USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 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 180:sc= -1.3 USER MOD Single : 1 25 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.074) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.412 F(o=-2.5,f=-0.41) USER MOD Single : 1 33 ASN : amide:sc= -0.0608 X(o=-0.061,f=-0.053) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.204 USER MOD Single : 1 40 SER OG : rot 180:sc= 0 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=-18!) USER MOD Single : 1 58 THR OG1 : rot -121:sc= -2.53! USER MOD Single : 2 23 TYR OH : rot 161:sc= -0.738 USER MOD Single : 2 25 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : 2 27 THR OG1 : rot 59:sc= 0.127 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.116 F(o=-1.3,f=-0.12) USER MOD Single : 2 33 ASN : amide:sc= -0.063 K(o=-0.063,f=-1.6!) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0809 USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ -152:sc= -0.92 (180deg=-2.16) USER MOD Single : 2 53 GLN : amide:sc= -11.9! C(o=-12!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.67 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.469 -16.217 -2.385 1.00 0.00 N ATOM 229 CA ASP 1 17 1.326 -15.587 -3.024 1.00 0.00 C ATOM 230 C ASP 1 17 1.411 -14.072 -2.832 1.00 0.00 C ATOM 231 O ASP 1 17 0.450 -13.354 -3.104 1.00 0.00 O ATOM 232 CB ASP 1 17 0.014 -16.070 -2.403 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.253 -15.518 -3.059 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.717 -16.159 -4.027 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.730 -14.467 -2.579 1.00 0.00 O ATOM 0 HA ASP 1 17 1.343 -15.850 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.014 -17.159 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.007 -15.798 -1.348 1.00 0.00 H new ATOM 240 N ARG 1 18 2.569 -13.630 -2.366 1.00 0.00 N ATOM 241 CA ARG 1 18 2.792 -12.213 -2.135 1.00 0.00 C ATOM 242 C ARG 1 18 3.411 -11.564 -3.375 1.00 0.00 C ATOM 243 O ARG 1 18 3.600 -12.223 -4.395 1.00 0.00 O ATOM 244 CB ARG 1 18 3.715 -11.989 -0.935 1.00 0.00 C ATOM 245 CG ARG 1 18 3.325 -12.896 0.234 1.00 0.00 C ATOM 246 CD ARG 1 18 4.560 -13.554 0.853 1.00 0.00 C ATOM 247 NE ARG 1 18 4.157 -14.434 1.971 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.930 -14.703 3.032 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.152 -14.161 3.125 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.481 -15.513 4.001 1.00 0.00 N ATOM 0 H ARG 1 18 3.364 -14.229 -2.142 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.825 -11.755 -1.925 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.747 -12.186 -1.224 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.665 -10.946 -0.623 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.801 -12.314 0.992 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.634 -13.665 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.091 -14.132 0.097 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.249 -12.789 1.211 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.233 -14.863 1.932 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.494 -13.544 2.388 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.741 -14.366 3.933 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.551 -15.925 3.931 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 5.070 -15.717 4.808 1.00 0.00 H new ATOM 264 N VAL 1 19 3.710 -10.280 -3.244 1.00 0.00 N ATOM 265 CA VAL 1 19 4.304 -9.534 -4.341 1.00 0.00 C ATOM 266 C VAL 1 19 5.717 -9.097 -3.948 1.00 0.00 C ATOM 267 O VAL 1 19 6.259 -8.153 -4.520 1.00 0.00 O ATOM 268 CB VAL 1 19 3.400 -8.361 -4.725 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.705 -7.878 -6.145 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.924 -8.736 -4.579 1.00 0.00 C ATOM 0 H VAL 1 19 3.552 -9.737 -2.395 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.393 -10.162 -5.227 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.606 -7.539 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.049 -7.044 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.744 -7.553 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.539 -8.693 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.303 -7.885 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.697 -9.580 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.719 -9.011 -3.544 1.00 0.00 H new ATOM 280 N ASP 1 20 6.272 -9.804 -2.975 1.00 0.00 N ATOM 281 CA ASP 1 20 7.611 -9.501 -2.500 1.00 0.00 C ATOM 282 C ASP 1 20 7.851 -7.993 -2.593 1.00 0.00 C ATOM 283 O ASP 1 20 8.333 -7.499 -3.611 1.00 0.00 O ATOM 284 CB ASP 1 20 8.670 -10.202 -3.353 1.00 0.00 C ATOM 285 CG ASP 1 20 10.005 -9.462 -3.463 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.556 -9.122 -2.395 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.443 -9.254 -4.615 1.00 0.00 O ATOM 0 H ASP 1 20 5.819 -10.586 -2.502 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.690 -9.849 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.854 -11.192 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.269 -10.348 -4.356 1.00 0.00 H new ATOM 292 N CYS 1 21 7.504 -7.303 -1.516 1.00 0.00 N ATOM 293 CA CYS 1 21 7.676 -5.861 -1.464 1.00 0.00 C ATOM 294 C CYS 1 21 9.108 -5.533 -1.888 1.00 0.00 C ATOM 295 O CYS 1 21 9.356 -4.496 -2.503 1.00 0.00 O ATOM 296 CB CYS 1 21 7.348 -5.303 -0.078 1.00 0.00 C ATOM 297 SG CYS 1 21 6.467 -3.699 -0.085 1.00 0.00 S ATOM 0 H CYS 1 21 7.105 -7.716 -0.673 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.977 -5.383 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.741 -6.033 0.458 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.277 -5.189 0.481 1.00 0.00 H new ATOM 302 N GLY 1 22 10.016 -6.434 -1.543 1.00 0.00 N ATOM 303 CA GLY 1 22 11.417 -6.253 -1.880 1.00 0.00 C ATOM 304 C GLY 1 22 11.946 -4.926 -1.331 1.00 0.00 C ATOM 305 O GLY 1 22 12.466 -4.104 -2.083 1.00 0.00 O ATOM 0 H GLY 1 22 9.808 -7.292 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.002 -7.078 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.540 -6.278 -2.963 1.00 0.00 H new ATOM 309 N TYR 1 23 11.793 -4.759 -0.026 1.00 0.00 N ATOM 310 CA TYR 1 23 12.249 -3.546 0.632 1.00 0.00 C ATOM 311 C TYR 1 23 13.692 -3.695 1.118 1.00 0.00 C ATOM 312 O TYR 1 23 14.087 -4.762 1.584 1.00 0.00 O ATOM 313 CB TYR 1 23 11.333 -3.353 1.841 1.00 0.00 C ATOM 314 CG TYR 1 23 10.873 -1.909 2.050 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.561 -1.120 0.961 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.771 -1.394 3.326 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.129 0.240 1.157 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.339 -0.034 3.522 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.039 0.716 2.428 1.00 0.00 C ATOM 320 OH TYR 1 23 9.631 1.999 2.613 1.00 0.00 O ATOM 0 H TYR 1 23 11.360 -5.443 0.594 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.217 -2.701 -0.056 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.456 -3.989 1.724 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.855 -3.690 2.737 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.641 -1.523 -0.038 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.015 -2.011 4.178 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.882 0.868 0.314 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.255 0.381 4.516 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.613 2.202 3.572 1.00 0.00 H new ATOM 330 N PRO 1 24 14.460 -2.580 0.990 1.00 0.00 N ATOM 331 CA PRO 1 24 15.850 -2.576 1.411 1.00 0.00 C ATOM 332 C PRO 1 24 15.961 -2.518 2.936 1.00 0.00 C ATOM 333 O PRO 1 24 17.049 -2.672 3.489 1.00 0.00 O ATOM 334 CB PRO 1 24 16.465 -1.366 0.726 1.00 0.00 C ATOM 335 CG PRO 1 24 15.300 -0.478 0.322 1.00 0.00 C ATOM 336 CD PRO 1 24 14.025 -1.297 0.443 1.00 0.00 C ATOM 0 HA PRO 1 24 16.377 -3.488 1.130 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.143 -0.839 1.398 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.048 -1.665 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.251 0.402 0.963 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.429 -0.121 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.303 -0.811 1.099 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.541 -1.423 -0.526 1.00 0.00 H new ATOM 344 N HIS 1 25 14.819 -2.297 3.572 1.00 0.00 N ATOM 345 CA HIS 1 25 14.775 -2.218 5.022 1.00 0.00 C ATOM 346 C HIS 1 25 13.638 -3.096 5.550 1.00 0.00 C ATOM 347 O HIS 1 25 12.825 -2.647 6.356 1.00 0.00 O ATOM 348 CB HIS 1 25 14.664 -0.763 5.484 1.00 0.00 C ATOM 349 CG HIS 1 25 15.994 -0.073 5.665 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.166 1.287 5.468 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.213 -0.566 6.027 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.435 1.586 5.703 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.083 0.436 6.048 1.00 0.00 N ATOM 0 H HIS 1 25 13.919 -2.170 3.110 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.707 -2.601 5.439 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.073 -0.206 4.757 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.119 -0.733 6.428 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.433 -1.598 6.258 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.879 2.568 5.634 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.073 0.359 6.283 1.00 0.00 H new ATOM 362 N VAL 1 26 13.619 -4.332 5.074 1.00 0.00 N ATOM 363 CA VAL 1 26 12.597 -5.277 5.487 1.00 0.00 C ATOM 364 C VAL 1 26 12.771 -5.595 6.974 1.00 0.00 C ATOM 365 O VAL 1 26 13.828 -6.062 7.391 1.00 0.00 O ATOM 366 CB VAL 1 26 12.647 -6.523 4.600 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.092 -6.950 4.335 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.841 -7.668 5.217 1.00 0.00 C ATOM 0 H VAL 1 26 14.296 -4.701 4.406 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.605 -4.844 5.362 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.192 -6.271 3.642 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.099 -7.838 3.702 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.624 -6.142 3.832 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.584 -7.175 5.281 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.893 -8.541 4.567 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.254 -7.918 6.194 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.801 -7.361 5.330 1.00 0.00 H new ATOM 378 N THR 1 27 11.718 -5.327 7.731 1.00 0.00 N ATOM 379 CA THR 1 27 11.741 -5.577 9.162 1.00 0.00 C ATOM 380 C THR 1 27 10.334 -5.450 9.748 1.00 0.00 C ATOM 381 O THR 1 27 9.489 -4.743 9.201 1.00 0.00 O ATOM 382 CB THR 1 27 12.751 -4.618 9.793 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.646 -5.471 10.501 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.127 -3.745 10.885 1.00 0.00 C ATOM 0 H THR 1 27 10.842 -4.939 7.380 1.00 0.00 H new ATOM 0 HA THR 1 27 12.059 -6.596 9.381 1.00 0.00 H new ATOM 0 HB THR 1 27 13.178 -3.981 9.018 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.335 -4.930 10.940 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.887 -3.083 11.300 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.320 -3.149 10.458 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.729 -4.381 11.676 1.00 0.00 H new ATOM 392 N PRO 1 28 10.118 -6.166 10.885 1.00 0.00 N ATOM 393 CA PRO 1 28 8.828 -6.141 11.552 1.00 0.00 C ATOM 394 C PRO 1 28 8.624 -4.824 12.303 1.00 0.00 C ATOM 395 O PRO 1 28 8.392 -4.822 13.511 1.00 0.00 O ATOM 396 CB PRO 1 28 8.836 -7.353 12.470 1.00 0.00 C ATOM 397 CG PRO 1 28 10.296 -7.744 12.630 1.00 0.00 C ATOM 398 CD PRO 1 28 11.094 -7.016 11.562 1.00 0.00 C ATOM 0 HA PRO 1 28 7.993 -6.192 10.854 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.387 -7.116 13.435 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.257 -8.171 12.042 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.656 -7.477 13.624 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.416 -8.822 12.527 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.897 -6.424 12.002 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.558 -7.717 10.868 1.00 0.00 H new ATOM 406 N LYS 1 29 8.718 -3.734 11.555 1.00 0.00 N ATOM 407 CA LYS 1 29 8.547 -2.412 12.134 1.00 0.00 C ATOM 408 C LYS 1 29 8.688 -1.356 11.036 1.00 0.00 C ATOM 409 O LYS 1 29 8.140 -0.260 11.150 1.00 0.00 O ATOM 410 CB LYS 1 29 9.511 -2.212 13.307 1.00 0.00 C ATOM 411 CG LYS 1 29 9.275 -0.861 13.986 1.00 0.00 C ATOM 412 CD LYS 1 29 9.285 -1.004 15.508 1.00 0.00 C ATOM 413 CE LYS 1 29 8.346 0.014 16.160 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.106 -0.648 16.625 1.00 0.00 N ATOM 0 H LYS 1 29 8.910 -3.739 10.553 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.546 -2.306 12.552 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.379 -3.015 14.032 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.540 -2.269 12.951 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.047 -0.156 13.678 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.319 -0.449 13.662 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.981 -2.014 15.784 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.298 -0.862 15.884 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.847 0.493 17.001 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.100 0.800 15.446 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.480 0.057 17.065 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 6.621 -1.085 15.815 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 7.345 -1.382 17.322 1.00 0.00 H new ATOM 428 N GLU 1 30 9.426 -1.723 9.998 1.00 0.00 N ATOM 429 CA GLU 1 30 9.645 -0.821 8.880 1.00 0.00 C ATOM 430 C GLU 1 30 8.679 -1.144 7.739 1.00 0.00 C ATOM 431 O GLU 1 30 8.064 -0.246 7.168 1.00 0.00 O ATOM 432 CB GLU 1 30 11.098 -0.882 8.404 1.00 0.00 C ATOM 433 CG GLU 1 30 11.892 0.325 8.907 1.00 0.00 C ATOM 434 CD GLU 1 30 12.768 -0.055 10.103 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.181 -0.454 11.132 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.004 0.063 9.960 1.00 0.00 O ATOM 0 H GLU 1 30 9.879 -2.632 9.908 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.450 0.197 9.216 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.563 -1.801 8.760 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.126 -0.912 7.315 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.517 0.714 8.103 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.206 1.123 9.193 1.00 0.00 H new ATOM 443 N CYS 1 31 8.577 -2.432 7.441 1.00 0.00 N ATOM 444 CA CYS 1 31 7.696 -2.885 6.378 1.00 0.00 C ATOM 445 C CYS 1 31 6.255 -2.558 6.775 1.00 0.00 C ATOM 446 O CYS 1 31 5.537 -1.895 6.027 1.00 0.00 O ATOM 447 CB CYS 1 31 7.883 -4.376 6.086 1.00 0.00 C ATOM 448 SG CYS 1 31 9.204 -4.762 4.881 1.00 0.00 S ATOM 0 H CYS 1 31 9.089 -3.175 7.917 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.943 -2.366 5.452 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.102 -4.890 7.022 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.942 -4.780 5.714 1.00 0.00 H new ATOM 453 N ASN 1 32 5.875 -3.037 7.950 1.00 0.00 N ATOM 454 CA ASN 1 32 4.533 -2.803 8.456 1.00 0.00 C ATOM 455 C ASN 1 32 4.335 -1.305 8.690 1.00 0.00 C ATOM 456 O ASN 1 32 3.236 -0.865 9.023 1.00 0.00 O ATOM 457 CB ASN 1 32 4.313 -3.524 9.786 1.00 0.00 C ATOM 458 CG ASN 1 32 3.540 -4.829 9.582 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.160 -5.709 8.802 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.452 -5.023 10.099 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.473 -3.587 8.567 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.824 -3.182 7.720 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.275 -3.736 10.252 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.764 -2.875 10.469 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.032 -4.304 10.688 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.963 -5.904 9.942 1.00 0.00 H new ATOM 467 N ASN 1 33 5.418 -0.561 8.508 1.00 0.00 N ATOM 468 CA ASN 1 33 5.376 0.878 8.696 1.00 0.00 C ATOM 469 C ASN 1 33 5.423 1.569 7.331 1.00 0.00 C ATOM 470 O ASN 1 33 4.920 2.680 7.177 1.00 0.00 O ATOM 471 CB ASN 1 33 6.577 1.362 9.512 1.00 0.00 C ATOM 472 CG ASN 1 33 6.654 2.890 9.522 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.733 3.580 9.924 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.801 3.377 9.058 1.00 0.00 N ATOM 0 H ASN 1 33 6.329 -0.929 8.233 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.456 1.121 9.228 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.500 0.992 10.534 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.495 0.951 9.093 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.950 4.385 9.023 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.532 2.742 8.737 1.00 0.00 H new ATOM 481 N ARG 1 34 6.031 0.880 6.376 1.00 0.00 N ATOM 482 CA ARG 1 34 6.149 1.413 5.030 1.00 0.00 C ATOM 483 C ARG 1 34 4.888 1.100 4.222 1.00 0.00 C ATOM 484 O ARG 1 34 4.511 1.861 3.333 1.00 0.00 O ATOM 485 CB ARG 1 34 7.366 0.826 4.311 1.00 0.00 C ATOM 486 CG ARG 1 34 7.012 -0.493 3.621 1.00 0.00 C ATOM 487 CD ARG 1 34 6.389 -0.243 2.246 1.00 0.00 C ATOM 488 NE ARG 1 34 7.315 -0.692 1.182 1.00 0.00 N ATOM 489 CZ ARG 1 34 6.998 -0.742 -0.119 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.775 -0.372 -0.524 1.00 0.00 N ATOM 491 NH2 ARG 1 34 7.901 -1.163 -1.013 1.00 0.00 N ATOM 0 H ARG 1 34 6.447 -0.042 6.508 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.274 2.493 5.110 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.736 1.538 3.574 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.171 0.661 5.027 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.909 -1.103 3.512 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.316 -1.057 4.242 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.442 -0.776 2.164 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 6.169 0.818 2.125 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.254 -0.982 1.456 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 5.087 -0.053 0.158 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.533 -0.410 -1.514 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.831 -1.446 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.659 -1.201 -2.003 1.00 0.00 H new ATOM 505 N GLY 1 35 4.270 -0.023 4.561 1.00 0.00 N ATOM 506 CA GLY 1 35 3.060 -0.446 3.878 1.00 0.00 C ATOM 507 C GLY 1 35 3.180 -1.892 3.393 1.00 0.00 C ATOM 508 O GLY 1 35 2.486 -2.298 2.463 1.00 0.00 O ATOM 0 H GLY 1 35 4.585 -0.652 5.300 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.207 -0.354 4.551 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.869 0.211 3.030 1.00 0.00 H new ATOM 512 N CYS 1 36 4.068 -2.628 4.044 1.00 0.00 N ATOM 513 CA CYS 1 36 4.290 -4.020 3.690 1.00 0.00 C ATOM 514 C CYS 1 36 3.978 -4.883 4.915 1.00 0.00 C ATOM 515 O CYS 1 36 3.659 -4.360 5.981 1.00 0.00 O ATOM 516 CB CYS 1 36 5.711 -4.253 3.174 1.00 0.00 C ATOM 517 SG CYS 1 36 6.177 -3.241 1.722 1.00 0.00 S ATOM 0 H CYS 1 36 4.643 -2.287 4.815 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.627 -4.300 2.871 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.414 -4.049 3.982 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.820 -5.306 2.915 1.00 0.00 H new ATOM 522 N CYS 1 37 4.081 -6.189 4.720 1.00 0.00 N ATOM 523 CA CYS 1 37 3.815 -7.129 5.795 1.00 0.00 C ATOM 524 C CYS 1 37 5.059 -7.998 5.993 1.00 0.00 C ATOM 525 O CYS 1 37 5.577 -8.575 5.039 1.00 0.00 O ATOM 526 CB CYS 1 37 2.569 -7.972 5.513 1.00 0.00 C ATOM 527 SG CYS 1 37 1.771 -8.682 7.000 1.00 0.00 S ATOM 0 H CYS 1 37 4.345 -6.619 3.833 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.604 -6.583 6.715 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.841 -7.355 4.987 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.842 -8.785 4.841 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.728 -9.372 6.645 1.00 0.00 H new ATOM 532 N PHE 1 38 5.503 -8.063 7.240 1.00 0.00 N ATOM 533 CA PHE 1 38 6.676 -8.852 7.576 1.00 0.00 C ATOM 534 C PHE 1 38 6.288 -10.288 7.933 1.00 0.00 C ATOM 535 O PHE 1 38 5.517 -10.513 8.864 1.00 0.00 O ATOM 536 CB PHE 1 38 7.324 -8.193 8.796 1.00 0.00 C ATOM 537 CG PHE 1 38 8.712 -8.739 9.134 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.792 -8.350 8.406 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.866 -9.615 10.164 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.081 -8.856 8.720 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.155 -10.121 10.478 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.235 -9.731 9.749 1.00 0.00 C ATOM 0 H PHE 1 38 5.072 -7.582 8.029 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.355 -8.889 6.724 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.400 -7.120 8.619 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.672 -8.328 9.659 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.670 -7.655 7.588 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.008 -9.925 10.742 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.939 -8.546 8.142 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.278 -10.816 11.296 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.215 -10.117 9.988 1.00 0.00 H new ATOM 552 N ASP 1 39 6.841 -11.223 7.173 1.00 0.00 N ATOM 553 CA ASP 1 39 6.562 -12.631 7.398 1.00 0.00 C ATOM 554 C ASP 1 39 7.334 -13.110 8.628 1.00 0.00 C ATOM 555 O ASP 1 39 6.824 -13.055 9.746 1.00 0.00 O ATOM 556 CB ASP 1 39 7.004 -13.477 6.202 1.00 0.00 C ATOM 557 CG ASP 1 39 7.164 -14.971 6.491 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.382 -15.474 7.327 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.065 -15.576 5.871 1.00 0.00 O ATOM 0 H ASP 1 39 7.480 -11.033 6.401 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.487 -12.743 7.542 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 6.276 -13.353 5.400 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.954 -13.090 5.833 1.00 0.00 H new ATOM 564 N SER 1 40 8.553 -13.568 8.381 1.00 0.00 N ATOM 565 CA SER 1 40 9.402 -14.055 9.454 1.00 0.00 C ATOM 566 C SER 1 40 9.167 -15.552 9.668 1.00 0.00 C ATOM 567 O SER 1 40 10.030 -16.250 10.198 1.00 0.00 O ATOM 568 CB SER 1 40 9.145 -13.288 10.752 1.00 0.00 C ATOM 569 OG SER 1 40 10.299 -13.245 11.585 1.00 0.00 O ATOM 0 H SER 1 40 8.973 -13.612 7.452 1.00 0.00 H new ATOM 0 HA SER 1 40 10.441 -13.893 9.168 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.831 -12.271 10.516 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.324 -13.758 11.294 1.00 0.00 H new ATOM 0 HG SER 1 40 10.094 -12.745 12.403 1.00 0.00 H new ATOM 575 N ARG 1 41 7.995 -16.001 9.243 1.00 0.00 N ATOM 576 CA ARG 1 41 7.636 -17.402 9.381 1.00 0.00 C ATOM 577 C ARG 1 41 8.453 -18.258 8.412 1.00 0.00 C ATOM 578 O ARG 1 41 8.974 -19.306 8.792 1.00 0.00 O ATOM 579 CB ARG 1 41 6.146 -17.618 9.109 1.00 0.00 C ATOM 580 CG ARG 1 41 5.303 -16.532 9.780 1.00 0.00 C ATOM 581 CD ARG 1 41 4.017 -17.120 10.365 1.00 0.00 C ATOM 582 NE ARG 1 41 4.246 -17.549 11.762 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.402 -18.323 12.459 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.267 -18.755 11.893 1.00 0.00 N ATOM 585 NH2 ARG 1 41 3.691 -18.663 13.723 1.00 0.00 N ATOM 0 H ARG 1 41 7.282 -15.419 8.803 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.854 -17.700 10.407 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.964 -17.612 8.034 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.844 -18.598 9.478 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.881 -16.054 10.571 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.056 -15.758 9.054 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.219 -16.378 10.330 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.689 -17.969 9.764 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.100 -17.236 12.224 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.045 -18.495 10.932 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.625 -19.344 12.423 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.554 -18.333 14.155 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.048 -19.252 14.252 1.00 0.00 H new ATOM 599 N ILE 1 42 8.542 -17.779 7.180 1.00 0.00 N ATOM 600 CA ILE 1 42 9.288 -18.488 6.154 1.00 0.00 C ATOM 601 C ILE 1 42 10.420 -17.594 5.645 1.00 0.00 C ATOM 602 O ILE 1 42 10.178 -16.629 4.922 1.00 0.00 O ATOM 603 CB ILE 1 42 8.347 -18.977 5.050 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.963 -19.300 5.613 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.954 -20.165 4.301 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.309 -20.447 4.837 1.00 0.00 C ATOM 0 H ILE 1 42 8.110 -16.909 6.869 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.750 -19.384 6.568 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.219 -18.171 4.327 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.049 -19.571 6.665 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.330 -18.414 5.562 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.266 -20.494 3.522 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.899 -19.865 3.848 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.130 -20.984 4.999 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.326 -20.657 5.258 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.203 -20.164 3.790 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.933 -21.338 4.910 1.00 0.00 H new ATOM 618 N PRO 1 43 11.666 -17.957 6.053 1.00 0.00 N ATOM 619 CA PRO 1 43 12.837 -17.199 5.647 1.00 0.00 C ATOM 620 C PRO 1 43 13.196 -17.485 4.187 1.00 0.00 C ATOM 621 O PRO 1 43 14.116 -16.879 3.640 1.00 0.00 O ATOM 622 CB PRO 1 43 13.931 -17.613 6.618 1.00 0.00 C ATOM 623 CG PRO 1 43 13.466 -18.922 7.235 1.00 0.00 C ATOM 624 CD PRO 1 43 11.991 -19.094 6.909 1.00 0.00 C ATOM 0 HA PRO 1 43 12.674 -16.122 5.686 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.883 -17.740 6.103 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.082 -16.852 7.384 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.044 -19.757 6.839 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.620 -18.911 8.314 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.806 -20.039 6.399 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.383 -19.095 7.814 1.00 0.00 H new ATOM 632 N GLY 1 44 12.449 -18.407 3.597 1.00 0.00 N ATOM 633 CA GLY 1 44 12.676 -18.779 2.212 1.00 0.00 C ATOM 634 C GLY 1 44 11.778 -17.972 1.272 1.00 0.00 C ATOM 635 O GLY 1 44 11.868 -18.107 0.052 1.00 0.00 O ATOM 0 H GLY 1 44 11.686 -18.907 4.054 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.722 -18.612 1.954 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.482 -19.844 2.081 1.00 0.00 H new ATOM 639 N VAL 1 45 10.930 -17.151 1.875 1.00 0.00 N ATOM 640 CA VAL 1 45 10.017 -16.322 1.108 1.00 0.00 C ATOM 641 C VAL 1 45 10.269 -14.850 1.440 1.00 0.00 C ATOM 642 O VAL 1 45 11.190 -14.528 2.188 1.00 0.00 O ATOM 643 CB VAL 1 45 8.573 -16.756 1.368 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.486 -18.267 1.592 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.976 -15.991 2.553 1.00 0.00 C ATOM 0 H VAL 1 45 10.857 -17.043 2.887 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.193 -16.448 0.040 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.986 -16.514 0.482 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.449 -18.549 1.775 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.853 -18.788 0.708 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.094 -18.543 2.454 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.949 -16.318 2.717 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.567 -16.188 3.448 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.987 -14.922 2.339 1.00 0.00 H new ATOM 655 N PRO 1 46 9.410 -13.973 0.854 1.00 0.00 N ATOM 656 CA PRO 1 46 9.531 -12.543 1.080 1.00 0.00 C ATOM 657 C PRO 1 46 9.021 -12.164 2.472 1.00 0.00 C ATOM 658 O PRO 1 46 7.869 -12.430 2.808 1.00 0.00 O ATOM 659 CB PRO 1 46 8.733 -11.899 -0.041 1.00 0.00 C ATOM 660 CG PRO 1 46 7.817 -12.986 -0.578 1.00 0.00 C ATOM 661 CD PRO 1 46 8.308 -14.319 -0.038 1.00 0.00 C ATOM 0 HA PRO 1 46 10.565 -12.200 1.062 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 8.157 -11.050 0.327 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.392 -11.522 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.788 -12.805 -0.269 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.826 -12.989 -1.668 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.517 -14.846 0.496 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.641 -14.974 -0.843 1.00 0.00 H new ATOM 669 N TRP 1 47 9.905 -11.548 3.243 1.00 0.00 N ATOM 670 CA TRP 1 47 9.560 -11.129 4.591 1.00 0.00 C ATOM 671 C TRP 1 47 9.096 -9.673 4.528 1.00 0.00 C ATOM 672 O TRP 1 47 9.241 -8.930 5.499 1.00 0.00 O ATOM 673 CB TRP 1 47 10.733 -11.343 5.550 1.00 0.00 C ATOM 674 CG TRP 1 47 11.813 -12.284 5.011 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.804 -13.624 4.989 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.069 -11.898 4.415 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.958 -14.128 4.424 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.751 -13.045 4.064 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.611 -10.623 4.179 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.012 -13.031 3.458 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.872 -10.626 3.573 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.573 -11.772 3.213 1.00 0.00 C ATOM 0 H TRP 1 47 10.860 -11.329 2.960 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.747 -11.737 4.988 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.186 -10.377 5.775 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.353 -11.743 6.490 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.996 -14.233 5.366 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.187 -15.114 4.295 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.095 -9.712 4.445 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.526 -13.943 3.193 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.334 -9.671 3.370 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.544 -11.691 2.747 1.00 0.00 H new ATOM 693 N CYS 1 48 8.548 -9.308 3.379 1.00 0.00 N ATOM 694 CA CYS 1 48 8.062 -7.954 3.177 1.00 0.00 C ATOM 695 C CYS 1 48 7.224 -7.929 1.898 1.00 0.00 C ATOM 696 O CYS 1 48 7.769 -7.937 0.795 1.00 0.00 O ATOM 697 CB CYS 1 48 9.210 -6.943 3.128 1.00 0.00 C ATOM 698 SG CYS 1 48 8.689 -5.188 3.157 1.00 0.00 S ATOM 0 H CYS 1 48 8.430 -9.927 2.577 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.440 -7.658 4.022 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.872 -7.125 3.975 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.793 -7.120 2.224 1.00 0.00 H new ATOM 703 N PHE 1 49 5.913 -7.898 2.088 1.00 0.00 N ATOM 704 CA PHE 1 49 4.995 -7.871 0.963 1.00 0.00 C ATOM 705 C PHE 1 49 3.819 -6.932 1.236 1.00 0.00 C ATOM 706 O PHE 1 49 3.821 -6.201 2.226 1.00 0.00 O ATOM 707 CB PHE 1 49 4.465 -9.295 0.785 1.00 0.00 C ATOM 708 CG PHE 1 49 4.457 -10.122 2.073 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.631 -10.463 2.668 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.277 -10.515 2.621 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.625 -11.230 3.863 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.270 -11.282 3.817 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.444 -11.623 4.413 1.00 0.00 C ATOM 0 H PHE 1 49 5.465 -7.891 3.004 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.510 -7.514 0.071 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.450 -9.247 0.390 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.073 -9.808 0.040 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.568 -10.150 2.232 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.345 -10.244 2.147 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.558 -11.501 4.335 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.332 -11.594 4.253 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.439 -12.205 5.322 1.00 0.00 H new ATOM 723 N LYS 1 50 2.844 -6.980 0.341 1.00 0.00 N ATOM 724 CA LYS 1 50 1.663 -6.143 0.473 1.00 0.00 C ATOM 725 C LYS 1 50 0.415 -7.027 0.495 1.00 0.00 C ATOM 726 O LYS 1 50 -0.367 -7.025 -0.454 1.00 0.00 O ATOM 727 CB LYS 1 50 1.641 -5.073 -0.619 1.00 0.00 C ATOM 728 CG LYS 1 50 1.803 -5.701 -2.005 1.00 0.00 C ATOM 729 CD LYS 1 50 3.078 -5.201 -2.687 1.00 0.00 C ATOM 730 CE LYS 1 50 3.149 -3.672 -2.667 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.216 -3.139 -4.046 1.00 0.00 N ATOM 0 H LYS 1 50 2.847 -7.586 -0.479 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.684 -5.600 1.418 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.702 -4.521 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.442 -4.355 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.836 -6.787 -1.915 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.937 -5.459 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.951 -5.616 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 3.107 -5.556 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.275 -3.268 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.024 -3.350 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.264 -2.101 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.063 -3.510 -4.521 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.368 -3.431 -4.573 1.00 0.00 H new ATOM 745 N PRO 1 51 0.263 -7.780 1.616 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.877 -8.668 1.773 1.00 0.00 C ATOM 747 C PRO 1 51 -2.148 -7.876 2.091 1.00 0.00 C ATOM 748 O PRO 1 51 -2.775 -7.316 1.194 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.480 -9.625 2.884 1.00 0.00 C ATOM 750 CG PRO 1 51 0.668 -8.956 3.622 1.00 0.00 C ATOM 751 CD PRO 1 51 1.170 -7.808 2.760 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.114 -9.215 0.860 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.318 -9.813 3.555 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.174 -10.589 2.478 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.335 -8.588 4.592 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.469 -9.671 3.810 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.149 -6.865 3.305 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.201 -7.971 2.445 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.488 -7.856 3.372 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.672 -7.144 3.819 1.00 0.00 C ATOM 761 C LEU 1 52 -3.280 -5.726 4.241 1.00 0.00 C ATOM 762 O LEU 1 52 -3.861 -5.168 5.171 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.392 -7.934 4.914 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.885 -7.717 6.341 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.012 -7.239 7.258 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.205 -8.978 6.878 1.00 0.00 C ATOM 0 H LEU 1 52 -1.964 -8.321 4.113 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.389 -7.048 3.004 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.451 -7.677 4.883 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.314 -8.996 4.679 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.133 -6.929 6.320 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.624 -7.093 8.266 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.411 -6.297 6.883 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.805 -7.986 7.280 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.854 -8.797 7.894 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.918 -9.802 6.882 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.358 -9.234 6.241 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.298 -5.184 3.537 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.821 -3.842 3.827 1.00 0.00 C ATOM 780 C GLN 1 53 -2.988 -2.853 3.831 1.00 0.00 C ATOM 781 O GLN 1 53 -2.896 -1.782 4.427 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.744 -3.415 2.827 1.00 0.00 C ATOM 783 CG GLN 1 53 0.474 -4.339 2.904 1.00 0.00 C ATOM 784 CD GLN 1 53 1.025 -4.401 4.331 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.789 -3.556 4.766 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.597 -5.448 5.030 1.00 0.00 N ATOM 0 H GLN 1 53 -1.819 -5.650 2.766 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.369 -3.845 4.819 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.154 -3.431 1.817 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.440 -2.388 3.031 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.197 -5.340 2.573 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.249 -3.982 2.226 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.043 -6.118 4.604 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.909 -5.581 5.992 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.059 -3.248 3.158 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.242 -2.410 3.076 1.00 0.00 C ATOM 797 C GLU 1 54 -5.512 -1.739 4.425 1.00 0.00 C ATOM 798 O GLU 1 54 -6.096 -0.659 4.479 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.456 -3.219 2.615 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.223 -3.789 3.810 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.320 -2.826 4.268 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.372 -2.801 3.593 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.083 -2.135 5.283 1.00 0.00 O ATOM 0 H GLU 1 54 -4.132 -4.138 2.665 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.061 -1.632 2.334 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.117 -2.585 2.024 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.130 -4.032 1.966 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.666 -4.747 3.539 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.533 -3.978 4.633 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.073 -2.409 5.481 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.259 -1.891 6.826 1.00 0.00 C ATOM 812 C ALA 1 55 -5.030 -0.378 6.822 1.00 0.00 C ATOM 813 O ALA 1 55 -5.970 0.397 6.994 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.320 -2.620 7.789 1.00 0.00 C ATOM 0 H ALA 1 55 -4.589 -3.306 5.432 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.279 -2.069 7.168 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.460 -2.231 8.798 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.543 -3.687 7.777 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.287 -2.462 7.479 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.775 -0.002 6.622 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.411 1.404 6.593 1.00 0.00 C ATOM 822 C GLU 1 56 -2.700 1.741 5.280 1.00 0.00 C ATOM 823 O GLU 1 56 -1.920 2.690 5.217 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.541 1.770 7.796 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.216 2.840 8.656 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.187 3.599 9.496 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.414 2.916 10.201 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.196 4.847 9.413 1.00 0.00 O ATOM 0 H GLU 1 56 -2.998 -0.647 6.479 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.324 1.997 6.653 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.353 0.880 8.397 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.572 2.133 7.452 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.755 3.539 8.016 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.952 2.374 9.311 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.996 0.944 4.263 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.395 1.146 2.955 1.00 0.00 C ATOM 837 C CYS 1 57 -3.429 1.821 2.051 1.00 0.00 C ATOM 838 O CYS 1 57 -3.299 3.001 1.727 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.884 -0.167 2.358 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.572 0.022 1.099 1.00 0.00 S ATOM 0 H CYS 1 57 -3.644 0.158 4.318 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.520 1.790 3.049 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.506 -0.794 3.165 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.724 -0.697 1.910 1.00 0.00 H new ATOM 845 N THR 1 58 -4.431 1.043 1.669 1.00 0.00 N ATOM 846 CA THR 1 58 -5.486 1.551 0.809 1.00 0.00 C ATOM 847 C THR 1 58 -6.188 2.739 1.469 1.00 0.00 C ATOM 848 O THR 1 58 -6.545 3.705 0.796 1.00 0.00 O ATOM 849 CB THR 1 58 -6.430 0.391 0.485 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.238 0.887 -0.579 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.427 0.115 1.612 1.00 0.00 C ATOM 0 H THR 1 58 -4.535 0.065 1.939 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.082 1.933 -0.128 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.846 -0.508 0.289 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.180 0.869 -0.310 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.073 -0.717 1.331 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.885 -0.138 2.523 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.035 1.003 1.786 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.363 2.628 2.777 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.016 3.682 3.535 1.00 0.00 C ATOM 861 C PHE 1 59 -6.672 5.060 2.968 1.00 0.00 C ATOM 862 O PHE 1 59 -6.627 6.045 3.704 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.493 3.590 4.971 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.382 4.286 6.004 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.594 3.757 6.324 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.961 5.432 6.601 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.419 4.402 7.282 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.787 6.078 7.560 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.999 5.549 7.879 1.00 0.00 C ATOM 0 H PHE 1 59 -6.064 1.825 3.331 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.098 3.559 3.486 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.392 2.539 5.243 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.495 4.027 5.012 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.928 2.846 5.849 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.999 5.852 6.347 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.381 3.982 7.537 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.453 6.988 8.035 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.628 6.040 8.607 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.344 15.576 0.397 1.00 0.00 N ATOM 1108 CA ASP 2 17 -8.975 14.510 1.156 1.00 0.00 C ATOM 1109 C ASP 2 17 -7.940 13.424 1.458 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.025 12.749 2.483 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.115 13.869 0.360 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.049 12.974 1.178 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.631 13.500 2.151 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.161 11.784 0.810 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.373 14.939 2.075 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.706 14.660 -0.102 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.686 13.278 -0.449 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.987 13.290 0.547 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.938 12.297 0.704 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.393 12.322 2.133 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.738 13.204 2.917 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.791 12.550 -0.277 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.297 12.568 -1.721 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.601 13.662 -2.533 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.153 13.703 -3.905 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.479 14.152 -4.972 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.225 14.603 -4.832 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -5.060 14.151 -6.180 1.00 0.00 N ATOM 0 H ARG 2 18 -6.919 13.852 -0.302 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.372 11.319 0.495 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.312 13.501 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.033 11.775 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.119 11.598 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.374 12.733 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.738 14.629 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.528 13.472 -2.569 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.106 13.369 -4.047 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.783 14.604 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.712 14.945 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -6.015 13.808 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.547 14.493 -6.993 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.550 11.343 2.428 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.954 11.243 3.749 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.491 11.687 3.680 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.693 11.344 4.549 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.120 9.821 4.291 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.751 9.753 5.774 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.542 9.308 4.056 1.00 0.00 C ATOM 0 H VAL 2 19 -4.266 10.613 1.775 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.463 11.907 4.448 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.435 9.172 3.745 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.878 8.732 6.134 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.713 10.058 5.905 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.399 10.421 6.341 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.633 8.296 4.450 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.253 9.961 4.563 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.754 9.302 2.987 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.186 12.446 2.637 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.834 12.941 2.443 1.00 0.00 C ATOM 1161 C ASP 2 20 0.162 11.938 3.029 1.00 0.00 C ATOM 1162 O ASP 2 20 0.563 12.061 4.186 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.631 14.280 3.154 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.802 14.558 3.613 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.722 14.207 2.844 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.945 15.116 4.723 1.00 0.00 O ATOM 0 H ASP 2 20 -2.852 12.730 1.918 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.674 13.073 1.373 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.944 15.081 2.484 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.288 14.316 4.023 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.532 10.969 2.204 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.473 9.947 2.627 1.00 0.00 C ATOM 1173 C CYS 2 21 2.682 10.638 3.263 1.00 0.00 C ATOM 1174 O CYS 2 21 3.257 10.130 4.224 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.880 9.039 1.466 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.182 7.293 1.925 1.00 0.00 S ATOM 0 H CYS 2 21 0.197 10.871 1.246 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.000 9.297 3.363 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.098 9.070 0.707 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.784 9.441 1.009 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.030 11.785 2.699 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.159 12.551 3.198 1.00 0.00 C ATOM 1183 C GLY 2 22 5.424 11.692 3.250 1.00 0.00 C ATOM 1184 O GLY 2 22 6.005 11.500 4.318 1.00 0.00 O ATOM 0 H GLY 2 22 2.550 12.202 1.902 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.328 13.416 2.556 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.933 12.932 4.194 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.813 11.198 2.084 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.999 10.363 1.984 1.00 0.00 C ATOM 1190 C TYR 2 23 8.238 11.206 1.678 1.00 0.00 C ATOM 1191 O TYR 2 23 8.180 12.131 0.869 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.745 9.408 0.816 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.580 7.945 1.233 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.692 7.179 1.515 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.320 7.392 1.326 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.538 5.802 1.907 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.164 6.015 1.718 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.281 5.287 1.989 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.134 3.987 2.360 1.00 0.00 O ATOM 0 H TYR 2 23 5.329 11.359 1.201 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.179 9.838 2.922 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.847 9.728 0.287 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.574 9.483 0.112 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.679 7.612 1.442 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.450 7.992 1.105 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.401 5.192 2.131 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.183 5.570 1.795 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.216 3.837 2.669 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.360 10.847 2.358 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.612 11.560 2.166 1.00 0.00 C ATOM 1211 C PRO 2 24 11.258 11.184 0.831 1.00 0.00 C ATOM 1212 O PRO 2 24 12.309 11.716 0.475 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.466 11.185 3.366 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.845 9.921 3.940 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.466 9.757 3.322 1.00 0.00 C ATOM 0 HA PRO 2 24 10.477 12.640 2.112 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.501 11.012 3.070 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.475 11.986 4.105 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.468 9.055 3.718 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.771 9.991 5.025 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.363 8.787 2.836 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.683 9.819 4.078 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.604 10.270 0.130 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.102 9.816 -1.157 1.00 0.00 C ATOM 1225 C HIS 2 25 10.004 9.962 -2.213 1.00 0.00 C ATOM 1226 O HIS 2 25 10.110 9.408 -3.306 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.643 8.389 -1.059 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.869 8.137 -1.905 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.063 6.963 -2.612 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.958 8.919 -2.151 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.220 7.046 -3.250 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.774 8.258 -2.962 1.00 0.00 N ATOM 0 H HIS 2 25 9.733 9.831 0.429 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.941 10.440 -1.466 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.882 8.173 -0.018 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.859 7.693 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.128 9.909 -1.753 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 14.650 6.287 -3.887 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.669 8.600 -3.312 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.974 10.711 -1.849 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.856 10.937 -2.750 1.00 0.00 C ATOM 1243 C VAL 2 26 8.384 11.108 -4.176 1.00 0.00 C ATOM 1244 O VAL 2 26 9.271 11.925 -4.419 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.030 12.132 -2.271 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.936 13.289 -1.844 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.039 12.580 -3.347 1.00 0.00 C ATOM 0 H VAL 2 26 8.890 11.170 -0.942 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.186 10.077 -2.751 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.457 11.816 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.324 14.126 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.583 12.963 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.547 13.604 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.464 13.431 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.584 12.870 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.362 11.759 -3.582 1.00 0.00 H new ATOM 1257 N THR 2 27 7.816 10.326 -5.082 1.00 0.00 N ATOM 1258 CA THR 2 27 8.218 10.380 -6.476 1.00 0.00 C ATOM 1259 C THR 2 27 7.212 9.631 -7.352 1.00 0.00 C ATOM 1260 O THR 2 27 6.531 8.720 -6.881 1.00 0.00 O ATOM 1261 CB THR 2 27 9.642 9.829 -6.580 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.418 10.949 -6.995 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.799 8.823 -7.722 1.00 0.00 C ATOM 0 H THR 2 27 7.080 9.651 -4.877 1.00 0.00 H new ATOM 0 HA THR 2 27 8.223 11.405 -6.846 1.00 0.00 H new ATOM 0 HB THR 2 27 9.917 9.354 -5.638 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.337 11.667 -6.333 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.828 8.463 -7.751 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.125 7.982 -7.561 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.557 9.306 -8.668 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.146 10.053 -8.642 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.234 9.433 -9.588 1.00 0.00 C ATOM 1273 C PRO 2 28 6.748 8.061 -10.027 1.00 0.00 C ATOM 1274 O PRO 2 28 6.763 7.750 -11.217 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.125 10.422 -10.737 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.330 11.339 -10.613 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.936 11.129 -9.234 1.00 0.00 C ATOM 0 HA PRO 2 28 5.253 9.235 -9.157 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.124 9.906 -11.697 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.196 10.988 -10.678 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.061 11.115 -11.389 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.033 12.379 -10.745 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.989 10.856 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.880 12.037 -8.634 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.159 7.275 -9.041 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.674 5.943 -9.311 1.00 0.00 C ATOM 1287 C LYS 2 29 8.043 5.267 -7.990 1.00 0.00 C ATOM 1288 O LYS 2 29 8.224 4.052 -7.939 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.829 6.008 -10.313 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.910 4.722 -11.138 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.289 5.025 -12.589 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.085 4.854 -13.518 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.219 3.617 -14.318 1.00 0.00 N ATOM 0 H LYS 2 29 7.146 7.535 -8.055 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.909 5.326 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.693 6.862 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.768 6.164 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.647 4.050 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.950 4.206 -11.109 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.669 6.044 -12.664 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.094 4.361 -12.905 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 7.168 4.817 -12.931 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.004 5.716 -14.181 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.394 3.517 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 9.084 3.667 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.273 2.796 -13.682 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.144 6.084 -6.951 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.488 5.580 -5.633 1.00 0.00 C ATOM 1309 C GLU 2 30 7.231 5.438 -4.773 1.00 0.00 C ATOM 1310 O GLU 2 30 7.044 4.424 -4.103 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.519 6.484 -4.952 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.923 5.882 -5.046 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.338 5.685 -6.505 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 10.975 4.627 -7.061 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.011 6.598 -7.031 1.00 0.00 O ATOM 0 H GLU 2 30 7.993 7.092 -6.996 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.938 4.594 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.510 7.469 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.249 6.625 -3.905 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.637 6.536 -4.546 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.948 4.925 -4.525 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.401 6.469 -4.822 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.166 6.472 -4.056 1.00 0.00 C ATOM 1324 C CYS 2 31 4.366 5.222 -4.429 1.00 0.00 C ATOM 1325 O CYS 2 31 4.000 4.432 -3.560 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.362 7.753 -4.284 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.045 9.244 -3.472 1.00 0.00 S ATOM 0 H CYS 2 31 6.559 7.308 -5.380 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.396 6.450 -2.991 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.297 7.938 -5.356 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.345 7.595 -3.926 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.118 5.081 -5.723 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.369 3.941 -6.222 1.00 0.00 C ATOM 1334 C ASN 2 32 4.134 2.655 -5.905 1.00 0.00 C ATOM 1335 O ASN 2 32 3.590 1.559 -6.026 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.187 4.023 -7.739 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.871 4.715 -8.097 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.676 5.868 -7.463 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.084 4.235 -8.896 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.423 5.738 -6.441 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.391 3.944 -5.741 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.021 4.569 -8.180 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.202 3.020 -8.165 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.295 3.345 -9.348 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.215 4.723 -9.112 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.385 2.832 -5.506 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.231 1.699 -5.172 1.00 0.00 C ATOM 1348 C ASN 2 33 6.180 1.458 -3.662 1.00 0.00 C ATOM 1349 O ASN 2 33 6.379 0.334 -3.202 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.688 1.966 -5.558 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.476 0.659 -5.661 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.936 -0.431 -5.567 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.780 0.828 -5.859 1.00 0.00 N ATOM 0 H ASN 2 33 5.833 3.743 -5.407 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.865 0.832 -5.722 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.725 2.493 -6.511 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.151 2.617 -4.816 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.393 0.017 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.168 1.769 -5.928 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.911 2.531 -2.932 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.832 2.451 -1.484 1.00 0.00 C ATOM 1362 C ARG 2 34 4.415 2.069 -1.051 1.00 0.00 C ATOM 1363 O ARG 2 34 4.222 1.493 0.019 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.214 3.782 -0.835 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.438 4.394 -1.522 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.521 4.746 -0.499 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.859 4.442 -1.053 1.00 0.00 N ATOM 1368 CZ ARG 2 34 11.011 4.828 -0.488 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.996 5.534 0.650 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.179 4.506 -1.062 1.00 0.00 N ATOM 0 H ARG 2 34 5.745 3.461 -3.317 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.536 1.686 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.374 4.474 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.425 3.628 0.223 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.838 3.692 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.143 5.290 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.458 5.803 -0.239 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.362 4.182 0.420 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.907 3.905 -1.919 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.107 5.778 1.087 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.873 5.828 1.080 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.190 3.968 -1.928 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 13.056 4.800 -0.632 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.459 2.407 -1.904 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.065 2.107 -1.624 1.00 0.00 C ATOM 1386 C GLY 2 35 1.230 3.388 -1.566 1.00 0.00 C ATOM 1387 O GLY 2 35 0.166 3.413 -0.947 1.00 0.00 O ATOM 0 H GLY 2 35 3.622 2.886 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.670 1.445 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.987 1.574 -0.676 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.743 4.421 -2.218 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.057 5.702 -2.249 1.00 0.00 C ATOM 1393 C CYS 2 36 0.758 6.052 -3.708 1.00 0.00 C ATOM 1394 O CYS 2 36 1.196 5.352 -4.621 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.872 6.796 -1.556 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.381 6.405 0.157 1.00 0.00 S ATOM 0 H CYS 2 36 2.625 4.397 -2.729 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.121 5.630 -1.695 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.765 6.995 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.285 7.715 -1.545 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.012 7.132 -3.883 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.352 7.582 -5.216 1.00 0.00 C ATOM 1403 C CYS 2 37 0.311 8.940 -5.462 1.00 0.00 C ATOM 1404 O CYS 2 37 0.262 9.823 -4.607 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.870 7.649 -5.396 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.441 7.570 -7.133 1.00 0.00 S ATOM 0 H CYS 2 37 -0.351 7.709 -3.124 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.005 6.864 -5.955 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.324 6.828 -4.841 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.234 8.575 -4.950 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.739 7.632 -7.166 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.916 9.062 -6.634 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.588 10.296 -7.004 1.00 0.00 C ATOM 1413 C PHE 2 38 0.623 11.259 -7.700 1.00 0.00 C ATOM 1414 O PHE 2 38 0.006 10.907 -8.704 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.708 9.922 -7.977 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.692 11.058 -8.261 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.761 11.253 -7.441 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.498 11.874 -9.331 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.673 12.308 -7.705 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.412 12.929 -9.595 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.480 13.124 -8.776 1.00 0.00 C ATOM 0 H PHE 2 38 0.955 8.327 -7.340 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.973 10.791 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.258 9.072 -7.573 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.264 9.596 -8.918 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.915 10.606 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.649 11.720 -9.980 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.521 12.463 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.259 13.576 -10.446 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.175 13.926 -8.976 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.525 12.455 -7.139 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.354 13.471 -7.693 1.00 0.00 C ATOM 1433 C ASP 2 39 0.205 13.945 -9.036 1.00 0.00 C ATOM 1434 O ASP 2 39 -0.004 13.301 -10.063 1.00 0.00 O ATOM 1435 CB ASP 2 39 -0.448 14.683 -6.766 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.110 15.919 -7.381 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.234 15.760 -7.903 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.476 16.994 -7.315 1.00 0.00 O ATOM 0 H ASP 2 39 1.039 12.743 -6.307 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.344 13.031 -7.813 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.005 14.397 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 0.557 14.952 -6.441 1.00 0.00 H new ATOM 1443 N SER 2 40 0.907 15.069 -8.985 1.00 0.00 N ATOM 1444 CA SER 2 40 1.498 15.636 -10.185 1.00 0.00 C ATOM 1445 C SER 2 40 0.555 16.678 -10.790 1.00 0.00 C ATOM 1446 O SER 2 40 0.948 17.437 -11.675 1.00 0.00 O ATOM 1447 CB SER 2 40 1.815 14.548 -11.212 1.00 0.00 C ATOM 1448 OG SER 2 40 2.872 14.931 -12.087 1.00 0.00 O ATOM 0 H SER 2 40 1.079 15.601 -8.132 1.00 0.00 H new ATOM 0 HA SER 2 40 2.435 16.119 -9.908 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.089 13.629 -10.694 1.00 0.00 H new ATOM 0 HB3 SER 2 40 0.921 14.330 -11.797 1.00 0.00 H new ATOM 0 HG SER 2 40 3.045 14.209 -12.727 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.671 16.681 -10.289 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.674 17.618 -10.769 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.632 18.908 -9.947 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.445 19.992 -10.496 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.077 17.014 -10.686 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.088 15.579 -11.221 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.369 15.299 -12.010 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.192 15.703 -13.422 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -5.203 16.002 -14.250 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.468 15.944 -13.812 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.948 16.359 -15.516 1.00 0.00 N ATOM 0 H ARG 2 41 -0.993 16.050 -9.555 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.448 17.840 -11.812 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.420 17.023 -9.652 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.775 17.625 -11.259 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.220 15.419 -11.861 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.007 14.877 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.616 14.239 -11.955 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.204 15.844 -11.569 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.242 15.757 -13.788 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.662 15.672 -12.848 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -7.237 16.172 -14.442 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.985 16.403 -15.849 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.717 16.587 -16.146 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.811 18.747 -8.644 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.797 19.886 -7.741 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.499 19.871 -6.930 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.258 18.948 -6.154 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.060 19.902 -6.879 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.278 19.443 -7.682 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.275 21.278 -6.246 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.577 19.906 -7.021 1.00 0.00 C ATOM 0 H ILE 2 42 -1.966 17.846 -8.192 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.812 20.819 -8.304 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.926 19.191 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.220 19.840 -8.696 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.275 18.356 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.180 21.262 -5.638 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.420 21.527 -5.617 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.379 22.027 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.427 19.566 -7.612 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.643 19.488 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.588 20.994 -6.962 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.324 20.933 -7.145 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.591 21.051 -6.443 1.00 0.00 C ATOM 1499 C PRO 2 43 1.375 21.469 -4.987 1.00 0.00 C ATOM 1500 O PRO 2 43 2.284 21.361 -4.166 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.389 22.069 -7.241 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.375 22.825 -8.084 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.071 22.044 -8.057 1.00 0.00 C ATOM 0 HA PRO 2 43 2.127 20.104 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.930 22.746 -6.580 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.131 21.577 -7.870 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.226 23.831 -7.691 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.734 22.933 -9.107 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.755 22.664 -7.707 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.198 21.687 -9.051 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.165 21.935 -4.712 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.182 22.369 -3.370 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.771 21.215 -2.556 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.022 21.359 -1.360 1.00 0.00 O ATOM 0 H GLY 2 44 -0.587 22.021 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.705 22.757 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.902 23.186 -3.423 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.977 20.097 -3.237 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.532 18.919 -2.592 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.437 17.864 -2.436 1.00 0.00 C ATOM 1521 O VAL 2 45 0.660 18.017 -2.974 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.742 18.413 -3.379 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.409 17.120 -4.125 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.952 18.222 -2.463 1.00 0.00 C ATOM 0 H VAL 2 45 -0.769 19.982 -4.229 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.891 19.165 -1.592 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.000 19.170 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.286 16.782 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.591 17.302 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.112 16.353 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.798 17.862 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -3.711 17.494 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -4.211 19.174 -1.999 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.778 16.788 -1.677 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.165 15.707 -1.444 1.00 0.00 C ATOM 1536 C PRO 2 46 0.310 14.828 -2.687 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.655 14.203 -3.125 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.390 14.954 -0.246 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.852 15.354 -0.141 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.067 16.573 -1.025 1.00 0.00 C ATOM 0 HA PRO 2 46 1.174 16.065 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.289 13.877 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.152 15.214 0.663 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.496 14.534 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.112 15.582 0.893 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.857 16.398 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.364 17.442 -0.437 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.522 14.808 -3.221 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.806 14.016 -4.406 1.00 0.00 C ATOM 1550 C TRP 2 47 2.231 12.619 -3.949 1.00 0.00 C ATOM 1551 O TRP 2 47 3.027 11.960 -4.618 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.851 14.703 -5.286 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.121 16.161 -4.911 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.381 17.239 -5.204 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.246 16.660 -4.157 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.943 18.391 -4.695 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.113 18.028 -4.039 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.338 15.979 -3.593 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.038 18.833 -3.360 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.253 16.796 -2.919 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.135 18.176 -2.790 1.00 0.00 C ATOM 0 H TRP 2 47 2.319 15.328 -2.855 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.918 13.922 -5.031 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.785 14.144 -5.226 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.521 14.661 -6.324 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.460 17.209 -5.768 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.569 19.336 -4.784 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.462 14.909 -3.673 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.911 19.903 -3.281 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.111 16.321 -2.467 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.885 18.737 -2.253 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.684 12.209 -2.815 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.998 10.903 -2.261 1.00 0.00 C ATOM 1574 C CYS 2 48 0.970 10.583 -1.174 1.00 0.00 C ATOM 1575 O CYS 2 48 1.115 11.016 -0.031 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.431 10.844 -1.728 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.140 9.160 -1.619 1.00 0.00 S ATOM 0 H CYS 2 48 1.025 12.758 -2.264 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.942 10.149 -3.046 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.068 11.451 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.454 11.298 -0.737 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.044 9.827 -1.568 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.095 9.444 -0.640 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.510 7.987 -0.853 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.883 7.266 -1.629 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.295 10.349 -0.926 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.392 10.816 -2.379 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.424 11.615 -2.902 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.444 10.431 -3.149 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.512 12.048 -4.252 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.534 10.864 -4.499 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.566 11.663 -5.022 1.00 0.00 C ATOM 0 H PHE 2 49 -0.160 9.470 -2.516 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.741 9.548 0.386 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.209 9.816 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.240 11.223 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.588 11.921 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.212 9.795 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.743 12.682 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.371 10.559 -5.110 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.634 11.992 -6.048 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.563 7.595 -0.151 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.067 6.237 -0.253 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.532 6.273 -0.690 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.427 5.948 0.089 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.836 5.479 1.056 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.213 6.391 2.115 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.696 6.480 1.938 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.086 5.093 1.728 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.677 4.119 2.673 1.00 0.00 N ATOM 0 H LYS 2 50 -3.081 8.195 0.491 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.519 5.685 -1.016 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.783 5.083 1.423 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.182 4.626 0.876 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.650 7.387 2.045 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.445 6.011 3.110 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.463 7.117 1.085 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.251 6.948 2.816 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.258 4.765 0.703 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.994 5.138 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.011 3.364 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.922 4.602 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.535 3.706 2.255 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.739 6.683 -1.971 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.081 6.767 -2.522 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.630 5.376 -2.842 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.169 4.701 -1.968 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.947 7.651 -3.752 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.469 7.648 -4.108 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.706 7.077 -2.924 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.798 7.191 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.548 7.267 -4.576 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.297 8.662 -3.546 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.293 7.048 -5.001 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.128 8.659 -4.330 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.095 6.224 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.032 7.817 -2.493 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.474 4.988 -4.100 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.947 3.689 -4.547 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.766 2.719 -4.622 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.676 1.916 -5.550 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.717 3.823 -5.862 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.885 3.717 -7.141 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.203 2.426 -7.898 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.068 4.956 -8.019 1.00 0.00 C ATOM 0 H LEU 2 52 -6.027 5.551 -4.823 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.656 3.274 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.488 3.052 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.229 4.786 -5.864 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.833 3.674 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.598 2.376 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.979 1.568 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.259 2.413 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.465 4.855 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.118 5.056 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.751 5.842 -7.469 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.891 2.825 -3.633 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.720 1.967 -3.575 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.124 0.503 -3.760 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.289 -0.340 -4.082 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.961 2.164 -2.262 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.461 3.604 -2.127 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.524 3.970 -3.280 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.556 5.064 -3.818 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.689 2.994 -3.628 1.00 0.00 N ATOM 0 H GLN 2 53 -4.970 3.492 -2.865 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.050 2.244 -4.389 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.612 1.921 -1.422 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.116 1.477 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.310 4.288 -2.113 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.939 3.724 -1.178 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.715 2.101 -3.136 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.023 3.139 -4.387 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.407 0.245 -3.548 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.933 -1.101 -3.688 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.336 -1.779 -4.924 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.253 -3.004 -4.984 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.461 -1.090 -3.753 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.070 -1.141 -2.350 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.100 -0.026 -2.159 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.479 0.578 -3.186 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.486 0.195 -0.991 1.00 0.00 O ATOM 0 H GLU 2 54 -6.097 0.947 -3.280 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.645 -1.675 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.800 -0.191 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.810 -1.942 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.543 -2.110 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.282 -1.044 -1.604 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.936 -0.951 -5.877 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.350 -1.455 -7.108 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.547 -2.722 -6.804 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.929 -3.816 -7.214 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.494 -0.362 -7.750 1.00 0.00 C ATOM 0 H ALA 2 55 -5.006 0.065 -5.822 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.128 -1.722 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.054 -0.739 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.117 0.504 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.700 -0.071 -7.062 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.449 -2.530 -6.087 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.589 -3.644 -5.723 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.129 -3.508 -4.270 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.115 -4.084 -3.880 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.392 -3.744 -6.670 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.525 -4.954 -7.597 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.008 -4.629 -9.001 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.021 -3.926 -9.077 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.655 -5.093 -9.965 1.00 0.00 O ATOM 0 H GLU 2 56 -2.135 -1.620 -5.749 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.163 -4.566 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.317 -2.833 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.528 -3.824 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.033 -5.795 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.569 -5.261 -7.652 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.898 -2.742 -3.509 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.582 -2.521 -2.108 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.465 -3.445 -1.267 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.965 -4.191 -0.427 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.752 -1.053 -1.714 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.506 -0.428 -0.528 1.00 0.00 S ATOM 0 H CYS 2 57 -2.739 -2.267 -3.837 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.533 -2.757 -1.926 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.713 -0.442 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.744 -0.920 -1.282 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.763 -3.364 -1.521 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.720 -4.182 -0.798 1.00 0.00 C ATOM 1726 C THR 2 58 -4.596 -5.648 -1.221 1.00 0.00 C ATOM 1727 O THR 2 58 -4.843 -6.551 -0.423 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.114 -3.598 -1.031 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.923 -4.217 -0.033 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.731 -4.065 -2.352 1.00 0.00 C ATOM 0 H THR 2 58 -4.174 -2.743 -2.218 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.522 -4.168 0.274 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.057 -2.510 -1.021 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.844 -3.893 -0.111 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.720 -3.622 -2.468 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.094 -3.755 -3.181 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.819 -5.151 -2.349 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.215 -5.838 -2.475 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.055 -7.177 -3.014 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.571 -8.148 -1.935 1.00 0.00 C ATOM 1741 O PHE 2 59 -3.380 -9.334 -2.201 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.000 -7.093 -4.118 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.344 -7.900 -5.372 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.618 -7.909 -5.845 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.376 -8.609 -6.012 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -4.939 -8.658 -7.008 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -2.696 -9.358 -7.175 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -3.970 -9.367 -7.648 1.00 0.00 C ATOM 0 H PHE 2 59 -4.012 -5.086 -3.134 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.010 -7.542 -3.392 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.864 -6.048 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.047 -7.444 -3.723 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.387 -7.346 -5.336 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -1.364 -8.602 -5.636 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.951 -8.665 -7.384 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -1.927 -9.920 -7.684 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.213 -9.937 -8.532 1.00 0.00 H new