USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 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 -33:sc= -1.45! USER MOD Single : 1 25 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.16) USER MOD Single : 1 27 THR OG1 : rot 58:sc= 0.218 USER MOD Single : 1 29 LYS NZ :NH3+ 168:sc= 0.0751 (180deg=0.0468) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.171 F(o=-2.2,f=-0.17) USER MOD Single : 1 33 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.9!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.166 USER MOD Single : 1 40 SER OG : rot 92:sc= 0.382 USER MOD Single : 1 50 LYS NZ :NH3+ -152:sc= -0.844 (180deg=-1.63) USER MOD Single : 1 53 GLN : amide:sc= -12.6! C(o=-13!,f=-19!) USER MOD Single : 1 58 THR OG1 : rot -160:sc= -0.0529 USER MOD Single : 2 23 TYR OH : rot 180:sc= -0.691 USER MOD Single : 2 25 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.12) USER MOD Single : 2 27 THR OG1 : rot 63:sc= 0.0239 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.259 F(o=-1.4,f=-0.26) USER MOD Single : 2 33 ASN : amide:sc= -0.0053 K(o=-0.0053,f=-1.5) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.103 USER MOD Single : 2 40 SER OG : rot 180:sc= -0.183 USER MOD Single : 2 50 LYS NZ :NH3+ -149:sc= -2.06! (180deg=-3.16!) USER MOD Single : 2 53 GLN : amide:sc= -13! C(o=-13!,f=-21!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -0.873 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.218 -16.284 -2.474 1.00 0.00 N ATOM 229 CA ASP 1 17 1.198 -15.557 -3.211 1.00 0.00 C ATOM 230 C ASP 1 17 1.318 -14.063 -2.901 1.00 0.00 C ATOM 231 O ASP 1 17 0.400 -13.293 -3.176 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.205 -16.013 -2.807 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.303 -15.709 -3.827 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.132 -16.135 -4.990 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.289 -15.056 -3.424 1.00 0.00 O ATOM 0 HA ASP 1 17 1.347 -15.751 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.184 -17.088 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.467 -15.538 -1.862 1.00 0.00 H new ATOM 240 N ARG 1 18 2.458 -13.699 -2.332 1.00 0.00 N ATOM 241 CA ARG 1 18 2.709 -12.312 -1.982 1.00 0.00 C ATOM 242 C ARG 1 18 3.407 -11.590 -3.137 1.00 0.00 C ATOM 243 O ARG 1 18 3.803 -12.219 -4.118 1.00 0.00 O ATOM 244 CB ARG 1 18 3.579 -12.209 -0.727 1.00 0.00 C ATOM 245 CG ARG 1 18 3.042 -13.111 0.387 1.00 0.00 C ATOM 246 CD ARG 1 18 4.187 -13.784 1.147 1.00 0.00 C ATOM 247 NE ARG 1 18 3.671 -14.415 2.383 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.439 -14.767 3.423 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.760 -14.549 3.384 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.885 -15.334 4.503 1.00 0.00 N ATOM 0 H ARG 1 18 3.218 -14.341 -2.105 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.746 -11.842 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.604 -12.492 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.606 -11.175 -0.382 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.439 -12.522 1.078 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.387 -13.871 -0.039 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.662 -14.535 0.516 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.951 -13.048 1.396 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.669 -14.593 2.447 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.181 -14.115 2.563 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.345 -14.817 4.176 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.879 -15.498 4.533 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.470 -15.602 5.295 1.00 0.00 H new ATOM 264 N VAL 1 19 3.537 -10.282 -2.983 1.00 0.00 N ATOM 265 CA VAL 1 19 4.180 -9.467 -4.001 1.00 0.00 C ATOM 266 C VAL 1 19 5.627 -9.192 -3.588 1.00 0.00 C ATOM 267 O VAL 1 19 6.266 -8.285 -4.120 1.00 0.00 O ATOM 268 CB VAL 1 19 3.371 -8.191 -4.238 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.858 -7.458 -5.490 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.876 -8.498 -4.330 1.00 0.00 C ATOM 0 H VAL 1 19 3.208 -9.764 -2.168 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.210 -9.997 -4.953 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.525 -7.533 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.266 -6.554 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.907 -7.189 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.748 -8.108 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.324 -7.573 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.696 -9.184 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.541 -8.956 -3.399 1.00 0.00 H new ATOM 280 N ASP 1 20 6.102 -9.989 -2.643 1.00 0.00 N ATOM 281 CA ASP 1 20 7.462 -9.841 -2.152 1.00 0.00 C ATOM 282 C ASP 1 20 7.852 -8.362 -2.180 1.00 0.00 C ATOM 283 O ASP 1 20 8.454 -7.893 -3.144 1.00 0.00 O ATOM 284 CB ASP 1 20 8.451 -10.607 -3.033 1.00 0.00 C ATOM 285 CG ASP 1 20 9.879 -10.058 -3.030 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.475 -10.030 -1.933 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.342 -9.676 -4.128 1.00 0.00 O ATOM 0 H ASP 1 20 5.569 -10.740 -2.204 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.499 -10.238 -1.137 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.477 -11.646 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.079 -10.605 -4.058 1.00 0.00 H new ATOM 292 N CYS 1 21 7.493 -7.669 -1.109 1.00 0.00 N ATOM 293 CA CYS 1 21 7.798 -6.253 -0.998 1.00 0.00 C ATOM 294 C CYS 1 21 9.264 -6.045 -1.382 1.00 0.00 C ATOM 295 O CYS 1 21 9.604 -5.062 -2.039 1.00 0.00 O ATOM 296 CB CYS 1 21 7.493 -5.716 0.402 1.00 0.00 C ATOM 297 SG CYS 1 21 7.139 -3.923 0.476 1.00 0.00 S ATOM 0 H CYS 1 21 6.994 -8.062 -0.311 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.162 -5.688 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.637 -6.258 0.805 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.342 -5.932 1.051 1.00 0.00 H new ATOM 302 N GLY 1 22 10.093 -6.988 -0.958 1.00 0.00 N ATOM 303 CA GLY 1 22 11.515 -6.920 -1.249 1.00 0.00 C ATOM 304 C GLY 1 22 12.047 -5.498 -1.059 1.00 0.00 C ATOM 305 O GLY 1 22 12.586 -4.904 -1.991 1.00 0.00 O ATOM 0 H GLY 1 22 9.807 -7.803 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.056 -7.605 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.696 -7.246 -2.273 1.00 0.00 H new ATOM 309 N TYR 1 23 11.876 -4.995 0.154 1.00 0.00 N ATOM 310 CA TYR 1 23 12.333 -3.654 0.479 1.00 0.00 C ATOM 311 C TYR 1 23 13.761 -3.678 1.026 1.00 0.00 C ATOM 312 O TYR 1 23 14.162 -4.638 1.685 1.00 0.00 O ATOM 313 CB TYR 1 23 11.390 -3.139 1.569 1.00 0.00 C ATOM 314 CG TYR 1 23 10.296 -2.203 1.054 1.00 0.00 C ATOM 315 CD1 TYR 1 23 9.629 -2.501 -0.117 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.974 -1.062 1.760 1.00 0.00 C ATOM 317 CE1 TYR 1 23 8.598 -1.619 -0.602 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.943 -0.181 1.275 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.307 -0.503 0.118 1.00 0.00 C ATOM 320 OH TYR 1 23 7.333 0.329 -0.340 1.00 0.00 O ATOM 0 H TYR 1 23 11.427 -5.491 0.924 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.330 -3.022 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.922 -3.991 2.063 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.976 -2.615 2.324 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 9.880 -3.395 -0.669 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.495 -0.829 2.677 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 8.068 -1.839 -1.517 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 8.681 0.715 1.818 1.00 0.00 H new ATOM 0 HH TYR 1 23 7.333 0.325 -1.320 1.00 0.00 H new ATOM 330 N PRO 1 24 14.511 -2.584 0.726 1.00 0.00 N ATOM 331 CA PRO 1 24 15.886 -2.471 1.181 1.00 0.00 C ATOM 332 C PRO 1 24 15.945 -2.144 2.674 1.00 0.00 C ATOM 333 O PRO 1 24 17.027 -2.062 3.253 1.00 0.00 O ATOM 334 CB PRO 1 24 16.500 -1.386 0.311 1.00 0.00 C ATOM 335 CG PRO 1 24 15.332 -0.611 -0.277 1.00 0.00 C ATOM 336 CD PRO 1 24 14.071 -1.429 -0.051 1.00 0.00 C ATOM 0 HA PRO 1 24 16.440 -3.405 1.081 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.145 -0.733 0.899 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.117 -1.819 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.244 0.366 0.198 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.487 -0.435 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.317 -0.854 0.487 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.623 -1.735 -0.996 1.00 0.00 H new ATOM 344 N HIS 1 25 14.767 -1.966 3.255 1.00 0.00 N ATOM 345 CA HIS 1 25 14.672 -1.650 4.670 1.00 0.00 C ATOM 346 C HIS 1 25 13.741 -2.651 5.357 1.00 0.00 C ATOM 347 O HIS 1 25 13.310 -2.429 6.488 1.00 0.00 O ATOM 348 CB HIS 1 25 14.234 -0.198 4.874 1.00 0.00 C ATOM 349 CG HIS 1 25 15.313 0.695 5.437 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.404 2.043 5.134 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.345 0.421 6.286 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.448 2.546 5.777 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.029 1.539 6.490 1.00 0.00 N ATOM 0 H HIS 1 25 13.871 -2.035 2.772 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.654 -1.741 5.134 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.902 0.208 3.919 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.375 -0.179 5.544 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.567 -0.543 6.719 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 16.780 3.573 5.742 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.854 1.631 7.083 1.00 0.00 H new ATOM 362 N VAL 1 26 13.459 -3.733 4.645 1.00 0.00 N ATOM 363 CA VAL 1 26 12.588 -4.769 5.173 1.00 0.00 C ATOM 364 C VAL 1 26 12.975 -5.065 6.624 1.00 0.00 C ATOM 365 O VAL 1 26 14.142 -5.316 6.920 1.00 0.00 O ATOM 366 CB VAL 1 26 12.644 -6.007 4.275 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.087 -6.351 3.905 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.949 -7.197 4.938 1.00 0.00 C ATOM 0 H VAL 1 26 13.818 -3.914 3.708 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.551 -4.432 5.176 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.108 -5.777 3.354 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.098 -7.234 3.267 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.536 -5.513 3.372 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.657 -6.552 4.812 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.003 -8.063 4.279 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.443 -7.427 5.882 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.904 -6.949 5.127 1.00 0.00 H new ATOM 378 N THR 1 27 11.973 -5.027 7.490 1.00 0.00 N ATOM 379 CA THR 1 27 12.193 -5.288 8.901 1.00 0.00 C ATOM 380 C THR 1 27 10.861 -5.525 9.614 1.00 0.00 C ATOM 381 O THR 1 27 9.822 -5.031 9.177 1.00 0.00 O ATOM 382 CB THR 1 27 12.993 -4.119 9.479 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.260 -4.687 9.797 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.447 -3.646 10.829 1.00 0.00 C ATOM 0 H THR 1 27 11.006 -4.819 7.241 1.00 0.00 H new ATOM 0 HA THR 1 27 12.771 -6.200 9.049 1.00 0.00 H new ATOM 0 HB THR 1 27 12.983 -3.289 8.772 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.653 -5.082 8.991 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.051 -2.815 11.195 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.414 -3.319 10.709 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.487 -4.467 11.545 1.00 0.00 H new ATOM 392 N PRO 1 28 10.935 -6.299 10.730 1.00 0.00 N ATOM 393 CA PRO 1 28 9.746 -6.607 11.508 1.00 0.00 C ATOM 394 C PRO 1 28 9.305 -5.398 12.335 1.00 0.00 C ATOM 395 O PRO 1 28 9.110 -5.506 13.545 1.00 0.00 O ATOM 396 CB PRO 1 28 10.136 -7.801 12.364 1.00 0.00 C ATOM 397 CG PRO 1 28 11.656 -7.828 12.377 1.00 0.00 C ATOM 398 CD PRO 1 28 12.147 -6.900 11.278 1.00 0.00 C ATOM 0 HA PRO 1 28 8.884 -6.845 10.884 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.739 -7.703 13.374 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.733 -8.726 11.951 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.035 -7.506 13.347 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.021 -8.842 12.213 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.822 -6.140 11.673 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.697 -7.448 10.514 1.00 0.00 H new ATOM 406 N LYS 1 29 9.159 -4.274 11.649 1.00 0.00 N ATOM 407 CA LYS 1 29 8.744 -3.046 12.306 1.00 0.00 C ATOM 408 C LYS 1 29 8.752 -1.901 11.290 1.00 0.00 C ATOM 409 O LYS 1 29 8.081 -0.889 11.484 1.00 0.00 O ATOM 410 CB LYS 1 29 9.607 -2.778 13.540 1.00 0.00 C ATOM 411 CG LYS 1 29 8.781 -2.142 14.660 1.00 0.00 C ATOM 412 CD LYS 1 29 8.826 -2.998 15.927 1.00 0.00 C ATOM 413 CE LYS 1 29 7.580 -3.880 16.037 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.951 -5.248 16.464 1.00 0.00 N ATOM 0 H LYS 1 29 9.321 -4.188 10.646 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.723 -3.139 12.675 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.045 -3.712 13.892 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.434 -2.119 13.274 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.163 -1.144 14.877 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.748 -2.024 14.333 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.719 -3.623 15.916 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.898 -2.354 16.803 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 6.882 -3.446 16.752 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.068 -3.919 15.075 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.094 -5.773 16.730 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.429 -5.738 15.681 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.592 -5.195 17.282 1.00 0.00 H new ATOM 428 N GLU 1 30 9.520 -2.101 10.228 1.00 0.00 N ATOM 429 CA GLU 1 30 9.625 -1.098 9.182 1.00 0.00 C ATOM 430 C GLU 1 30 8.652 -1.415 8.044 1.00 0.00 C ATOM 431 O GLU 1 30 7.970 -0.524 7.540 1.00 0.00 O ATOM 432 CB GLU 1 30 11.060 -0.996 8.663 1.00 0.00 C ATOM 433 CG GLU 1 30 11.731 0.288 9.155 1.00 0.00 C ATOM 434 CD GLU 1 30 13.254 0.143 9.161 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.725 -0.880 9.705 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.914 1.059 8.622 1.00 0.00 O ATOM 0 H GLU 1 30 10.075 -2.942 10.070 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.357 -0.130 9.605 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.633 -1.861 8.996 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.059 -1.015 7.573 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.444 1.121 8.514 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.381 0.524 10.160 1.00 0.00 H new ATOM 443 N CYS 1 31 8.618 -2.687 7.674 1.00 0.00 N ATOM 444 CA CYS 1 31 7.740 -3.132 6.605 1.00 0.00 C ATOM 445 C CYS 1 31 6.309 -2.717 6.955 1.00 0.00 C ATOM 446 O CYS 1 31 5.637 -2.063 6.159 1.00 0.00 O ATOM 447 CB CYS 1 31 7.856 -4.639 6.369 1.00 0.00 C ATOM 448 SG CYS 1 31 9.319 -5.153 5.397 1.00 0.00 S ATOM 0 H CYS 1 31 9.184 -3.423 8.095 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.035 -2.660 5.668 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.884 -5.143 7.335 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.958 -4.983 5.856 1.00 0.00 H new ATOM 453 N ASN 1 32 5.887 -3.115 8.145 1.00 0.00 N ATOM 454 CA ASN 1 32 4.548 -2.793 8.610 1.00 0.00 C ATOM 455 C ASN 1 32 4.429 -1.279 8.799 1.00 0.00 C ATOM 456 O ASN 1 32 3.355 -0.773 9.121 1.00 0.00 O ATOM 457 CB ASN 1 32 4.257 -3.461 9.955 1.00 0.00 C ATOM 458 CG ASN 1 32 3.483 -4.767 9.762 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.124 -5.671 9.027 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.378 -4.943 10.249 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.448 -3.658 8.802 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.837 -3.153 7.867 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.193 -3.662 10.475 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.682 -2.783 10.585 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.942 -4.206 10.804 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.890 -5.827 10.101 1.00 0.00 H new ATOM 467 N ASN 1 33 5.546 -0.599 8.589 1.00 0.00 N ATOM 468 CA ASN 1 33 5.581 0.846 8.732 1.00 0.00 C ATOM 469 C ASN 1 33 5.592 1.492 7.344 1.00 0.00 C ATOM 470 O ASN 1 33 5.106 2.608 7.172 1.00 0.00 O ATOM 471 CB ASN 1 33 6.841 1.296 9.474 1.00 0.00 C ATOM 472 CG ASN 1 33 6.626 2.655 10.144 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.530 3.189 10.188 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.731 3.183 10.662 1.00 0.00 N ATOM 0 H ASN 1 33 6.434 -1.022 8.321 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.701 1.150 9.299 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.109 0.554 10.226 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.676 1.359 8.776 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.692 4.088 11.131 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.617 2.683 10.590 1.00 0.00 H new ATOM 481 N ARG 1 34 6.154 0.762 6.392 1.00 0.00 N ATOM 482 CA ARG 1 34 6.235 1.248 5.026 1.00 0.00 C ATOM 483 C ARG 1 34 4.936 0.948 4.277 1.00 0.00 C ATOM 484 O ARG 1 34 4.583 1.653 3.332 1.00 0.00 O ATOM 485 CB ARG 1 34 7.406 0.604 4.281 1.00 0.00 C ATOM 486 CG ARG 1 34 8.610 0.419 5.206 1.00 0.00 C ATOM 487 CD ARG 1 34 9.904 0.858 4.517 1.00 0.00 C ATOM 488 NE ARG 1 34 10.475 2.033 5.211 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.324 2.901 4.645 1.00 0.00 C ATOM 490 NH1 ARG 1 34 11.706 2.731 3.372 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.791 3.939 5.351 1.00 0.00 N ATOM 0 H ARG 1 34 6.558 -0.163 6.540 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.393 2.326 5.067 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.099 -0.362 3.880 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.688 1.227 3.432 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.465 0.998 6.118 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.688 -0.627 5.502 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.623 0.039 4.520 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.705 1.103 3.474 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.205 2.192 6.182 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.350 1.941 2.834 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 12.352 3.392 2.941 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.500 4.069 6.320 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 12.437 4.600 4.920 1.00 0.00 H new ATOM 505 N GLY 1 35 4.259 -0.099 4.727 1.00 0.00 N ATOM 506 CA GLY 1 35 3.006 -0.500 4.110 1.00 0.00 C ATOM 507 C GLY 1 35 3.074 -1.949 3.624 1.00 0.00 C ATOM 508 O GLY 1 35 2.362 -2.331 2.696 1.00 0.00 O ATOM 0 H GLY 1 35 4.554 -0.681 5.511 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.192 -0.391 4.827 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.782 0.159 3.271 1.00 0.00 H new ATOM 512 N CYS 1 36 3.936 -2.719 4.273 1.00 0.00 N ATOM 513 CA CYS 1 36 4.106 -4.117 3.919 1.00 0.00 C ATOM 514 C CYS 1 36 3.765 -4.968 5.145 1.00 0.00 C ATOM 515 O CYS 1 36 3.427 -4.435 6.200 1.00 0.00 O ATOM 516 CB CYS 1 36 5.517 -4.402 3.402 1.00 0.00 C ATOM 517 SG CYS 1 36 6.007 -3.428 1.931 1.00 0.00 S ATOM 0 H CYS 1 36 4.524 -2.400 5.043 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.432 -4.372 3.101 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.229 -4.206 4.204 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.593 -5.462 3.160 1.00 0.00 H new ATOM 522 N CYS 1 37 3.866 -6.276 4.962 1.00 0.00 N ATOM 523 CA CYS 1 37 3.573 -7.206 6.040 1.00 0.00 C ATOM 524 C CYS 1 37 4.778 -8.132 6.218 1.00 0.00 C ATOM 525 O CYS 1 37 5.181 -8.818 5.279 1.00 0.00 O ATOM 526 CB CYS 1 37 2.285 -7.989 5.776 1.00 0.00 C ATOM 527 SG CYS 1 37 1.494 -8.692 7.270 1.00 0.00 S ATOM 0 H CYS 1 37 4.146 -6.714 4.084 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.402 -6.654 6.964 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.572 -7.331 5.280 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.505 -8.801 5.083 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.414 -9.330 6.930 1.00 0.00 H new ATOM 532 N PHE 1 38 5.318 -8.122 7.428 1.00 0.00 N ATOM 533 CA PHE 1 38 6.469 -8.953 7.739 1.00 0.00 C ATOM 534 C PHE 1 38 6.031 -10.338 8.217 1.00 0.00 C ATOM 535 O PHE 1 38 5.277 -10.456 9.181 1.00 0.00 O ATOM 536 CB PHE 1 38 7.231 -8.254 8.867 1.00 0.00 C ATOM 537 CG PHE 1 38 8.618 -8.841 9.138 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.693 -8.401 8.429 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.776 -9.803 10.086 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.979 -8.946 8.681 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.062 -10.348 10.337 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.137 -9.908 9.629 1.00 0.00 C ATOM 0 H PHE 1 38 4.980 -7.552 8.204 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.086 -9.084 6.850 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.337 -7.198 8.620 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.639 -8.310 9.781 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.568 -7.638 7.675 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.923 -10.152 10.648 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.833 -8.596 8.119 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.187 -11.112 11.090 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.116 -10.323 9.820 1.00 0.00 H new ATOM 552 N ASP 1 39 6.524 -11.352 7.520 1.00 0.00 N ATOM 553 CA ASP 1 39 6.193 -12.725 7.861 1.00 0.00 C ATOM 554 C ASP 1 39 7.234 -13.267 8.841 1.00 0.00 C ATOM 555 O ASP 1 39 7.005 -13.284 10.050 1.00 0.00 O ATOM 556 CB ASP 1 39 6.203 -13.618 6.618 1.00 0.00 C ATOM 557 CG ASP 1 39 5.987 -15.108 6.892 1.00 0.00 C ATOM 558 OD1 ASP 1 39 4.867 -15.449 7.328 1.00 0.00 O ATOM 559 OD2 ASP 1 39 6.949 -15.872 6.658 1.00 0.00 O ATOM 0 H ASP 1 39 7.150 -11.250 6.721 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.197 -12.733 8.303 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.427 -13.273 5.935 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.157 -13.492 6.106 1.00 0.00 H new ATOM 564 N SER 1 40 8.357 -13.697 8.285 1.00 0.00 N ATOM 565 CA SER 1 40 9.435 -14.239 9.095 1.00 0.00 C ATOM 566 C SER 1 40 9.208 -15.733 9.336 1.00 0.00 C ATOM 567 O SER 1 40 10.115 -16.440 9.775 1.00 0.00 O ATOM 568 CB SER 1 40 9.548 -13.497 10.428 1.00 0.00 C ATOM 569 OG SER 1 40 10.905 -13.277 10.804 1.00 0.00 O ATOM 0 H SER 1 40 8.544 -13.681 7.282 1.00 0.00 H new ATOM 0 HA SER 1 40 10.372 -14.103 8.554 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.033 -12.539 10.355 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.045 -14.071 11.206 1.00 0.00 H new ATOM 0 HG SER 1 40 11.200 -12.405 10.469 1.00 0.00 H new ATOM 575 N ARG 1 41 7.993 -16.170 9.040 1.00 0.00 N ATOM 576 CA ARG 1 41 7.636 -17.566 9.219 1.00 0.00 C ATOM 577 C ARG 1 41 8.441 -18.448 8.262 1.00 0.00 C ATOM 578 O ARG 1 41 8.934 -19.505 8.652 1.00 0.00 O ATOM 579 CB ARG 1 41 6.142 -17.789 8.973 1.00 0.00 C ATOM 580 CG ARG 1 41 5.298 -17.023 9.992 1.00 0.00 C ATOM 581 CD ARG 1 41 4.135 -17.880 10.497 1.00 0.00 C ATOM 582 NE ARG 1 41 4.547 -18.631 11.703 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.692 -19.233 12.542 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.374 -19.174 12.311 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.157 -19.893 13.611 1.00 0.00 N ATOM 0 H ARG 1 41 7.243 -15.581 8.677 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.867 -17.837 10.249 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.884 -17.465 7.965 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.915 -18.853 9.034 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.923 -16.720 10.832 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.911 -16.111 9.537 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.279 -17.246 10.728 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.818 -18.573 9.718 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.544 -18.695 11.909 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.021 -18.671 11.497 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.723 -19.632 12.949 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.161 -19.937 13.786 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.507 -20.351 14.250 1.00 0.00 H new ATOM 599 N ILE 1 42 8.549 -17.980 7.028 1.00 0.00 N ATOM 600 CA ILE 1 42 9.285 -18.712 6.011 1.00 0.00 C ATOM 601 C ILE 1 42 10.410 -17.827 5.467 1.00 0.00 C ATOM 602 O ILE 1 42 10.149 -16.827 4.801 1.00 0.00 O ATOM 603 CB ILE 1 42 8.336 -19.233 4.931 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.960 -19.553 5.520 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.941 -20.434 4.202 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.128 -20.388 4.545 1.00 0.00 C ATOM 0 H ILE 1 42 8.139 -17.102 6.709 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.753 -19.596 6.443 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.195 -18.446 4.191 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.079 -20.094 6.459 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.435 -18.626 5.751 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.246 -20.785 3.439 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.878 -20.139 3.730 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.131 -21.235 4.916 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.155 -20.602 4.987 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.991 -19.834 3.617 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.645 -21.324 4.335 1.00 0.00 H new ATOM 618 N PRO 1 43 11.667 -18.241 5.779 1.00 0.00 N ATOM 619 CA PRO 1 43 12.832 -17.498 5.328 1.00 0.00 C ATOM 620 C PRO 1 43 13.088 -17.731 3.837 1.00 0.00 C ATOM 621 O PRO 1 43 13.970 -17.105 3.250 1.00 0.00 O ATOM 622 CB PRO 1 43 13.973 -17.983 6.208 1.00 0.00 C ATOM 623 CG PRO 1 43 13.510 -19.304 6.800 1.00 0.00 C ATOM 624 CD PRO 1 43 12.013 -19.422 6.565 1.00 0.00 C ATOM 0 HA PRO 1 43 12.704 -16.420 5.421 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.886 -18.114 5.627 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.196 -17.260 6.993 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.036 -20.137 6.333 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.733 -19.343 7.866 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.767 -20.339 6.030 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.465 -19.445 7.507 1.00 0.00 H new ATOM 632 N GLY 1 44 12.300 -18.631 3.268 1.00 0.00 N ATOM 633 CA GLY 1 44 12.430 -18.955 1.857 1.00 0.00 C ATOM 634 C GLY 1 44 11.450 -18.135 1.014 1.00 0.00 C ATOM 635 O GLY 1 44 11.478 -18.199 -0.214 1.00 0.00 O ATOM 0 H GLY 1 44 11.569 -19.146 3.758 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.451 -18.760 1.528 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.244 -20.018 1.706 1.00 0.00 H new ATOM 639 N VAL 1 45 10.606 -17.386 1.708 1.00 0.00 N ATOM 640 CA VAL 1 45 9.619 -16.555 1.040 1.00 0.00 C ATOM 641 C VAL 1 45 9.846 -15.092 1.423 1.00 0.00 C ATOM 642 O VAL 1 45 10.783 -14.777 2.156 1.00 0.00 O ATOM 643 CB VAL 1 45 8.209 -17.048 1.373 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.195 -18.562 1.592 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.644 -16.311 2.589 1.00 0.00 C ATOM 0 H VAL 1 45 10.585 -17.337 2.727 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.728 -16.628 -0.042 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.566 -16.828 0.520 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.181 -18.886 1.827 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.536 -19.064 0.686 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.858 -18.816 2.419 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.641 -16.680 2.805 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.288 -16.485 3.451 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.600 -15.242 2.379 1.00 0.00 H new ATOM 655 N PRO 1 46 8.952 -14.213 0.894 1.00 0.00 N ATOM 656 CA PRO 1 46 9.047 -12.791 1.173 1.00 0.00 C ATOM 657 C PRO 1 46 8.569 -12.477 2.592 1.00 0.00 C ATOM 658 O PRO 1 46 7.399 -12.677 2.916 1.00 0.00 O ATOM 659 CB PRO 1 46 8.200 -12.123 0.101 1.00 0.00 C ATOM 660 CG PRO 1 46 7.295 -13.210 -0.452 1.00 0.00 C ATOM 661 CD PRO 1 46 7.831 -14.551 0.022 1.00 0.00 C ATOM 0 HA PRO 1 46 10.073 -12.424 1.140 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.616 -11.304 0.519 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.826 -11.699 -0.684 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.271 -13.065 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.274 -13.171 -1.541 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.068 -15.116 0.558 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.153 -15.168 -0.817 1.00 0.00 H new ATOM 669 N TRP 1 47 9.499 -11.991 3.401 1.00 0.00 N ATOM 670 CA TRP 1 47 9.188 -11.648 4.779 1.00 0.00 C ATOM 671 C TRP 1 47 8.753 -10.182 4.813 1.00 0.00 C ATOM 672 O TRP 1 47 8.927 -9.502 5.824 1.00 0.00 O ATOM 673 CB TRP 1 47 10.375 -11.941 5.698 1.00 0.00 C ATOM 674 CG TRP 1 47 11.497 -12.739 5.031 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.573 -14.066 4.854 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.708 -12.205 4.456 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.740 -14.424 4.210 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.451 -13.257 3.960 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.160 -10.877 4.358 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.692 -13.089 3.331 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.401 -10.727 3.727 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.162 -11.775 3.222 1.00 0.00 C ATOM 0 H TRP 1 47 10.468 -11.826 3.129 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.371 -12.263 5.155 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.781 -10.997 6.062 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.020 -12.492 6.569 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.816 -14.766 5.175 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.027 -15.371 3.963 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.595 -10.039 4.739 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.255 -13.928 2.951 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.795 -9.726 3.625 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.112 -11.576 2.748 1.00 0.00 H new ATOM 693 N CYS 1 48 8.194 -9.737 3.698 1.00 0.00 N ATOM 694 CA CYS 1 48 7.731 -8.364 3.588 1.00 0.00 C ATOM 695 C CYS 1 48 6.963 -8.219 2.273 1.00 0.00 C ATOM 696 O CYS 1 48 7.561 -8.212 1.198 1.00 0.00 O ATOM 697 CB CYS 1 48 8.889 -7.368 3.685 1.00 0.00 C ATOM 698 SG CYS 1 48 8.389 -5.607 3.698 1.00 0.00 S ATOM 0 H CYS 1 48 8.051 -10.303 2.862 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.068 -8.133 4.422 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.454 -7.577 4.593 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.563 -7.533 2.845 1.00 0.00 H new ATOM 703 N PHE 1 49 5.649 -8.106 2.402 1.00 0.00 N ATOM 704 CA PHE 1 49 4.792 -7.963 1.238 1.00 0.00 C ATOM 705 C PHE 1 49 3.655 -6.977 1.512 1.00 0.00 C ATOM 706 O PHE 1 49 3.674 -6.266 2.516 1.00 0.00 O ATOM 707 CB PHE 1 49 4.197 -9.342 0.947 1.00 0.00 C ATOM 708 CG PHE 1 49 4.074 -10.239 2.180 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.195 -10.696 2.803 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.847 -10.581 2.654 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.081 -11.529 3.947 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.733 -11.413 3.798 1.00 0.00 C ATOM 713 CZ PHE 1 49 3.853 -11.870 4.420 1.00 0.00 C ATOM 0 H PHE 1 49 5.157 -8.111 3.296 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.370 -7.584 0.395 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.210 -9.214 0.503 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.817 -9.845 0.205 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.171 -10.425 2.427 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 1.958 -10.219 2.159 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 5.970 -11.892 4.442 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.757 -11.683 4.175 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.767 -12.504 5.290 1.00 0.00 H new ATOM 723 N LYS 1 50 2.692 -6.966 0.602 1.00 0.00 N ATOM 724 CA LYS 1 50 1.549 -6.078 0.733 1.00 0.00 C ATOM 725 C LYS 1 50 0.264 -6.908 0.745 1.00 0.00 C ATOM 726 O LYS 1 50 -0.525 -6.852 -0.196 1.00 0.00 O ATOM 727 CB LYS 1 50 1.577 -5.004 -0.355 1.00 0.00 C ATOM 728 CG LYS 1 50 2.605 -5.344 -1.436 1.00 0.00 C ATOM 729 CD LYS 1 50 4.005 -4.888 -1.023 1.00 0.00 C ATOM 730 CE LYS 1 50 3.991 -3.433 -0.551 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.124 -2.612 -1.427 1.00 0.00 N ATOM 0 H LYS 1 50 2.680 -7.558 -0.229 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.591 -5.540 1.680 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.588 -4.911 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.817 -4.038 0.089 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.607 -6.419 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.324 -4.864 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.379 -5.529 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.689 -4.994 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.632 -3.381 0.477 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 5.005 -3.033 -0.555 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.462 -1.629 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.154 -2.988 -2.396 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.146 -2.642 -1.074 1.00 0.00 H new ATOM 745 N PRO 1 51 0.088 -7.680 1.853 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.088 -8.520 2.000 1.00 0.00 C ATOM 747 C PRO 1 51 -2.321 -7.682 2.345 1.00 0.00 C ATOM 748 O PRO 1 51 -2.916 -7.056 1.469 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.725 -9.518 3.087 1.00 0.00 C ATOM 750 CG PRO 1 51 0.456 -8.913 3.830 1.00 0.00 C ATOM 751 CD PRO 1 51 1.000 -7.770 2.988 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.355 -9.036 1.077 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.566 -9.686 3.760 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.463 -10.485 2.658 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.146 -8.551 4.810 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.227 -9.665 3.997 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.023 -6.838 3.553 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.021 -7.970 2.661 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.669 -7.698 3.624 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.820 -6.947 4.095 1.00 0.00 C ATOM 761 C LEU 1 52 -3.387 -5.522 4.442 1.00 0.00 C ATOM 762 O LEU 1 52 -3.922 -4.915 5.368 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.501 -7.682 5.253 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.129 -7.207 6.659 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.480 -8.267 7.705 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.658 -6.796 6.729 1.00 0.00 C ATOM 0 H LEU 1 52 -2.174 -8.219 4.348 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.572 -6.869 3.310 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.580 -7.588 5.133 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.263 -8.743 5.174 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.720 -6.320 6.888 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.206 -7.905 8.696 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.551 -8.467 7.675 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.934 -9.185 7.490 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.421 -6.463 7.739 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -2.029 -7.648 6.471 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.473 -5.983 6.026 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.421 -5.029 3.680 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.910 -3.686 3.895 1.00 0.00 C ATOM 780 C GLN 1 53 -3.043 -2.663 3.790 1.00 0.00 C ATOM 781 O GLN 1 53 -2.917 -1.538 4.271 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.786 -3.362 2.909 1.00 0.00 C ATOM 783 CG GLN 1 53 0.385 -4.334 3.074 1.00 0.00 C ATOM 784 CD GLN 1 53 0.847 -4.393 4.533 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.597 -3.555 5.007 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.358 -5.424 5.213 1.00 0.00 N ATOM 0 H GLN 1 53 -1.979 -5.536 2.913 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.493 -3.635 4.901 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.166 -3.415 1.889 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.441 -2.340 3.068 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.086 -5.329 2.743 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.214 -4.022 2.439 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.265 -6.088 4.754 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.606 -5.551 6.194 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.125 -3.090 3.155 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.279 -2.225 2.979 1.00 0.00 C ATOM 797 C GLU 1 54 -5.593 -1.487 4.282 1.00 0.00 C ATOM 798 O GLU 1 54 -6.200 -0.418 4.263 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.493 -3.023 2.494 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.575 -4.377 3.199 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.030 -4.768 3.467 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.660 -4.076 4.295 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.479 -5.751 2.838 1.00 0.00 O ATOM 0 H GLU 1 54 -4.227 -4.023 2.756 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.042 -1.486 2.214 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.404 -2.455 2.682 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.427 -3.173 1.416 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.097 -5.140 2.585 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.027 -4.335 4.140 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.165 -2.088 5.383 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.392 -1.501 6.692 1.00 0.00 C ATOM 812 C ALA 1 55 -5.190 0.013 6.610 1.00 0.00 C ATOM 813 O ALA 1 55 -6.130 0.781 6.812 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.464 -2.159 7.714 1.00 0.00 C ATOM 0 H ALA 1 55 -4.662 -2.975 5.395 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.416 -1.679 7.020 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.634 -1.719 8.696 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.669 -3.229 7.755 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.427 -1.999 7.419 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.958 0.398 6.312 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.619 1.807 6.200 1.00 0.00 C ATOM 822 C GLU 1 56 -2.773 2.052 4.950 1.00 0.00 C ATOM 823 O GLU 1 56 -2.010 3.015 4.891 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.898 2.298 7.457 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.855 3.062 8.375 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.383 4.503 8.581 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -3.154 5.177 7.554 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.263 4.897 9.761 1.00 0.00 O ATOM 0 H GLU 1 56 -3.181 -0.242 6.144 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.543 2.377 6.105 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.475 1.449 7.993 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.066 2.943 7.175 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.856 3.061 7.944 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.922 2.556 9.338 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.934 1.163 3.980 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.194 1.271 2.734 1.00 0.00 C ATOM 837 C CYS 1 57 -3.148 1.779 1.652 1.00 0.00 C ATOM 838 O CYS 1 57 -2.901 2.816 1.038 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.545 -0.058 2.346 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.149 0.084 1.171 1.00 0.00 S ATOM 0 H CYS 1 57 -3.566 0.364 4.032 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.374 1.979 2.854 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.191 -0.551 3.251 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.306 -0.704 1.908 1.00 0.00 H new ATOM 845 N THR 1 58 -4.218 1.024 1.450 1.00 0.00 N ATOM 846 CA THR 1 58 -5.210 1.385 0.450 1.00 0.00 C ATOM 847 C THR 1 58 -5.973 2.638 0.885 1.00 0.00 C ATOM 848 O THR 1 58 -6.347 3.462 0.051 1.00 0.00 O ATOM 849 CB THR 1 58 -6.115 0.172 0.222 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.719 0.423 -1.043 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.293 0.128 1.197 1.00 0.00 C ATOM 0 H THR 1 58 -4.420 0.165 1.961 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.740 1.641 -0.499 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.529 -0.742 0.321 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.532 -0.118 -1.131 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.903 -0.752 0.991 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.918 0.079 2.219 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.899 1.026 1.076 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.181 2.742 2.189 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.893 3.881 2.744 1.00 0.00 C ATOM 861 C PHE 1 59 -6.601 5.153 1.945 1.00 0.00 C ATOM 862 O PHE 1 59 -7.457 5.637 1.206 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.391 4.067 4.178 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.371 4.810 5.088 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.916 5.988 4.683 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.696 4.293 6.303 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.825 6.678 5.528 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.605 4.982 7.149 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.150 6.161 6.743 1.00 0.00 C ATOM 0 H PHE 1 59 -5.869 2.057 2.877 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.967 3.701 2.709 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.182 3.088 4.609 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.448 4.613 4.154 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.657 6.399 3.718 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -7.262 3.358 6.625 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.258 7.613 5.206 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.864 4.571 8.114 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.841 6.686 7.386 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.468 15.276 0.008 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.105 14.216 0.770 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.144 13.031 0.892 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.561 11.920 1.211 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.375 13.725 0.074 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.356 12.970 0.974 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.124 11.759 1.175 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.315 13.621 1.441 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.362 14.615 1.751 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.889 14.583 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.090 13.075 -0.753 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.876 13.312 0.631 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.852 12.283 0.707 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.255 12.232 2.115 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.525 13.103 2.940 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.735 12.542 -0.305 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.307 12.811 -1.697 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.521 13.913 -2.410 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.891 13.954 -3.843 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.172 14.576 -4.787 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.041 15.213 -4.456 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.585 14.560 -6.062 1.00 0.00 N ATOM 0 H ARG 2 18 -6.534 14.236 0.367 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.323 11.328 0.474 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.138 13.395 0.018 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.067 11.681 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.277 11.896 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.354 13.102 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.727 14.877 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.451 13.732 -2.307 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.747 13.479 -4.129 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.727 15.224 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.493 15.687 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.446 14.075 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.038 15.033 -6.781 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.453 11.202 2.346 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.815 11.026 3.640 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.396 11.593 3.585 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.561 11.271 4.429 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.854 9.552 4.046 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.533 9.384 5.533 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.207 8.924 3.704 1.00 0.00 C ATOM 0 H VAL 2 19 -4.231 10.481 1.659 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.355 11.576 4.410 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.087 9.028 3.476 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.568 8.327 5.795 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.537 9.776 5.737 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.266 9.929 6.127 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.208 7.876 4.003 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.998 9.453 4.235 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.380 8.995 2.630 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.165 12.430 2.583 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.860 13.046 2.408 1.00 0.00 C ATOM 1161 C ASP 2 20 0.219 12.105 2.945 1.00 0.00 C ATOM 1162 O ASP 2 20 0.674 12.259 4.077 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.766 14.364 3.178 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.652 14.778 3.578 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.523 14.760 2.682 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.833 15.103 4.772 1.00 0.00 O ATOM 0 H ASP 2 20 -2.859 12.696 1.885 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.718 13.239 1.345 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.201 15.156 2.568 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.374 14.285 4.080 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.598 11.150 2.108 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.615 10.185 2.485 1.00 0.00 C ATOM 1173 C CYS 2 21 2.788 10.942 3.110 1.00 0.00 C ATOM 1174 O CYS 2 21 3.397 10.469 4.068 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.056 9.332 1.292 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.350 7.568 1.677 1.00 0.00 S ATOM 0 H CYS 2 21 0.218 11.025 1.170 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.205 9.487 3.215 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.294 9.398 0.515 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.971 9.756 0.878 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.071 12.105 2.540 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.160 12.933 3.030 1.00 0.00 C ATOM 1183 C GLY 2 22 5.474 12.148 3.059 1.00 0.00 C ATOM 1184 O GLY 2 22 6.094 12.009 4.112 1.00 0.00 O ATOM 0 H GLY 2 22 2.565 12.493 1.744 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.270 13.810 2.393 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.925 13.294 4.031 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.859 11.657 1.890 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.087 10.891 1.769 1.00 0.00 C ATOM 1190 C TYR 2 23 8.271 11.801 1.433 1.00 0.00 C ATOM 1191 O TYR 2 23 8.137 12.732 0.640 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.863 9.917 0.610 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.747 8.454 1.041 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.884 7.720 1.310 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.503 7.867 1.160 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.773 6.343 1.716 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.393 6.490 1.566 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.533 5.795 1.824 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.429 4.495 2.207 1.00 0.00 O ATOM 0 H TYR 2 23 5.342 11.775 1.019 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.316 10.382 2.705 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.954 10.202 0.080 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.688 10.013 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.857 8.178 1.216 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.613 8.441 0.949 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.655 5.758 1.930 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.426 6.019 1.664 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.484 4.239 2.242 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.431 11.492 2.070 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.637 12.272 1.847 1.00 0.00 C ATOM 1211 C PRO 2 24 11.256 11.947 0.487 1.00 0.00 C ATOM 1212 O PRO 2 24 12.249 12.556 0.090 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.550 11.927 3.013 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.016 10.626 3.590 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.627 10.397 3.016 1.00 0.00 C ATOM 0 HA PRO 2 24 10.444 13.344 1.813 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.582 11.812 2.681 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.543 12.719 3.762 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.676 9.796 3.336 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.976 10.679 4.678 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.558 9.429 2.520 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.868 10.409 3.799 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.645 10.986 -0.191 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.124 10.573 -1.500 1.00 0.00 C ATOM 1225 C HIS 2 25 9.998 10.707 -2.526 1.00 0.00 C ATOM 1226 O HIS 2 25 10.127 10.249 -3.659 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.708 9.160 -1.442 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.905 8.952 -2.341 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.755 7.867 -2.219 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.382 9.700 -3.377 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.699 7.970 -3.144 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.466 9.107 -3.860 1.00 0.00 N ATOM 0 H HIS 2 25 9.823 10.482 0.141 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.936 11.228 -1.817 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.996 8.939 -0.414 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.932 8.446 -1.717 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.950 10.620 -3.742 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.510 7.275 -3.303 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.032 9.446 -4.638 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.917 11.338 -2.090 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.767 11.539 -2.956 1.00 0.00 C ATOM 1243 C VAL 2 26 8.249 11.771 -4.389 1.00 0.00 C ATOM 1244 O VAL 2 26 9.068 12.655 -4.637 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.904 12.684 -2.423 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.767 13.884 -2.030 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.836 13.086 -3.441 1.00 0.00 C ATOM 0 H VAL 2 26 8.813 11.717 -1.149 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.135 10.651 -2.965 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.395 12.330 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.129 14.684 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.471 13.587 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.317 14.238 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.237 13.902 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.317 13.412 -4.363 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.192 12.232 -3.649 1.00 0.00 H new ATOM 1257 N THR 2 27 7.720 10.962 -5.295 1.00 0.00 N ATOM 1258 CA THR 2 27 8.085 11.069 -6.698 1.00 0.00 C ATOM 1259 C THR 2 27 7.146 10.222 -7.560 1.00 0.00 C ATOM 1260 O THR 2 27 6.551 9.261 -7.076 1.00 0.00 O ATOM 1261 CB THR 2 27 9.557 10.672 -6.835 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.184 11.843 -7.353 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.781 9.617 -7.919 1.00 0.00 C ATOM 0 H THR 2 27 7.042 10.230 -5.085 1.00 0.00 H new ATOM 0 HA THR 2 27 7.973 12.092 -7.058 1.00 0.00 H new ATOM 0 HB THR 2 27 9.922 10.292 -5.880 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.101 12.573 -6.704 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.842 9.372 -7.974 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.213 8.719 -7.676 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.448 10.007 -8.881 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.039 10.621 -8.856 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.182 9.910 -9.789 1.00 0.00 C ATOM 1273 C PRO 2 28 6.815 8.584 -10.213 1.00 0.00 C ATOM 1274 O PRO 2 28 6.860 8.266 -11.401 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.982 10.871 -10.950 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.102 11.893 -10.842 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.729 11.756 -9.464 1.00 0.00 C ATOM 0 HA PRO 2 28 5.224 9.630 -9.351 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.024 10.345 -11.904 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.006 11.353 -10.894 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.848 11.725 -11.619 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.714 12.901 -10.986 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.802 11.577 -9.533 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.594 12.663 -8.875 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.289 7.846 -9.221 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.917 6.561 -9.476 1.00 0.00 C ATOM 1287 C LYS 2 29 8.342 5.933 -8.147 1.00 0.00 C ATOM 1288 O LYS 2 29 8.647 4.743 -8.088 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.064 6.715 -10.476 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.214 5.459 -11.337 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.309 5.818 -12.820 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.363 4.558 -13.687 1.00 0.00 C ATOM 1293 NZ LYS 2 29 10.003 4.851 -14.988 1.00 0.00 N ATOM 0 H LYS 2 29 7.251 8.114 -8.237 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.208 5.876 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.880 7.579 -11.115 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.994 6.907 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.106 4.911 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.363 4.798 -11.173 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.450 6.424 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.199 6.423 -12.995 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.919 3.777 -13.169 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.355 4.177 -13.849 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 10.031 3.985 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 9.456 5.581 -15.487 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 10.972 5.193 -14.829 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.348 6.761 -7.113 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.731 6.301 -5.788 1.00 0.00 C ATOM 1309 C GLU 2 30 7.486 6.063 -4.930 1.00 0.00 C ATOM 1310 O GLU 2 30 7.393 5.053 -4.234 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.678 7.295 -5.115 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.130 6.825 -5.219 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.819 7.437 -6.440 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.186 8.629 -6.346 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.965 6.701 -7.439 1.00 0.00 O ATOM 0 H GLU 2 30 8.094 7.747 -7.165 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.264 5.356 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.575 8.274 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.404 7.411 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.671 7.103 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.160 5.738 -5.287 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.562 7.009 -5.007 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.328 6.915 -4.246 1.00 0.00 C ATOM 1324 C CYS 2 31 4.613 5.624 -4.648 1.00 0.00 C ATOM 1325 O CYS 2 31 4.281 4.802 -3.794 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.442 8.145 -4.451 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.055 9.674 -3.653 1.00 0.00 S ATOM 0 H CYS 2 31 6.643 7.845 -5.585 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.556 6.886 -3.181 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.339 8.327 -5.521 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.446 7.926 -4.067 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.399 5.483 -5.948 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.730 4.306 -6.473 1.00 0.00 C ATOM 1334 C ASN 2 32 4.581 3.069 -6.181 1.00 0.00 C ATOM 1335 O ASN 2 32 4.129 1.941 -6.374 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.547 4.407 -7.989 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.792 5.683 -8.367 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.690 5.892 -7.651 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 3.184 6.429 -9.249 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.678 6.165 -6.653 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.753 4.232 -5.996 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.521 4.399 -8.478 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.001 3.536 -8.352 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 4.039 6.209 -9.760 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.657 7.273 -9.475 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.797 3.321 -5.720 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.715 2.242 -5.400 1.00 0.00 C ATOM 1348 C ASN 2 33 6.673 1.972 -3.894 1.00 0.00 C ATOM 1349 O ASN 2 33 6.922 0.851 -3.453 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.151 2.610 -5.774 1.00 0.00 C ATOM 1351 CG ASN 2 33 9.046 1.369 -5.808 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.597 0.246 -5.651 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.331 1.635 -6.020 1.00 0.00 N ATOM 0 H ASN 2 33 6.168 4.258 -5.560 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.410 1.362 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.163 3.098 -6.749 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.545 3.327 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 11.009 0.874 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.639 2.600 -6.143 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.355 3.019 -3.147 1.00 0.00 N ATOM 1361 CA ARG 2 34 6.276 2.910 -1.700 1.00 0.00 C ATOM 1362 C ARG 2 34 4.880 2.449 -1.277 1.00 0.00 C ATOM 1363 O ARG 2 34 4.714 1.860 -0.210 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.589 4.248 -1.029 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.800 4.920 -1.681 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.864 5.264 -0.636 1.00 0.00 C ATOM 1367 NE ARG 2 34 10.211 4.954 -1.166 1.00 0.00 N ATOM 1368 CZ ARG 2 34 11.353 5.251 -0.531 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 11.319 5.867 0.658 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.530 4.931 -1.086 1.00 0.00 N ATOM 0 H ARG 2 34 6.149 3.947 -3.517 1.00 0.00 H new ATOM 0 HA ARG 2 34 7.016 2.175 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.722 4.905 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.784 4.090 0.032 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 8.226 4.258 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.484 5.827 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.801 6.320 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.684 4.698 0.278 1.00 0.00 H new ATOM 0 HE ARG 2 34 10.274 4.486 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.423 6.110 1.081 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 12.189 6.093 1.141 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.556 4.462 -1.991 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 13.400 5.157 -0.603 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.912 2.734 -2.135 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.536 2.356 -1.865 1.00 0.00 C ATOM 1386 C GLY 2 35 1.634 3.589 -1.785 1.00 0.00 C ATOM 1387 O GLY 2 35 0.576 3.549 -1.159 1.00 0.00 O ATOM 0 H GLY 2 35 4.054 3.223 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 2.178 1.689 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.485 1.802 -0.928 1.00 0.00 H new ATOM 1391 N CYS 2 36 2.086 4.656 -2.428 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.333 5.898 -2.438 1.00 0.00 C ATOM 1393 C CYS 2 36 1.033 6.267 -3.893 1.00 0.00 C ATOM 1394 O CYS 2 36 1.567 5.653 -4.815 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.078 7.017 -1.708 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.525 6.638 0.025 1.00 0.00 S ATOM 0 H CYS 2 36 2.964 4.686 -2.946 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.396 5.762 -1.898 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.988 7.249 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.460 7.915 -1.721 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.180 7.268 -4.052 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.197 7.726 -5.379 1.00 0.00 C ATOM 1403 C CYS 2 37 0.340 9.145 -5.568 1.00 0.00 C ATOM 1404 O CYS 2 37 0.208 9.986 -4.680 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.711 7.655 -5.592 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.230 7.436 -7.334 1.00 0.00 S ATOM 0 H CYS 2 37 -0.261 7.775 -3.284 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.241 7.070 -6.131 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.109 6.829 -5.002 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.162 8.569 -5.205 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.528 7.387 -7.397 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.935 9.369 -6.731 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.494 10.673 -7.047 1.00 0.00 C ATOM 1413 C PHE 2 38 0.508 11.506 -7.868 1.00 0.00 C ATOM 1414 O PHE 2 38 0.148 11.130 -8.983 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.754 10.429 -7.880 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.653 11.660 -8.022 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.545 11.966 -7.042 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.560 12.446 -9.128 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.379 13.109 -7.174 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.394 13.587 -9.260 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.286 13.895 -8.280 1.00 0.00 C ATOM 0 H PHE 2 38 1.042 8.670 -7.466 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.713 11.218 -6.128 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.328 9.623 -7.424 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.461 10.089 -8.873 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.619 11.341 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.852 12.202 -9.906 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.087 13.354 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.320 14.211 -10.139 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.920 14.763 -8.380 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.098 12.624 -7.285 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.839 13.514 -7.949 1.00 0.00 C ATOM 1433 C ASP 2 39 -0.101 14.321 -9.018 1.00 0.00 C ATOM 1434 O ASP 2 39 -0.128 13.969 -10.196 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.460 14.499 -6.956 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.742 15.893 -7.521 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.695 15.998 -8.324 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.999 16.822 -7.136 1.00 0.00 O ATOM 0 H ASP 2 39 0.398 12.933 -6.360 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.626 12.904 -8.393 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.394 14.078 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.793 14.598 -6.100 1.00 0.00 H new ATOM 1443 N SER 2 40 0.544 15.388 -8.567 1.00 0.00 N ATOM 1444 CA SER 2 40 1.289 16.248 -9.471 1.00 0.00 C ATOM 1445 C SER 2 40 0.357 17.295 -10.085 1.00 0.00 C ATOM 1446 O SER 2 40 0.807 18.359 -10.509 1.00 0.00 O ATOM 1447 CB SER 2 40 1.970 15.432 -10.572 1.00 0.00 C ATOM 1448 OG SER 2 40 3.220 15.998 -10.960 1.00 0.00 O ATOM 0 H SER 2 40 0.566 15.676 -7.589 1.00 0.00 H new ATOM 0 HA SER 2 40 2.066 16.754 -8.898 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.127 14.411 -10.223 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.313 15.374 -11.440 1.00 0.00 H new ATOM 0 HG SER 2 40 3.624 15.448 -11.663 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.923 16.957 -10.114 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.922 17.854 -10.669 1.00 0.00 C ATOM 1456 C ARG 2 41 -2.008 19.134 -9.834 1.00 0.00 C ATOM 1457 O ARG 2 41 -2.081 20.233 -10.382 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.298 17.188 -10.711 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.183 15.713 -11.104 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.193 15.356 -12.196 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.624 15.654 -13.529 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -2.784 14.843 -14.185 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -2.409 13.679 -13.636 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.317 15.195 -15.392 1.00 0.00 N ATOM 0 H ARG 2 41 -1.292 16.074 -9.762 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.619 18.099 -11.687 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.776 17.272 -9.735 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.936 17.709 -11.424 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.173 15.505 -11.456 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.351 15.086 -10.229 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.453 14.300 -12.131 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.114 15.921 -12.050 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.888 16.532 -13.976 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -2.763 13.410 -12.718 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -1.769 13.062 -14.136 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.602 16.081 -15.811 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -1.677 14.577 -15.891 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.998 18.949 -8.523 1.00 0.00 N ATOM 1479 CA ILE 2 42 -2.073 20.076 -7.608 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.824 20.094 -6.724 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.687 19.272 -5.819 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.383 20.037 -6.818 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.508 19.419 -7.651 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.752 21.429 -6.300 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.879 19.846 -7.125 1.00 0.00 C ATOM 0 H ILE 2 42 -1.939 18.036 -8.072 1.00 0.00 H new ATOM 0 HA ILE 2 42 -2.087 21.015 -8.161 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.238 19.397 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.403 19.723 -8.692 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.428 18.332 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.687 21.374 -5.742 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.960 21.796 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.872 22.111 -7.142 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.660 19.393 -7.735 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.990 19.519 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.965 20.932 -7.173 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.079 21.066 -7.026 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.313 21.202 -6.270 1.00 0.00 C ATOM 1499 C PRO 2 43 1.048 21.826 -4.899 1.00 0.00 C ATOM 1500 O PRO 2 43 1.962 21.957 -4.086 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.217 22.055 -7.146 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.302 22.747 -8.142 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.050 22.056 -8.091 1.00 0.00 C ATOM 0 HA PRO 2 43 1.782 20.243 -6.051 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.765 22.783 -6.548 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.957 21.440 -7.658 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.200 23.804 -7.896 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.721 22.693 -9.147 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.849 22.766 -7.877 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.289 21.584 -9.044 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.206 22.194 -4.683 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.602 22.801 -3.424 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.124 21.745 -2.446 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.428 22.056 -1.296 1.00 0.00 O ATOM 0 H GLY 2 44 -0.962 22.083 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.249 23.321 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.374 23.549 -3.604 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.213 20.520 -2.941 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.693 19.417 -2.127 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.624 18.324 -2.074 1.00 0.00 C ATOM 1521 O VAL 2 45 0.472 18.497 -2.605 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.035 18.914 -2.664 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.851 20.063 -3.261 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.831 17.797 -3.689 1.00 0.00 C ATOM 0 H VAL 2 45 -0.961 20.267 -3.896 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.871 19.748 -1.104 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.598 18.502 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.800 19.679 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.041 20.812 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.294 20.517 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.800 17.457 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.239 18.173 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.308 16.964 -3.220 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.989 17.194 -1.411 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.073 16.073 -1.282 1.00 0.00 C ATOM 1536 C PRO 2 46 0.042 15.305 -2.600 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.951 14.793 -3.114 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.639 15.231 -0.151 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.091 15.657 -0.001 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.279 16.954 -0.770 1.00 0.00 C ATOM 0 HA PRO 2 46 0.946 16.386 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.566 14.168 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.086 15.396 0.774 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.757 14.885 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.341 15.797 1.051 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.077 16.865 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.549 17.774 -0.104 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.264 15.247 -3.110 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.522 14.550 -4.358 1.00 0.00 C ATOM 1550 C TRP 2 47 1.990 13.133 -4.020 1.00 0.00 C ATOM 1551 O TRP 2 47 2.753 12.531 -4.773 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.524 15.321 -5.220 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.793 16.748 -4.736 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.015 17.829 -4.885 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.956 17.207 -4.016 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.590 18.946 -4.315 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.807 18.556 -3.769 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.096 16.505 -3.587 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.761 19.320 -3.086 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.040 17.282 -2.905 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.905 18.642 -2.649 1.00 0.00 C ATOM 0 H TRP 2 47 2.086 15.672 -2.681 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.614 14.483 -4.957 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.466 14.772 -5.243 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.153 15.360 -6.244 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.059 17.826 -5.388 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.194 19.886 -4.298 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.233 15.449 -3.769 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.622 20.376 -2.906 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.935 16.791 -2.553 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.679 19.173 -2.115 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.511 12.641 -2.886 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.871 11.306 -2.440 1.00 0.00 C ATOM 1574 C CYS 2 48 0.908 10.897 -1.323 1.00 0.00 C ATOM 1575 O CYS 2 48 1.001 11.397 -0.204 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.331 11.235 -1.987 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.012 9.542 -1.851 1.00 0.00 S ATOM 0 H CYS 2 48 0.877 13.143 -2.264 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.782 10.606 -3.271 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.942 11.802 -2.689 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.420 11.726 -1.018 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.003 9.992 -1.668 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.976 9.510 -0.710 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.318 8.041 -0.967 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.654 7.375 -1.758 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.238 10.355 -0.897 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.418 10.899 -2.315 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.575 11.856 -2.789 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.421 10.426 -3.102 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.743 12.360 -4.105 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.588 10.930 -4.419 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.746 11.887 -4.894 1.00 0.00 C ATOM 0 H PHE 2 49 -0.072 9.580 -2.598 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.578 9.591 0.301 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.108 9.752 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.209 11.192 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.778 12.232 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.091 9.667 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.074 13.120 -4.481 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.384 10.553 -5.044 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.873 12.271 -5.895 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.354 7.580 -0.282 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.792 6.202 -0.425 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.257 6.181 -0.868 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.137 5.800 -0.097 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.528 5.419 0.862 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.021 6.342 1.971 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.509 6.555 1.860 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.215 5.228 1.623 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.362 4.163 2.474 1.00 0.00 N ATOM 0 H LYS 2 50 -2.903 8.136 0.374 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.216 5.698 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.444 4.925 1.186 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.794 4.636 0.672 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.532 7.303 1.911 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.261 5.913 2.944 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.294 7.242 1.042 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.135 7.019 2.773 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.135 4.946 0.573 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 1.277 5.342 1.843 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.379 3.475 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.746 4.584 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.124 3.680 1.957 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.479 6.604 -2.141 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.821 6.638 -2.695 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.307 5.229 -3.043 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.798 4.507 -2.179 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.724 7.550 -3.908 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.247 7.620 -4.259 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.461 7.063 -3.082 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.558 7.017 -1.987 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.305 7.155 -4.741 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.120 8.541 -3.685 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.042 7.045 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.951 8.649 -4.463 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.810 6.245 -3.392 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.823 7.826 -2.635 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.149 4.881 -4.312 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.564 3.572 -4.786 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.350 2.642 -4.830 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.243 1.796 -5.718 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.295 3.692 -6.124 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.466 3.383 -7.372 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.145 3.927 -8.630 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -5.035 3.902 -7.222 1.00 0.00 C ATOM 0 H LEU 2 52 -5.739 5.483 -5.026 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.282 3.128 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.154 3.021 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.684 4.706 -6.213 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.405 2.300 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.535 3.694 -9.503 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -8.127 3.468 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.257 5.008 -8.544 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -4.467 3.669 -8.123 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -5.053 4.982 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -4.563 3.425 -6.363 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.465 2.829 -3.862 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.264 2.017 -3.780 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.609 0.537 -3.954 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.748 -0.268 -4.306 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.530 2.257 -2.458 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.046 3.704 -2.354 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.090 4.046 -3.500 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.212 5.064 -4.161 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.135 3.142 -3.695 1.00 0.00 N ATOM 0 H GLN 2 53 -4.556 3.531 -3.128 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.595 2.311 -4.589 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.194 2.031 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.680 1.579 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.901 4.380 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.543 3.855 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.091 2.311 -3.105 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.554 3.279 -4.435 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.871 0.223 -3.700 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.340 -1.146 -3.825 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.641 -1.843 -4.993 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.461 -3.060 -4.977 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.860 -1.191 -3.991 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.270 -0.786 -5.409 1.00 0.00 C ATOM 1680 CD GLU 2 54 -7.532 -2.019 -6.277 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.552 -2.691 -6.014 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -6.707 -2.259 -7.184 1.00 0.00 O ATOM 0 H GLU 2 54 -5.583 0.893 -3.408 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.091 -1.680 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.223 -2.196 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.328 -0.522 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.167 -0.167 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.484 -0.180 -5.860 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.263 -1.042 -5.978 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.587 -1.567 -7.152 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.750 -2.784 -6.752 1.00 0.00 C ATOM 1692 O ALA 2 55 -2.967 -3.884 -7.256 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.742 -0.463 -7.791 1.00 0.00 C ATOM 0 H ALA 2 55 -4.412 -0.033 -5.987 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.312 -1.896 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.235 -0.857 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.387 0.365 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.001 -0.110 -7.073 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.811 -2.544 -5.849 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.940 -3.606 -5.375 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.678 -3.449 -3.876 1.00 0.00 C ATOM 1702 O GLU 2 56 0.231 -4.074 -3.332 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.373 -3.632 -6.162 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.514 -4.935 -6.950 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.931 -5.089 -7.505 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 2.831 -4.414 -6.958 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 2.084 -5.877 -8.463 1.00 0.00 O ATOM 0 H GLU 2 56 -1.634 -1.630 -5.433 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.442 -4.560 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.408 -2.784 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.214 -3.524 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.278 -5.782 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.205 -4.948 -7.769 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.489 -2.609 -3.251 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.356 -2.361 -1.825 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.210 -3.387 -1.078 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.698 -4.142 -0.252 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.742 -0.925 -1.462 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.429 0.033 -0.620 1.00 0.00 S ATOM 0 H CYS 2 57 -2.241 -2.091 -3.706 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.313 -2.473 -1.529 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.028 -0.399 -2.373 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.622 -0.952 -0.819 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.497 -3.383 -1.394 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.425 -4.304 -0.763 1.00 0.00 C ATOM 1726 C THR 2 58 -4.180 -5.732 -1.256 1.00 0.00 C ATOM 1727 O THR 2 58 -4.159 -6.672 -0.464 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.846 -3.803 -1.033 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.670 -4.652 -0.239 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.300 -4.079 -2.468 1.00 0.00 C ATOM 0 H THR 2 58 -3.918 -2.756 -2.079 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.276 -4.337 0.316 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.898 -2.732 -0.835 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.609 -4.396 -0.353 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.314 -3.704 -2.607 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.629 -3.577 -3.165 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.281 -5.153 -2.655 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.999 -5.848 -2.564 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.756 -7.145 -3.173 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.781 -7.971 -2.332 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.297 -9.011 -2.778 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.132 -6.884 -4.545 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.113 -7.018 -5.712 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.278 -6.316 -5.704 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.822 -7.841 -6.754 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.189 -6.440 -6.786 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.734 -7.966 -7.835 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.898 -7.263 -7.829 1.00 0.00 C ATOM 0 H PHE 2 59 -4.016 -5.066 -3.218 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.690 -7.701 -3.249 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.708 -5.880 -4.554 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.307 -7.580 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.510 -5.664 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.898 -8.399 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.113 -5.881 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -4.503 -8.620 -8.663 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -6.591 -7.358 -8.652 1.00 0.00 H new