2.834 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.220 -3.973 2.193 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.080 -2.100 4.213 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.905 -2.700 5.656 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.958 -3.114 3.644 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.144 -2.275 3.620 1.00 0.00 C ATOM 797 C GLU 1 54 -5.239 -1.453 4.907 1.00 0.00 C ATOM 798 O GLU 1 54 -5.812 -0.364 4.912 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.405 -3.116 3.413 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.661 -2.316 3.765 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.101 -2.592 5.205 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.427 -3.766 5.483 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.102 -1.623 5.994 1.00 0.00 O ATOM 0 H GLU 1 54 -4.087 -4.047 3.251 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.062 -1.587 2.778 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.459 -3.447 2.376 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.355 -4.012 4.032 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.466 -1.251 3.638 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -8.467 -2.576 3.078 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.668 -2.005 5.968 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.680 -1.336 7.257 1.00 0.00 C ATOM 812 C ALA 1 55 -4.592 0.176 7.044 1.00 0.00 C ATOM 813 O ALA 1 55 -5.533 0.907 7.354 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.536 -1.870 8.120 1.00 0.00 C ATOM 0 H ALA 1 55 -4.194 -2.908 5.961 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.611 -1.540 7.786 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.545 -1.368 9.087 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.661 -2.943 8.267 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.585 -1.680 7.622 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.454 0.603 6.515 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.232 2.015 6.256 1.00 0.00 C ATOM 822 C GLU 1 56 -2.573 2.206 4.889 1.00 0.00 C ATOM 823 O GLU 1 56 -1.883 3.199 4.662 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.388 2.649 7.365 1.00 0.00 C ATOM 825 CG GLU 1 56 -1.007 1.997 7.444 1.00 0.00 C ATOM 826 CD GLU 1 56 0.100 3.052 7.403 1.00 0.00 C ATOM 827 OE1 GLU 1 56 0.085 3.926 8.297 1.00 0.00 O ATOM 828 OE2 GLU 1 56 0.937 2.961 6.478 1.00 0.00 O ATOM 0 H GLU 1 56 -2.676 -0.005 6.259 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.198 2.520 6.246 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.279 3.717 7.178 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.899 2.543 8.322 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -0.927 1.416 8.363 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -0.882 1.301 6.615 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.807 1.240 4.013 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.246 1.290 2.674 1.00 0.00 C ATOM 837 C CYS 1 57 -3.353 1.708 1.704 1.00 0.00 C ATOM 838 O CYS 1 57 -3.264 2.760 1.072 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.612 -0.045 2.277 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.127 0.096 1.218 1.00 0.00 S ATOM 0 H CYS 1 57 -3.378 0.417 4.205 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.441 2.024 2.641 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.344 -0.588 3.183 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.358 -0.644 1.755 1.00 0.00 H new ATOM 845 N THR 1 58 -4.369 0.864 1.616 1.00 0.00 N ATOM 846 CA THR 1 58 -5.491 1.132 0.734 1.00 0.00 C ATOM 847 C THR 1 58 -6.277 2.351 1.225 1.00 0.00 C ATOM 848 O THR 1 58 -6.681 3.195 0.428 1.00 0.00 O ATOM 849 CB THR 1 58 -6.337 -0.139 0.643 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.783 -0.164 -0.710 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.627 -0.044 1.460 1.00 0.00 C ATOM 0 H THR 1 58 -4.439 -0.007 2.142 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.151 1.386 -0.270 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.751 -0.990 0.989 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.437 0.552 -0.852 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.190 -0.972 1.361 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.382 0.121 2.509 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.230 0.787 1.093 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.468 2.401 2.535 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.198 3.501 3.142 1.00 0.00 C ATOM 861 C PHE 1 59 -6.976 4.801 2.366 1.00 0.00 C ATOM 862 O PHE 1 59 -7.925 5.394 1.856 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.654 3.669 4.562 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.681 4.201 5.564 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.727 3.419 5.945 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.549 5.455 6.073 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.680 3.912 6.875 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.502 5.948 7.002 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.547 5.166 7.384 1.00 0.00 C ATOM 0 H PHE 1 59 -6.130 1.698 3.193 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.266 3.285 3.138 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.283 2.706 4.914 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.802 4.348 4.535 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.833 2.423 5.540 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.719 6.076 5.770 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.510 3.291 7.178 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.397 6.944 7.406 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.271 5.541 8.092 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.045 15.713 -0.581 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.770 14.671 0.126 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.783 13.606 0.610 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.043 12.915 1.593 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.788 13.989 -0.790 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.836 13.137 -0.072 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.504 11.974 0.244 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.947 13.668 0.145 1.00 0.00 O ATOM 0 HA ASP 2 17 -10.291 15.134 0.964 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.301 14.755 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.251 13.357 -1.498 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.670 13.510 -0.103 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.643 12.542 0.242 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.336 12.605 1.739 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.911 13.417 2.461 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.357 12.800 -0.546 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.631 12.823 -2.051 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.790 13.896 -2.746 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.983 13.820 -4.211 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.090 14.256 -5.111 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.936 14.801 -4.699 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.350 14.147 -6.419 1.00 0.00 N ATOM 0 H ARG 2 18 -7.457 14.086 -0.917 1.00 0.00 H new ATOM 0 HA ARG 2 18 -7.021 11.552 -0.014 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.922 13.751 -0.237 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.625 12.025 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.407 11.846 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.689 13.014 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.075 14.884 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.737 13.759 -2.502 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.850 13.410 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.738 14.883 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.256 15.133 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.228 13.732 -6.732 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.670 14.479 -7.103 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.430 11.733 2.162 1.00 0.00 N ATOM 1144 CA VAL 2 19 -5.041 11.680 3.560 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.568 12.073 3.691 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.917 11.737 4.680 1.00 0.00 O ATOM 1147 CB VAL 2 19 -5.343 10.294 4.134 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -5.109 10.264 5.646 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.769 9.857 3.791 1.00 0.00 C ATOM 0 H VAL 2 19 -4.956 11.059 1.561 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.621 12.394 4.145 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.655 9.584 3.674 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -5.331 9.268 6.029 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -4.069 10.511 5.858 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.761 10.992 6.130 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.958 8.869 4.211 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -7.479 10.571 4.209 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.888 9.820 2.708 1.00 0.00 H new ATOM 1159 N ASP 2 20 -3.085 12.777 2.678 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.701 13.220 2.668 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.828 12.166 3.352 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.653 12.195 4.569 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.537 14.536 3.429 1.00 0.00 C ATOM 1164 CG ASP 2 20 -0.171 14.736 4.089 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 0.789 15.007 3.336 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 -0.117 14.613 5.331 1.00 0.00 O ATOM 0 H ASP 2 20 -3.627 13.052 1.859 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.402 13.365 1.630 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.715 15.361 2.740 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -2.307 14.592 4.198 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.304 11.259 2.539 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.546 10.198 3.051 1.00 0.00 C ATOM 1173 C CYS 2 21 1.681 10.837 3.855 1.00 0.00 C ATOM 1174 O CYS 2 21 2.135 10.275 4.851 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.075 9.305 1.927 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.132 7.520 2.327 1.00 0.00 S ATOM 0 H CYS 2 21 -0.452 11.238 1.530 1.00 0.00 H new ATOM 0 HA CYS 2 21 -0.035 9.545 3.702 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.449 9.446 1.045 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.079 9.636 1.661 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.107 12.003 3.392 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.181 12.724 4.054 1.00 0.00 C ATOM 1183 C GLY 2 22 4.435 11.856 4.169 1.00 0.00 C ATOM 1184 O GLY 2 22 4.946 11.639 5.267 1.00 0.00 O ATOM 0 H GLY 2 22 1.728 12.466 2.566 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.412 13.631 3.496 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 2.857 13.034 5.047 1.00 0.00 H new ATOM 1188 N TYR 2 23 4.896 11.383 3.021 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.081 10.544 2.979 1.00 0.00 C ATOM 1190 C TYR 2 23 7.345 11.388 2.799 1.00 0.00 C ATOM 1191 O TYR 2 23 7.341 12.368 2.056 1.00 0.00 O ATOM 1192 CB TYR 2 23 5.912 9.636 1.759 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.283 8.174 2.014 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 5.938 7.573 3.207 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 6.964 7.457 1.051 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.288 6.197 3.449 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.314 6.081 1.293 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.958 5.519 2.479 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.289 4.219 2.706 1.00 0.00 O ATOM 0 H TYR 2 23 4.470 11.565 2.112 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.186 9.983 3.907 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 4.876 9.684 1.424 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.528 10.020 0.946 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 5.405 8.135 3.960 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.234 7.927 0.117 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.025 5.715 4.379 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 7.847 5.508 0.549 1.00 0.00 H new ATOM 0 HH TYR 2 23 8.239 4.083 2.505 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.424 10.965 3.512 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.692 11.672 3.439 1.00 0.00 C ATOM 1211 C PRO 2 24 10.406 11.380 2.118 1.00 0.00 C ATOM 1212 O PRO 2 24 11.386 12.043 1.779 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.474 11.201 4.654 1.00 0.00 C ATOM 1214 CG PRO 2 24 9.809 9.910 5.103 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.465 9.808 4.402 1.00 0.00 C ATOM 0 HA PRO 2 24 9.572 12.755 3.454 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.522 11.034 4.403 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.451 11.948 5.447 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.435 9.052 4.855 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 9.676 9.906 6.185 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.379 8.876 3.844 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 7.643 9.829 5.117 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.888 10.389 1.408 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.464 10.003 0.131 1.00 0.00 C ATOM 1225 C HIS 2 25 9.394 10.080 -0.960 1.00 0.00 C ATOM 1226 O HIS 2 25 9.426 9.314 -1.922 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.116 8.622 0.225 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.623 8.647 0.130 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.424 9.278 1.065 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.466 8.111 -0.800 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.689 9.123 0.705 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.714 8.401 -0.451 1.00 0.00 N ATOM 0 H HIS 2 25 9.076 9.842 1.693 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.258 10.699 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.829 8.160 1.170 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.722 7.991 -0.571 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.169 7.547 -1.672 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.550 9.502 1.235 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.553 8.128 -0.963 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.471 11.012 -0.774 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.393 11.199 -1.730 1.00 0.00 C ATOM 1243 C VAL 2 26 7.981 11.336 -3.136 1.00 0.00 C ATOM 1244 O VAL 2 26 8.768 12.244 -3.397 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.534 12.397 -1.322 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.404 13.543 -0.800 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.654 12.862 -2.483 1.00 0.00 C ATOM 0 H VAL 2 26 8.447 11.646 0.025 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.734 10.331 -1.737 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.878 12.078 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.769 14.382 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 7.968 13.205 0.070 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.096 13.859 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.054 13.715 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.284 13.154 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.996 12.049 -2.789 1.00 0.00 H new ATOM 1257 N THR 2 27 7.577 10.419 -4.002 1.00 0.00 N ATOM 1258 CA THR 2 27 8.054 10.427 -5.375 1.00 0.00 C ATOM 1259 C THR 2 27 7.238 9.455 -6.229 1.00 0.00 C ATOM 1260 O THR 2 27 6.665 8.498 -5.710 1.00 0.00 O ATOM 1261 CB THR 2 27 9.551 10.108 -5.356 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.149 11.213 -6.030 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.904 8.903 -6.230 1.00 0.00 C ATOM 0 H THR 2 27 6.925 9.666 -3.780 1.00 0.00 H new ATOM 0 HA THR 2 27 7.920 11.406 -5.835 1.00 0.00 H new ATOM 0 HB THR 2 27 9.869 9.918 -4.331 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.121 11.090 -6.062 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.977 8.720 -6.181 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.369 8.024 -5.871 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.617 9.106 -7.262 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.208 9.742 -7.557 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.470 8.906 -8.488 1.00 0.00 C ATOM 1273 C PRO 2 28 7.213 7.594 -8.754 1.00 0.00 C ATOM 1274 O PRO 2 28 7.424 7.218 -9.906 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.305 9.756 -9.737 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.350 10.856 -9.633 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.874 10.868 -8.207 1.00 0.00 C ATOM 0 HA PRO 2 28 5.499 8.601 -8.099 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.453 9.160 -10.638 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.301 10.175 -9.794 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.163 10.678 -10.337 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.914 11.822 -9.888 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.958 10.755 -8.183 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.640 11.808 -7.707 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.591 6.935 -7.668 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.305 5.674 -7.768 1.00 0.00 C ATOM 1287 C LYS 2 29 8.482 5.079 -6.369 1.00 0.00 C ATOM 1288 O LYS 2 29 8.666 3.873 -6.222 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.620 5.862 -8.528 1.00 0.00 C ATOM 1290 CG LYS 2 29 10.282 4.514 -8.820 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.658 4.397 -10.299 1.00 0.00 C ATOM 1292 CE LYS 2 29 12.037 3.756 -10.466 1.00 0.00 C ATOM 1293 NZ LYS 2 29 13.062 4.793 -10.724 1.00 0.00 N ATOM 0 H LYS 2 29 7.416 7.251 -6.714 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.728 4.955 -8.349 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.431 6.389 -9.463 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.297 6.484 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 11.174 4.402 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.604 3.705 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.910 3.801 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.655 5.386 -10.758 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 12.296 3.196 -9.567 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 12.016 3.044 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 13.992 4.342 -10.835 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 12.822 5.310 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 13.093 5.457 -9.924 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.421 5.956 -5.377 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.572 5.534 -3.995 1.00 0.00 C ATOM 1309 C GLU 2 30 7.201 5.392 -3.330 1.00 0.00 C ATOM 1310 O GLU 2 30 6.940 4.405 -2.644 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.460 6.508 -3.218 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.845 5.907 -2.968 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.759 6.114 -4.177 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.459 5.505 -5.227 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.737 6.878 -4.025 1.00 0.00 O ATOM 0 H GLU 2 30 8.269 6.957 -5.503 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.062 4.560 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.559 7.439 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 8.989 6.755 -2.266 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.292 6.368 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.750 4.842 -2.757 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.363 6.392 -3.557 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.026 6.391 -2.989 1.00 0.00 C ATOM 1324 C CYS 2 31 4.260 5.197 -3.563 1.00 0.00 C ATOM 1325 O CYS 2 31 3.729 4.378 -2.814 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.299 7.713 -3.248 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.701 9.054 -2.069 1.00 0.00 S ATOM 0 H CYS 2 31 6.584 7.209 -4.127 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.090 6.294 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.538 8.051 -4.256 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.224 7.532 -3.218 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.229 5.135 -4.886 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.537 4.055 -5.569 1.00 0.00 C ATOM 1334 C ASN 2 32 4.253 2.734 -5.279 1.00 0.00 C ATOM 1335 O ASN 2 32 3.790 1.670 -5.688 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.538 4.272 -7.083 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.296 5.045 -7.527 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.063 6.148 -6.820 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.595 4.667 -8.452 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.672 5.815 -5.503 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.508 4.031 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.435 4.819 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.572 3.309 -7.592 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.830 3.811 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.774 5.208 -8.724 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.371 2.845 -4.576 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.155 1.672 -4.227 1.00 0.00 C ATOM 1348 C ASN 2 33 5.931 1.336 -2.751 1.00 0.00 C ATOM 1349 O ASN 2 33 6.015 0.174 -2.357 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.649 1.928 -4.432 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.486 0.787 -3.848 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.230 -0.383 -4.076 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.496 1.194 -3.085 1.00 0.00 N ATOM 0 H ASN 2 33 5.752 3.729 -4.239 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.838 0.850 -4.870 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.861 2.032 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.929 2.869 -3.958 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.114 0.509 -2.649 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.653 2.191 -2.936 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.651 2.373 -1.976 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.414 2.201 -0.553 1.00 0.00 C ATOM 1362 C ARG 2 34 3.940 1.881 -0.295 1.00 0.00 C ATOM 1363 O ARG 2 34 3.617 1.129 0.624 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.800 3.461 0.225 1.00 0.00 C ATOM 1365 CG ARG 2 34 4.660 4.483 0.214 1.00 0.00 C ATOM 1366 CD ARG 2 34 3.648 4.188 1.323 1.00 0.00 C ATOM 1367 NE ARG 2 34 3.783 5.184 2.408 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.326 5.003 3.656 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 2.701 3.863 3.982 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 3.494 5.962 4.577 1.00 0.00 N ATOM 0 H ARG 2 34 5.583 3.336 -2.307 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.034 1.372 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.046 3.197 1.253 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.694 3.904 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.065 5.486 0.344 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.160 4.464 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 2.636 4.213 0.919 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 3.810 3.185 1.717 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.253 6.064 2.194 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 2.573 3.133 3.281 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.353 3.725 4.931 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 3.969 6.830 4.329 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 3.146 5.824 5.526 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.087 2.468 -1.120 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.655 2.254 -0.993 1.00 0.00 C ATOM 1386 C GLY 2 35 0.900 3.585 -0.995 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.191 3.684 -0.436 1.00 0.00 O ATOM 0 H GLY 2 35 3.359 3.092 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.302 1.630 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.445 1.714 -0.070 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.511 4.575 -1.630 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.910 5.894 -1.712 1.00 0.00 C ATOM 1393 C CYS 2 36 0.724 6.246 -3.189 1.00 0.00 C ATOM 1394 O CYS 2 36 1.223 5.543 -4.067 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.747 6.944 -0.978 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.889 6.686 0.829 1.00 0.00 S ATOM 0 H CYS 2 36 2.416 4.489 -2.092 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.060 5.885 -1.216 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.748 6.956 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.311 7.927 -1.157 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.002 7.333 -3.420 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.257 7.787 -4.775 1.00 0.00 C ATOM 1403 C CYS 2 37 0.366 9.173 -4.946 1.00 0.00 C ATOM 1404 O CYS 2 37 0.109 10.075 -4.151 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.754 7.791 -5.094 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.163 7.546 -6.861 1.00 0.00 S ATOM 0 H CYS 2 37 -0.412 7.913 -2.690 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.198 7.096 -5.485 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.237 7.007 -4.512 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.179 8.740 -4.765 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.454 7.565 -7.014 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.175 9.299 -5.988 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.838 10.560 -6.273 1.00 0.00 C ATOM 1413 C PHE 2 38 1.087 11.342 -7.352 1.00 0.00 C ATOM 1414 O PHE 2 38 0.967 10.883 -8.487 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.239 10.223 -6.785 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.154 11.440 -6.941 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.854 11.906 -5.872 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.269 12.054 -8.149 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.702 13.035 -6.016 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.118 13.183 -8.293 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.817 13.650 -7.224 1.00 0.00 C ATOM 0 H PHE 2 38 1.386 8.548 -6.645 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.871 11.175 -5.374 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.705 9.516 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 3.152 9.721 -7.749 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.765 11.417 -4.913 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.715 11.683 -8.998 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.256 13.406 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 5.209 13.671 -9.252 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.463 14.509 -7.334 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.600 12.511 -6.961 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.135 13.361 -7.880 1.00 0.00 C ATOM 1433 C ASP 2 39 0.852 14.208 -8.687 1.00 0.00 C ATOM 1434 O ASP 2 39 1.162 13.885 -9.832 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.068 14.312 -7.127 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.766 15.358 -7.997 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.630 14.943 -8.799 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.420 16.549 -7.841 1.00 0.00 O ATOM 0 H ASP 2 39 0.701 12.889 -6.019 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.726 12.718 -8.532 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.828 13.721 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.493 14.827 -6.357 1.00 0.00 H new ATOM 1443 N SER 2 40 1.319 15.275 -8.056 1.00 0.00 N ATOM 1444 CA SER 2 40 2.265 16.171 -8.700 1.00 0.00 C ATOM 1445 C SER 2 40 1.514 17.247 -9.489 1.00 0.00 C ATOM 1446 O SER 2 40 2.082 18.283 -9.827 1.00 0.00 O ATOM 1447 CB SER 2 40 3.213 15.401 -9.622 1.00 0.00 C ATOM 1448 OG SER 2 40 4.503 16.002 -9.683 1.00 0.00 O ATOM 0 H SER 2 40 1.060 15.540 -7.106 1.00 0.00 H new ATOM 0 HA SER 2 40 2.864 16.650 -7.925 1.00 0.00 H new ATOM 0 HB2 SER 2 40 3.308 14.374 -9.269 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.787 15.355 -10.624 1.00 0.00 H new ATOM 0 HG SER 2 40 5.126 15.496 -9.121 1.00 0.00 H new ATOM 1454 N ARG 2 41 0.249 16.962 -9.758 1.00 0.00 N ATOM 1455 CA ARG 2 41 -0.586 17.891 -10.501 1.00 0.00 C ATOM 1456 C ARG 2 41 -0.651 19.239 -9.778 1.00 0.00 C ATOM 1457 O ARG 2 41 -0.421 20.284 -10.386 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.004 17.343 -10.671 1.00 0.00 C ATOM 1459 CG ARG 2 41 -1.999 16.057 -11.501 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.262 15.953 -12.357 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.194 16.914 -13.481 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.079 16.960 -14.486 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.105 16.099 -14.514 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.937 17.866 -15.462 1.00 0.00 N ATOM 0 H ARG 2 41 -0.219 16.101 -9.475 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.140 18.023 -11.487 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.442 17.147 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -2.631 18.091 -11.156 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.118 16.037 -12.142 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -1.931 15.193 -10.840 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.368 14.939 -12.741 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.142 16.156 -11.747 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.425 17.584 -13.491 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.212 15.409 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.779 16.134 -15.279 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.155 18.521 -15.440 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.611 17.901 -16.227 1.00 0.00 H new ATOM 1478 N ILE 2 42 -0.966 19.171 -8.494 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.065 20.373 -7.683 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.001 20.329 -6.583 1.00 0.00 C ATOM 1481 O ILE 2 42 0.056 19.377 -5.807 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.489 20.547 -7.153 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.479 19.698 -7.954 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -2.888 22.024 -7.128 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -4.906 19.880 -7.432 1.00 0.00 C ATOM 0 H ILE 2 42 -1.156 18.302 -7.994 1.00 0.00 H new ATOM 0 HA ILE 2 42 -0.865 21.258 -8.287 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.517 20.189 -6.124 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.435 19.978 -9.007 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.196 18.647 -7.891 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.905 22.120 -6.747 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.205 22.575 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -2.839 22.431 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.589 19.266 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -4.952 19.577 -6.386 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.194 20.928 -7.519 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.836 21.400 -6.551 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.895 21.493 -5.559 1.00 0.00 C ATOM 1499 C PRO 2 43 1.327 21.851 -4.184 1.00 0.00 C ATOM 1500 O PRO 2 43 2.012 21.715 -3.172 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.849 22.546 -6.100 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.061 23.332 -7.135 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.798 22.547 -7.454 1.00 0.00 C ATOM 0 HA PRO 2 43 2.413 20.546 -5.406 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.204 23.198 -5.302 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.728 22.083 -6.548 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.809 24.321 -6.753 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.656 23.480 -8.036 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.095 23.150 -7.290 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.782 22.230 -8.497 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.082 22.304 -4.192 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.585 22.682 -2.959 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.297 21.483 -2.329 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.761 21.559 -1.192 1.00 0.00 O ATOM 0 H GLY 2 44 -0.482 22.418 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.144 23.086 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.307 23.473 -3.160 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.360 20.403 -3.095 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.007 19.190 -2.627 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.941 18.146 -2.291 1.00 0.00 C ATOM 1521 O VAL 2 45 0.235 18.330 -2.605 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.016 18.701 -3.668 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.515 17.434 -4.365 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -4.389 18.469 -3.034 1.00 0.00 C ATOM 0 H VAL 2 45 -0.973 20.344 -4.037 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.570 19.385 -1.714 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.122 19.480 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.251 17.108 -5.100 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.570 17.644 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.367 16.647 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -5.087 18.122 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -4.305 17.717 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -4.754 19.402 -2.605 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.401 17.043 -1.642 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.499 15.969 -1.260 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.101 15.130 -2.475 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.946 14.481 -3.090 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.258 15.172 -0.211 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.721 15.549 -0.380 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.785 16.790 -1.255 1.00 0.00 C ATOM 0 HA PRO 2 46 0.445 16.336 -0.857 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.112 14.101 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.906 15.412 0.792 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.276 14.730 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -3.180 15.742 0.590 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.417 16.627 -2.128 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.205 17.636 -0.712 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.186 15.169 -2.785 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.707 14.419 -3.916 1.00 0.00 C ATOM 1550 C TRP 2 47 2.074 13.017 -3.426 1.00 0.00 C ATOM 1551 O TRP 2 47 2.969 12.378 -3.975 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.883 15.152 -4.565 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.089 16.577 -4.049 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.381 17.675 -4.349 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.104 17.017 -3.122 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.865 18.785 -3.688 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.945 18.372 -2.917 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.124 16.293 -2.478 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.769 19.122 -2.069 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.939 17.057 -1.633 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.792 18.422 -1.417 1.00 0.00 C ATOM 0 H TRP 2 47 1.884 15.708 -2.273 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.953 14.328 -4.698 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.794 14.579 -4.393 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.726 15.186 -5.643 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.538 17.689 -5.023 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.498 19.734 -3.753 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.267 15.232 -2.624 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.624 20.183 -1.926 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.738 16.550 -1.113 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.464 18.941 -0.749 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.363 12.580 -2.396 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.602 11.266 -1.826 1.00 0.00 C ATOM 1574 C CYS 2 48 0.491 10.969 -0.818 1.00 0.00 C ATOM 1575 O CYS 2 48 0.511 11.478 0.302 1.00 0.00 O ATOM 1576 CB CYS 2 48 2.991 11.169 -1.190 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.517 9.473 -0.749 1.00 0.00 S ATOM 0 H CYS 2 48 0.621 13.113 -1.942 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.583 10.516 -2.617 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.721 11.593 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.007 11.785 -0.291 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.454 10.147 -1.252 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.573 9.778 -0.401 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.918 8.296 -0.563 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.200 7.558 -1.236 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.770 10.620 -0.845 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.738 11.017 -2.322 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.750 11.829 -2.787 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.697 10.560 -3.170 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.720 12.198 -4.158 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.667 10.928 -4.542 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.679 11.739 -5.006 1.00 0.00 C ATOM 0 H PHE 2 49 -0.468 9.726 -2.181 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.319 9.953 0.645 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.686 10.063 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.811 11.524 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.988 12.193 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.482 9.917 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.936 12.843 -4.527 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.428 10.564 -5.216 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.656 12.019 -6.049 1.00 0.00 H new ATOM 1602 N LYS 2 50 -3.017 7.906 0.065 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.467 6.526 -0.002 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.873 6.480 -0.602 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.838 6.158 0.090 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.364 5.862 1.373 1.00 0.00 C ATOM 1607 CG LYS 2 50 -4.114 6.674 2.432 1.00 0.00 C ATOM 1608 CD LYS 2 50 -3.267 6.843 3.695 1.00 0.00 C ATOM 1609 CE LYS 2 50 -2.036 7.708 3.417 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.222 7.861 4.645 1.00 0.00 N ATOM 0 H LYS 2 50 -3.609 8.521 0.623 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.820 5.947 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.774 4.853 1.325 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.316 5.767 1.657 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.372 7.653 2.029 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -5.050 6.175 2.682 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -3.867 7.300 4.481 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.954 5.865 4.061 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.435 7.253 2.629 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -2.347 8.688 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -1.371 8.810 5.045 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.506 7.143 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -0.216 7.738 4.412 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.948 6.817 -1.918 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.220 6.817 -2.619 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.680 5.389 -2.923 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.063 4.652 -2.017 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.978 7.641 -3.873 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.469 7.682 -4.060 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.826 7.203 -2.768 1.00 0.00 C ATOM 0 HA PRO 2 51 -7.027 7.246 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.467 7.190 -4.737 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.386 8.646 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.170 7.046 -4.894 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.141 8.694 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.157 6.362 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.231 7.991 -2.306 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.625 5.044 -4.201 1.00 0.00 N ATOM 1639 CA LEU 2 52 -7.031 3.718 -4.636 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.815 2.789 -4.628 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.661 1.954 -5.519 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.740 3.791 -5.989 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.840 3.713 -7.223 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -5.467 4.325 -6.939 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.733 2.276 -7.735 1.00 0.00 C ATOM 0 H LEU 2 52 -6.306 5.659 -4.949 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.760 3.297 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.465 2.979 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.302 4.724 -6.032 1.00 0.00 H new ATOM 0 HG LEU 2 52 -7.298 4.303 -8.017 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -4.846 4.257 -7.832 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -5.586 5.372 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -4.989 3.783 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.087 2.250 -8.613 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -6.311 1.642 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -7.724 1.910 -8.003 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.982 2.965 -3.612 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.785 2.153 -3.478 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.134 0.669 -3.597 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.269 -0.155 -3.891 1.00 0.00 O ATOM 1661 CB GLN 2 53 -3.070 2.445 -2.156 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.613 3.904 -2.091 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.636 4.223 -3.225 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.443 3.988 -3.135 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.209 4.770 -4.293 1.00 0.00 N ATOM 0 H GLN 2 53 -5.113 3.658 -2.875 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.102 2.411 -4.287 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.739 2.232 -1.322 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.209 1.785 -2.051 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.479 4.563 -2.156 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -2.136 4.097 -1.130 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.215 4.940 -4.302 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.643 5.020 -5.104 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.404 0.371 -3.360 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.877 -1.000 -3.437 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.248 -1.713 -4.635 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.153 -2.940 -4.652 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.405 -1.048 -3.510 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.904 -0.579 -4.878 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.615 -1.711 -5.621 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.678 -2.138 -5.120 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -8.081 -2.123 -6.673 1.00 0.00 O ATOM 0 H GLU 2 54 -6.119 1.056 -3.115 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.572 -1.521 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.750 -2.065 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.830 -0.418 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.586 0.262 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.063 -0.221 -5.472 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.835 -0.915 -5.608 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.217 -1.455 -6.807 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.455 -2.733 -6.452 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.826 -3.822 -6.888 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.314 -0.393 -7.438 1.00 0.00 C ATOM 0 H ALA 2 55 -4.916 0.102 -5.591 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.975 -1.718 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.850 -0.798 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.909 0.482 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.539 -0.106 -6.728 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.404 -2.558 -5.665 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.586 -3.684 -5.247 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.173 -3.525 -3.782 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.260 -4.203 -3.314 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.360 -3.836 -6.148 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.607 -4.884 -7.236 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.346 -4.682 -8.417 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.527 -5.063 -8.265 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.129 -4.153 -9.445 1.00 0.00 O ATOM 0 H GLU 2 56 -2.100 -1.653 -5.306 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.180 -4.593 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.121 -2.877 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.503 -4.125 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.472 -5.883 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.639 -4.819 -7.581 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.866 -2.625 -3.099 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.583 -2.368 -1.698 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.489 -3.265 -0.852 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.006 -4.047 -0.034 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.757 -0.890 -1.347 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.293 -0.107 -0.575 1.00 0.00 S ATOM 0 H CYS 2 57 -2.623 -2.065 -3.491 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.540 -2.604 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.008 -0.342 -2.255 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.605 -0.789 -0.670 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.787 -3.122 -1.079 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.766 -3.910 -0.348 1.00 0.00 C ATOM 1726 C THR 2 58 -4.641 -5.390 -0.717 1.00 0.00 C ATOM 1727 O THR 2 58 -4.710 -6.258 0.151 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.150 -3.327 -0.632 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.982 -3.902 0.371 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.743 -3.838 -1.946 1.00 0.00 C ATOM 0 H THR 2 58 -4.183 -2.473 -1.758 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.592 -3.860 0.727 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.086 -2.239 -0.662 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.900 -3.576 0.262 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.726 -3.393 -2.099 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.088 -3.563 -2.772 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.839 -4.923 -1.904 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.462 -5.631 -2.007 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.329 -6.991 -2.503 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.626 -7.882 -1.477 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.900 -8.804 -1.844 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.476 -6.924 -3.771 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.218 -7.337 -5.043 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.292 -6.620 -5.468 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.804 -8.424 -5.749 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.981 -7.004 -6.648 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.492 -8.808 -6.930 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.566 -8.090 -7.355 1.00 0.00 C ATOM 0 H PHE 2 59 -4.406 -4.908 -2.724 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.315 -7.414 -2.698 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.105 -5.906 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.605 -7.568 -3.645 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.621 -5.758 -4.907 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.952 -8.995 -5.411 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.835 -6.434 -6.985 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -4.163 -9.670 -7.491 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -6.089 -8.382 -8.254 1.00 0.00 H new