USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : 1 23 TYR OH : rot 35:sc= -1.35! USER MOD Single : 1 25 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.31) USER MOD Single : 1 27 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.552 F(o=-2.7!,f=-0.55) USER MOD Single : 1 33 ASN : amide:sc= -0.0514 X(o=-0.051,f=-0.051) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.295 USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 50 LYS NZ :NH3+ -155:sc= 0.189 (180deg=0.0673) USER MOD Single : 1 53 GLN : amide:sc= -11.4! C(o=-11!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -35:sc= -1.3 USER MOD Single : 2 23 TYR OH : rot 34:sc= -1.3! USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.747 F(o=-1.9,f=-0.75) USER MOD Single : 2 33 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.058) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.135 USER MOD Single : 2 40 SER OG : rot 180:sc= -0.0248 USER MOD Single : 2 50 LYS NZ :NH3+ 160:sc= 1.1 (180deg=0.684) USER MOD Single : 2 53 GLN : amide:sc= -14.3! C(o=-14!,f=-22!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -0.154 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.973 -16.317 -2.349 1.00 0.00 N ATOM 229 CA ASP 1 17 0.932 -15.641 -3.102 1.00 0.00 C ATOM 230 C ASP 1 17 1.027 -14.134 -2.858 1.00 0.00 C ATOM 231 O ASP 1 17 0.082 -13.395 -3.134 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.458 -16.104 -2.660 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.582 -15.828 -3.660 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.263 -15.263 -4.729 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.733 -16.188 -3.334 1.00 0.00 O ATOM 0 HA ASP 1 17 1.073 -15.878 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.422 -17.176 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.704 -15.616 -1.717 1.00 0.00 H new ATOM 240 N ARG 1 18 2.176 -13.721 -2.344 1.00 0.00 N ATOM 241 CA ARG 1 18 2.408 -12.316 -2.059 1.00 0.00 C ATOM 242 C ARG 1 18 2.971 -11.610 -3.293 1.00 0.00 C ATOM 243 O ARG 1 18 3.106 -12.219 -4.354 1.00 0.00 O ATOM 244 CB ARG 1 18 3.381 -12.143 -0.892 1.00 0.00 C ATOM 245 CG ARG 1 18 2.935 -12.963 0.321 1.00 0.00 C ATOM 246 CD ARG 1 18 4.136 -13.600 1.024 1.00 0.00 C ATOM 247 NE ARG 1 18 3.742 -14.072 2.370 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.611 -14.401 3.335 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.929 -14.309 3.109 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.163 -14.819 4.526 1.00 0.00 N ATOM 0 H ARG 1 18 2.957 -14.336 -2.117 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.451 -11.871 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.380 -12.454 -1.198 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.444 -11.089 -0.620 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.398 -12.322 1.020 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.240 -13.741 0.003 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.513 -14.434 0.433 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.946 -12.875 1.106 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.746 -14.152 2.576 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.270 -13.989 2.203 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.591 -14.559 3.843 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.160 -14.887 4.698 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.825 -15.069 5.261 1.00 0.00 H new ATOM 264 N VAL 1 19 3.287 -10.336 -3.115 1.00 0.00 N ATOM 265 CA VAL 1 19 3.834 -9.541 -4.202 1.00 0.00 C ATOM 266 C VAL 1 19 5.281 -9.167 -3.876 1.00 0.00 C ATOM 267 O VAL 1 19 5.810 -8.192 -4.410 1.00 0.00 O ATOM 268 CB VAL 1 19 2.945 -8.323 -4.457 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.311 -7.643 -5.779 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.464 -8.708 -4.430 1.00 0.00 C ATOM 0 H VAL 1 19 3.175 -9.834 -2.234 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.848 -10.117 -5.127 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.119 -7.608 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.664 -6.780 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.350 -7.316 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.180 -8.349 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.855 -7.823 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.267 -9.451 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.214 -9.124 -3.454 1.00 0.00 H new ATOM 280 N ASP 1 20 5.882 -9.961 -3.001 1.00 0.00 N ATOM 281 CA ASP 1 20 7.258 -9.725 -2.599 1.00 0.00 C ATOM 282 C ASP 1 20 7.564 -8.229 -2.693 1.00 0.00 C ATOM 283 O ASP 1 20 8.043 -7.754 -3.721 1.00 0.00 O ATOM 284 CB ASP 1 20 8.234 -10.467 -3.513 1.00 0.00 C ATOM 285 CG ASP 1 20 9.614 -9.819 -3.646 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.284 -9.691 -2.599 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.968 -9.467 -4.792 1.00 0.00 O ATOM 0 H ASP 1 20 5.441 -10.768 -2.560 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.377 -10.086 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.360 -11.482 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.790 -10.548 -4.505 1.00 0.00 H new ATOM 292 N CYS 1 21 7.274 -7.528 -1.606 1.00 0.00 N ATOM 293 CA CYS 1 21 7.512 -6.096 -1.554 1.00 0.00 C ATOM 294 C CYS 1 21 8.943 -5.829 -2.027 1.00 0.00 C ATOM 295 O CYS 1 21 9.214 -4.803 -2.648 1.00 0.00 O ATOM 296 CB CYS 1 21 7.258 -5.531 -0.155 1.00 0.00 C ATOM 297 SG CYS 1 21 6.567 -3.836 -0.127 1.00 0.00 S ATOM 0 H CYS 1 21 6.876 -7.926 -0.755 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.811 -5.584 -2.214 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.574 -6.196 0.372 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.196 -5.535 0.399 1.00 0.00 H new ATOM 302 N GLY 1 22 9.819 -6.772 -1.714 1.00 0.00 N ATOM 303 CA GLY 1 22 11.216 -6.651 -2.098 1.00 0.00 C ATOM 304 C GLY 1 22 11.808 -5.328 -1.609 1.00 0.00 C ATOM 305 O GLY 1 22 12.319 -4.541 -2.404 1.00 0.00 O ATOM 0 H GLY 1 22 9.590 -7.622 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.784 -7.483 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.305 -6.714 -3.182 1.00 0.00 H new ATOM 309 N TYR 1 23 11.718 -5.124 -0.303 1.00 0.00 N ATOM 310 CA TYR 1 23 12.238 -3.910 0.302 1.00 0.00 C ATOM 311 C TYR 1 23 13.702 -4.084 0.712 1.00 0.00 C ATOM 312 O TYR 1 23 14.090 -5.142 1.206 1.00 0.00 O ATOM 313 CB TYR 1 23 11.395 -3.669 1.556 1.00 0.00 C ATOM 314 CG TYR 1 23 10.957 -2.216 1.742 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.565 -1.468 0.650 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.953 -1.651 3.002 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.151 -0.099 0.824 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.540 -0.282 3.176 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.160 0.426 2.079 1.00 0.00 C ATOM 320 OH TYR 1 23 9.770 1.718 2.244 1.00 0.00 O ATOM 0 H TYR 1 23 11.293 -5.779 0.353 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.188 -3.079 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.509 -4.302 1.513 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.966 -3.980 2.431 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.569 -1.909 -0.336 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.259 -2.235 3.857 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.841 0.496 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.532 0.172 4.156 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.058 1.929 1.604 1.00 0.00 H new ATOM 330 N PRO 1 24 14.495 -3.003 0.485 1.00 0.00 N ATOM 331 CA PRO 1 24 15.907 -3.027 0.825 1.00 0.00 C ATOM 332 C PRO 1 24 16.110 -2.902 2.337 1.00 0.00 C ATOM 333 O PRO 1 24 17.233 -3.013 2.828 1.00 0.00 O ATOM 334 CB PRO 1 24 16.518 -1.873 0.047 1.00 0.00 C ATOM 335 CG PRO 1 24 15.360 -0.965 -0.332 1.00 0.00 C ATOM 336 CD PRO 1 24 14.069 -1.734 -0.098 1.00 0.00 C ATOM 0 HA PRO 1 24 16.387 -3.969 0.559 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.251 -1.339 0.652 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.039 -2.233 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.376 -0.055 0.268 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.439 -0.661 -1.376 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.402 -1.193 0.574 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.526 -1.889 -1.030 1.00 0.00 H new ATOM 344 N HIS 1 25 15.006 -2.672 3.032 1.00 0.00 N ATOM 345 CA HIS 1 25 15.048 -2.531 4.478 1.00 0.00 C ATOM 346 C HIS 1 25 13.968 -3.410 5.111 1.00 0.00 C ATOM 347 O HIS 1 25 13.345 -3.020 6.097 1.00 0.00 O ATOM 348 CB HIS 1 25 14.930 -1.060 4.883 1.00 0.00 C ATOM 349 CG HIS 1 25 16.090 -0.555 5.708 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.295 0.788 5.969 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.103 -1.227 6.326 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.386 0.908 6.712 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.886 -0.343 6.931 1.00 0.00 N ATOM 0 H HIS 1 25 14.077 -2.580 2.621 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.012 -2.875 4.854 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.846 -0.452 3.983 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.008 -0.922 5.448 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.244 -2.298 6.323 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.806 1.833 7.079 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.723 -0.562 7.471 1.00 0.00 H new ATOM 362 N VAL 1 26 13.777 -4.579 4.518 1.00 0.00 N ATOM 363 CA VAL 1 26 12.782 -5.516 5.011 1.00 0.00 C ATOM 364 C VAL 1 26 13.083 -5.848 6.474 1.00 0.00 C ATOM 365 O VAL 1 26 14.166 -6.334 6.794 1.00 0.00 O ATOM 366 CB VAL 1 26 12.740 -6.754 4.114 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.147 -7.160 3.671 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.030 -7.914 4.813 1.00 0.00 C ATOM 0 H VAL 1 26 14.295 -4.899 3.700 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.787 -5.072 4.976 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.168 -6.500 3.221 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.087 -8.043 3.034 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.604 -6.342 3.115 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.754 -7.385 4.548 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.014 -8.781 4.153 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.561 -8.166 5.731 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.008 -7.623 5.054 1.00 0.00 H new ATOM 378 N THR 1 27 12.105 -5.571 7.323 1.00 0.00 N ATOM 379 CA THR 1 27 12.250 -5.835 8.744 1.00 0.00 C ATOM 380 C THR 1 27 10.887 -5.792 9.437 1.00 0.00 C ATOM 381 O THR 1 27 9.972 -5.110 8.976 1.00 0.00 O ATOM 382 CB THR 1 27 13.252 -4.826 9.312 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.274 -5.638 9.884 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.687 -4.045 10.500 1.00 0.00 C ATOM 0 H THR 1 27 11.208 -5.166 7.054 1.00 0.00 H new ATOM 0 HA THR 1 27 12.638 -6.838 8.922 1.00 0.00 H new ATOM 0 HB THR 1 27 13.550 -4.129 8.529 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.967 -5.065 10.274 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.438 -3.344 10.865 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.800 -3.496 10.185 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.421 -4.738 11.298 1.00 0.00 H new ATOM 392 N PRO 1 28 10.791 -6.548 10.564 1.00 0.00 N ATOM 393 CA PRO 1 28 9.555 -6.601 11.326 1.00 0.00 C ATOM 394 C PRO 1 28 9.348 -5.316 12.128 1.00 0.00 C ATOM 395 O PRO 1 28 9.169 -5.361 13.344 1.00 0.00 O ATOM 396 CB PRO 1 28 9.688 -7.835 12.204 1.00 0.00 C ATOM 397 CG PRO 1 28 11.172 -8.160 12.243 1.00 0.00 C ATOM 398 CD PRO 1 28 11.853 -7.365 11.142 1.00 0.00 C ATOM 0 HA PRO 1 28 8.672 -6.673 10.691 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.303 -7.645 13.206 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.116 -8.668 11.796 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.593 -7.904 13.215 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.333 -9.228 12.098 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.657 -6.746 11.540 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.297 -8.023 10.395 1.00 0.00 H new ATOM 406 N LYS 1 29 9.379 -4.199 11.415 1.00 0.00 N ATOM 407 CA LYS 1 29 9.197 -2.903 12.046 1.00 0.00 C ATOM 408 C LYS 1 29 9.311 -1.805 10.988 1.00 0.00 C ATOM 409 O LYS 1 29 8.753 -0.720 11.149 1.00 0.00 O ATOM 410 CB LYS 1 29 10.171 -2.735 13.215 1.00 0.00 C ATOM 411 CG LYS 1 29 9.948 -1.398 13.926 1.00 0.00 C ATOM 412 CD LYS 1 29 9.963 -1.576 15.445 1.00 0.00 C ATOM 413 CE LYS 1 29 11.015 -0.671 16.092 1.00 0.00 C ATOM 414 NZ LYS 1 29 11.712 -1.385 17.185 1.00 0.00 N ATOM 0 H LYS 1 29 9.527 -4.165 10.406 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.199 -2.826 12.479 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.040 -3.554 13.923 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.196 -2.790 12.850 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.724 -0.691 13.631 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.994 -0.972 13.616 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.979 -1.344 15.852 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.173 -2.617 15.691 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 11.737 -0.349 15.342 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 10.539 0.228 16.483 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 12.422 -0.757 17.613 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 11.022 -1.671 17.909 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 12.183 -2.230 16.803 1.00 0.00 H new ATOM 428 N GLU 1 30 10.038 -2.123 9.926 1.00 0.00 N ATOM 429 CA GLU 1 30 10.233 -1.177 8.841 1.00 0.00 C ATOM 430 C GLU 1 30 9.187 -1.402 7.747 1.00 0.00 C ATOM 431 O GLU 1 30 8.579 -0.451 7.260 1.00 0.00 O ATOM 432 CB GLU 1 30 11.650 -1.277 8.274 1.00 0.00 C ATOM 433 CG GLU 1 30 12.518 -0.113 8.756 1.00 0.00 C ATOM 434 CD GLU 1 30 13.268 -0.482 10.037 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.320 -1.144 9.907 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.773 -0.093 11.117 1.00 0.00 O ATOM 0 H GLU 1 30 10.499 -3.023 9.794 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.106 -0.169 9.236 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.101 -2.222 8.578 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.610 -1.279 7.185 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.232 0.160 7.978 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.893 0.762 8.936 1.00 0.00 H new ATOM 443 N CYS 1 31 9.010 -2.666 7.393 1.00 0.00 N ATOM 444 CA CYS 1 31 8.048 -3.028 6.366 1.00 0.00 C ATOM 445 C CYS 1 31 6.652 -2.641 6.856 1.00 0.00 C ATOM 446 O CYS 1 31 5.955 -1.864 6.205 1.00 0.00 O ATOM 447 CB CYS 1 31 8.136 -4.513 6.007 1.00 0.00 C ATOM 448 SG CYS 1 31 9.350 -4.917 4.698 1.00 0.00 S ATOM 0 H CYS 1 31 9.517 -3.453 7.799 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.272 -2.485 5.448 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.391 -5.075 6.905 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.151 -4.854 5.687 1.00 0.00 H new ATOM 453 N ASN 1 32 6.286 -3.199 8.001 1.00 0.00 N ATOM 454 CA ASN 1 32 4.986 -2.923 8.585 1.00 0.00 C ATOM 455 C ASN 1 32 4.866 -1.422 8.863 1.00 0.00 C ATOM 456 O ASN 1 32 3.795 -0.939 9.229 1.00 0.00 O ATOM 457 CB ASN 1 32 4.810 -3.664 9.913 1.00 0.00 C ATOM 458 CG ASN 1 32 4.027 -4.964 9.714 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.630 -5.840 8.915 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.950 -5.158 10.252 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.868 -3.841 8.539 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.223 -3.256 7.882 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.787 -3.885 10.343 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.287 -3.025 10.624 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.544 -4.441 10.854 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.455 -6.037 10.100 1.00 0.00 H new ATOM 467 N ASN 1 33 5.978 -0.728 8.678 1.00 0.00 N ATOM 468 CA ASN 1 33 6.010 0.707 8.903 1.00 0.00 C ATOM 469 C ASN 1 33 6.054 1.430 7.555 1.00 0.00 C ATOM 470 O ASN 1 33 5.620 2.576 7.448 1.00 0.00 O ATOM 471 CB ASN 1 33 7.255 1.112 9.696 1.00 0.00 C ATOM 472 CG ASN 1 33 7.409 2.634 9.736 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.567 3.356 10.242 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.529 3.078 9.173 1.00 0.00 N ATOM 0 H ASN 1 33 6.864 -1.132 8.375 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.118 0.980 9.466 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.186 0.723 10.712 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.140 0.665 9.243 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.725 4.079 9.147 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.192 2.418 8.767 1.00 0.00 H new ATOM 481 N ARG 1 34 6.581 0.730 6.561 1.00 0.00 N ATOM 482 CA ARG 1 34 6.686 1.291 5.224 1.00 0.00 C ATOM 483 C ARG 1 34 5.405 1.020 4.433 1.00 0.00 C ATOM 484 O ARG 1 34 5.070 1.765 3.514 1.00 0.00 O ATOM 485 CB ARG 1 34 7.878 0.700 4.471 1.00 0.00 C ATOM 486 CG ARG 1 34 7.447 -0.488 3.609 1.00 0.00 C ATOM 487 CD ARG 1 34 7.122 -0.041 2.183 1.00 0.00 C ATOM 488 NE ARG 1 34 5.797 -0.561 1.779 1.00 0.00 N ATOM 489 CZ ARG 1 34 5.453 -0.843 0.515 1.00 0.00 C ATOM 490 NH1 ARG 1 34 6.335 -0.657 -0.477 1.00 0.00 N ATOM 491 NH2 ARG 1 34 4.227 -1.310 0.242 1.00 0.00 N ATOM 0 H ARG 1 34 6.940 -0.220 6.654 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.833 2.366 5.326 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 8.331 1.466 3.841 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.640 0.381 5.182 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.242 -1.234 3.588 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.573 -0.966 4.052 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 7.128 1.047 2.124 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 7.888 -0.402 1.497 1.00 0.00 H new ATOM 0 HE ARG 1 34 5.101 -0.715 2.509 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 7.268 -0.301 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 6.073 -0.872 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 3.555 -1.451 0.997 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 3.966 -1.525 -0.720 1.00 0.00 H new ATOM 505 N GLY 1 35 4.725 -0.051 4.819 1.00 0.00 N ATOM 506 CA GLY 1 35 3.488 -0.430 4.156 1.00 0.00 C ATOM 507 C GLY 1 35 3.560 -1.870 3.643 1.00 0.00 C ATOM 508 O GLY 1 35 2.812 -2.251 2.746 1.00 0.00 O ATOM 0 H GLY 1 35 5.007 -0.667 5.581 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.653 -0.329 4.850 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.295 0.247 3.324 1.00 0.00 H new ATOM 512 N CYS 1 36 4.469 -2.630 4.236 1.00 0.00 N ATOM 513 CA CYS 1 36 4.649 -4.020 3.852 1.00 0.00 C ATOM 514 C CYS 1 36 4.394 -4.895 5.080 1.00 0.00 C ATOM 515 O CYS 1 36 4.253 -4.387 6.191 1.00 0.00 O ATOM 516 CB CYS 1 36 6.036 -4.266 3.254 1.00 0.00 C ATOM 517 SG CYS 1 36 6.354 -3.401 1.672 1.00 0.00 S ATOM 0 H CYS 1 36 5.089 -2.309 4.980 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.936 -4.279 3.069 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.789 -3.957 3.979 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 6.164 -5.337 3.099 1.00 0.00 H new ATOM 522 N CYS 1 37 4.341 -6.197 4.837 1.00 0.00 N ATOM 523 CA CYS 1 37 4.105 -7.148 5.911 1.00 0.00 C ATOM 524 C CYS 1 37 5.318 -8.075 6.007 1.00 0.00 C ATOM 525 O CYS 1 37 5.736 -8.662 5.010 1.00 0.00 O ATOM 526 CB CYS 1 37 2.806 -7.929 5.698 1.00 0.00 C ATOM 527 SG CYS 1 37 2.065 -8.616 7.224 1.00 0.00 S ATOM 0 H CYS 1 37 4.457 -6.615 3.914 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.982 -6.614 6.853 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.078 -7.273 5.221 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 3.000 -8.747 5.005 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.972 -9.253 6.927 1.00 0.00 H new ATOM 532 N PHE 1 38 5.850 -8.177 7.216 1.00 0.00 N ATOM 533 CA PHE 1 38 7.007 -9.022 7.456 1.00 0.00 C ATOM 534 C PHE 1 38 6.581 -10.443 7.826 1.00 0.00 C ATOM 535 O PHE 1 38 5.815 -10.641 8.769 1.00 0.00 O ATOM 536 CB PHE 1 38 7.772 -8.409 8.631 1.00 0.00 C ATOM 537 CG PHE 1 38 9.205 -8.928 8.778 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.172 -8.506 7.921 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.509 -9.810 9.767 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.501 -8.988 8.058 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.838 -10.292 9.904 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.806 -9.871 9.047 1.00 0.00 C ATOM 0 H PHE 1 38 5.501 -7.688 8.040 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.620 -9.078 6.556 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.799 -7.326 8.509 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.226 -8.612 9.552 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.930 -7.805 7.136 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.740 -10.144 10.448 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.270 -8.653 7.377 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 11.080 -10.993 10.689 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.817 -10.237 9.151 1.00 0.00 H new ATOM 552 N ASP 1 39 7.095 -11.399 7.065 1.00 0.00 N ATOM 553 CA ASP 1 39 6.777 -12.797 7.302 1.00 0.00 C ATOM 554 C ASP 1 39 7.652 -13.329 8.438 1.00 0.00 C ATOM 555 O ASP 1 39 7.239 -13.324 9.597 1.00 0.00 O ATOM 556 CB ASP 1 39 7.053 -13.643 6.056 1.00 0.00 C ATOM 557 CG ASP 1 39 6.899 -15.152 6.254 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.579 -15.546 7.396 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.103 -15.878 5.257 1.00 0.00 O ATOM 0 H ASP 1 39 7.729 -11.233 6.284 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.719 -12.864 7.557 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 6.378 -13.325 5.262 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 8.067 -13.438 5.713 1.00 0.00 H new ATOM 564 N SER 1 40 8.842 -13.776 8.066 1.00 0.00 N ATOM 565 CA SER 1 40 9.778 -14.311 9.041 1.00 0.00 C ATOM 566 C SER 1 40 9.527 -15.807 9.242 1.00 0.00 C ATOM 567 O SER 1 40 10.453 -16.561 9.532 1.00 0.00 O ATOM 568 CB SER 1 40 9.667 -13.570 10.375 1.00 0.00 C ATOM 569 OG SER 1 40 10.850 -13.704 11.160 1.00 0.00 O ATOM 0 H SER 1 40 9.180 -13.779 7.104 1.00 0.00 H new ATOM 0 HA SER 1 40 10.789 -14.167 8.659 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.474 -12.514 10.188 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.815 -13.956 10.934 1.00 0.00 H new ATOM 0 HG SER 1 40 10.740 -13.216 12.003 1.00 0.00 H new ATOM 575 N ARG 1 41 8.269 -16.190 9.079 1.00 0.00 N ATOM 576 CA ARG 1 41 7.885 -17.583 9.240 1.00 0.00 C ATOM 577 C ARG 1 41 8.543 -18.442 8.158 1.00 0.00 C ATOM 578 O ARG 1 41 9.007 -19.547 8.436 1.00 0.00 O ATOM 579 CB ARG 1 41 6.366 -17.747 9.158 1.00 0.00 C ATOM 580 CG ARG 1 41 5.654 -16.712 10.030 1.00 0.00 C ATOM 581 CD ARG 1 41 4.409 -17.311 10.687 1.00 0.00 C ATOM 582 NE ARG 1 41 4.791 -18.067 11.901 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.972 -17.511 13.106 1.00 0.00 C ATOM 584 NH1 ARG 1 41 4.806 -16.190 13.266 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.318 -18.275 14.151 1.00 0.00 N ATOM 0 H ARG 1 41 7.503 -15.561 8.837 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.222 -17.910 10.224 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.041 -17.641 8.123 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.087 -18.751 9.478 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.336 -16.348 10.799 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.371 -15.852 9.422 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.708 -16.518 10.948 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.898 -17.969 9.984 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.925 -19.074 11.814 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.542 -15.609 12.470 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 4.944 -15.766 14.183 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.444 -19.280 14.029 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 5.456 -17.852 15.069 1.00 0.00 H new ATOM 599 N ILE 1 42 8.563 -17.903 6.948 1.00 0.00 N ATOM 600 CA ILE 1 42 9.158 -18.606 5.825 1.00 0.00 C ATOM 601 C ILE 1 42 10.291 -17.761 5.240 1.00 0.00 C ATOM 602 O ILE 1 42 10.041 -16.793 4.523 1.00 0.00 O ATOM 603 CB ILE 1 42 8.084 -18.987 4.803 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.725 -19.175 5.480 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.502 -20.222 4.003 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.840 -20.130 4.676 1.00 0.00 C ATOM 0 H ILE 1 42 8.176 -16.987 6.721 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.600 -19.546 6.155 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.980 -18.165 4.095 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.867 -19.566 6.487 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.228 -18.210 5.580 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 7.721 -20.471 3.284 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.431 -20.014 3.472 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.652 -21.062 4.682 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.880 -20.247 5.179 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.680 -19.724 3.677 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.329 -21.101 4.598 1.00 0.00 H new ATOM 618 N PRO 1 43 11.544 -18.169 5.577 1.00 0.00 N ATOM 619 CA PRO 1 43 12.716 -17.459 5.093 1.00 0.00 C ATOM 620 C PRO 1 43 12.975 -17.770 3.618 1.00 0.00 C ATOM 621 O PRO 1 43 13.884 -17.205 3.011 1.00 0.00 O ATOM 622 CB PRO 1 43 13.850 -17.907 6.002 1.00 0.00 C ATOM 623 CG PRO 1 43 13.374 -19.194 6.659 1.00 0.00 C ATOM 624 CD PRO 1 43 11.877 -19.310 6.424 1.00 0.00 C ATOM 0 HA PRO 1 43 12.597 -16.376 5.130 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.764 -18.074 5.433 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.075 -17.147 6.750 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.895 -20.054 6.237 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.593 -19.182 7.727 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.625 -20.252 5.936 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.325 -19.280 7.364 1.00 0.00 H new ATOM 632 N GLY 1 44 12.159 -18.666 3.082 1.00 0.00 N ATOM 633 CA GLY 1 44 12.288 -19.058 1.690 1.00 0.00 C ATOM 634 C GLY 1 44 11.377 -18.214 0.796 1.00 0.00 C ATOM 635 O GLY 1 44 11.416 -18.336 -0.427 1.00 0.00 O ATOM 0 H GLY 1 44 11.406 -19.132 3.588 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.324 -18.944 1.371 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.035 -20.113 1.581 1.00 0.00 H new ATOM 639 N VAL 1 45 10.578 -17.377 1.442 1.00 0.00 N ATOM 640 CA VAL 1 45 9.659 -16.514 0.721 1.00 0.00 C ATOM 641 C VAL 1 45 9.962 -15.054 1.063 1.00 0.00 C ATOM 642 O VAL 1 45 10.926 -14.766 1.771 1.00 0.00 O ATOM 643 CB VAL 1 45 8.214 -16.913 1.032 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.095 -18.423 1.243 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.682 -16.146 2.243 1.00 0.00 C ATOM 0 H VAL 1 45 10.548 -17.279 2.457 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.791 -16.630 -0.355 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.601 -16.646 0.171 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.058 -18.679 1.462 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.414 -18.943 0.340 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.728 -18.725 2.078 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.654 -16.448 2.442 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.300 -16.366 3.113 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.712 -15.076 2.038 1.00 0.00 H new ATOM 655 N PRO 1 46 9.100 -14.148 0.530 1.00 0.00 N ATOM 656 CA PRO 1 46 9.266 -12.724 0.772 1.00 0.00 C ATOM 657 C PRO 1 46 8.832 -12.355 2.192 1.00 0.00 C ATOM 658 O PRO 1 46 7.678 -12.560 2.566 1.00 0.00 O ATOM 659 CB PRO 1 46 8.432 -12.043 -0.300 1.00 0.00 C ATOM 660 CG PRO 1 46 7.464 -13.099 -0.809 1.00 0.00 C ATOM 661 CD PRO 1 46 7.947 -14.452 -0.312 1.00 0.00 C ATOM 0 HA PRO 1 46 10.307 -12.405 0.710 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.896 -11.186 0.108 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.063 -11.670 -1.107 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.455 -12.898 -0.448 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.422 -13.085 -1.898 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.170 -14.967 0.252 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.223 -15.103 -1.142 1.00 0.00 H new ATOM 669 N TRP 1 47 9.780 -11.817 2.944 1.00 0.00 N ATOM 670 CA TRP 1 47 9.511 -11.416 4.315 1.00 0.00 C ATOM 671 C TRP 1 47 9.101 -9.942 4.305 1.00 0.00 C ATOM 672 O TRP 1 47 9.342 -9.221 5.273 1.00 0.00 O ATOM 673 CB TRP 1 47 10.716 -11.695 5.215 1.00 0.00 C ATOM 674 CG TRP 1 47 11.755 -12.629 4.591 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.708 -13.964 4.485 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.008 -12.240 3.988 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.833 -14.461 3.860 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.649 -13.380 3.547 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.580 -10.966 3.819 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.895 -13.361 2.910 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.825 -10.965 3.180 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.484 -12.104 2.732 1.00 0.00 C ATOM 0 H TRP 1 47 10.736 -11.649 2.630 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.693 -12.002 4.734 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.196 -10.749 5.465 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.365 -12.132 6.150 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.892 -14.574 4.844 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.030 -15.442 3.663 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.097 -10.061 4.156 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.376 -14.268 2.574 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.308 -10.012 3.024 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.446 -12.019 2.249 1.00 0.00 H new ATOM 693 N CYS 1 48 8.490 -9.538 3.202 1.00 0.00 N ATOM 694 CA CYS 1 48 8.044 -8.162 3.054 1.00 0.00 C ATOM 695 C CYS 1 48 7.137 -8.081 1.825 1.00 0.00 C ATOM 696 O CYS 1 48 7.619 -8.062 0.693 1.00 0.00 O ATOM 697 CB CYS 1 48 9.224 -7.193 2.958 1.00 0.00 C ATOM 698 SG CYS 1 48 8.770 -5.422 3.032 1.00 0.00 S ATOM 0 H CYS 1 48 8.293 -10.139 2.402 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.483 -7.861 3.939 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.920 -7.409 3.768 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.754 -7.379 2.024 1.00 0.00 H new ATOM 703 N PHE 1 49 5.840 -8.035 2.088 1.00 0.00 N ATOM 704 CA PHE 1 49 4.860 -7.956 1.017 1.00 0.00 C ATOM 705 C PHE 1 49 3.779 -6.923 1.338 1.00 0.00 C ATOM 706 O PHE 1 49 3.912 -6.155 2.290 1.00 0.00 O ATOM 707 CB PHE 1 49 4.212 -9.337 0.901 1.00 0.00 C ATOM 708 CG PHE 1 49 4.289 -10.170 2.182 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.498 -10.547 2.677 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.148 -10.534 2.826 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.570 -11.320 3.866 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.219 -11.307 4.015 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.429 -11.684 4.510 1.00 0.00 C ATOM 0 H PHE 1 49 5.444 -8.051 3.028 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.346 -7.656 0.089 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.165 -9.214 0.622 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.694 -9.887 0.093 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.404 -10.258 2.165 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.187 -10.235 2.433 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.531 -11.619 4.259 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.313 -11.596 4.526 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.483 -12.272 5.414 1.00 0.00 H new ATOM 723 N LYS 1 50 2.733 -6.936 0.525 1.00 0.00 N ATOM 724 CA LYS 1 50 1.629 -6.010 0.710 1.00 0.00 C ATOM 725 C LYS 1 50 0.325 -6.798 0.851 1.00 0.00 C ATOM 726 O LYS 1 50 -0.538 -6.736 -0.023 1.00 0.00 O ATOM 727 CB LYS 1 50 1.604 -4.974 -0.416 1.00 0.00 C ATOM 728 CG LYS 1 50 1.655 -5.653 -1.786 1.00 0.00 C ATOM 729 CD LYS 1 50 2.915 -5.247 -2.553 1.00 0.00 C ATOM 730 CE LYS 1 50 3.092 -3.727 -2.552 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.236 -3.220 -3.934 1.00 0.00 N ATOM 0 H LYS 1 50 2.627 -7.574 -0.264 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.759 -5.442 1.631 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.700 -4.370 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.451 -4.296 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.635 -6.736 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.771 -5.382 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.788 -5.719 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.853 -5.609 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.234 -3.256 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 3.971 -3.458 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.758 -2.321 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.757 -3.915 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.294 -3.068 -4.348 1.00 0.00 H new ATOM 745 N PRO 1 51 0.222 -7.541 1.985 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.962 -8.340 2.250 1.00 0.00 C ATOM 747 C PRO 1 51 -2.135 -7.457 2.680 1.00 0.00 C ATOM 748 O PRO 1 51 -2.821 -6.878 1.840 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.537 -9.328 3.325 1.00 0.00 C ATOM 750 CG PRO 1 51 0.721 -8.746 3.950 1.00 0.00 C ATOM 751 CD PRO 1 51 1.225 -7.638 3.041 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.322 -8.865 1.365 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.321 -9.455 4.071 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.342 -10.311 2.897 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.507 -8.355 4.945 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.481 -9.518 4.067 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.324 -6.696 3.581 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.208 -7.876 2.633 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.330 -7.383 3.989 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.408 -6.580 4.541 1.00 0.00 C ATOM 761 C LEU 1 52 -2.887 -5.175 4.848 1.00 0.00 C ATOM 762 O LEU 1 52 -3.329 -4.540 5.803 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.034 -7.281 5.747 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.586 -6.779 7.121 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -3.952 -7.781 8.218 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.093 -6.446 7.124 1.00 0.00 C ATOM 0 H LEU 1 52 -1.760 -7.866 4.683 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.212 -6.469 3.813 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.117 -7.178 5.680 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.810 -8.346 5.680 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.122 -5.855 7.337 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.622 -7.399 9.184 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.032 -7.924 8.234 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.463 -8.734 8.018 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -1.801 -6.092 8.113 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -1.520 -7.340 6.875 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -1.892 -5.669 6.386 1.00 0.00 H new ATOM 778 N GLN 1 53 -1.953 -4.730 4.018 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.367 -3.413 4.190 1.00 0.00 C ATOM 780 C GLN 1 53 -2.454 -2.338 4.145 1.00 0.00 C ATOM 781 O GLN 1 53 -2.293 -1.262 4.718 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.292 -3.149 3.132 1.00 0.00 C ATOM 783 CG GLN 1 53 0.821 -4.195 3.210 1.00 0.00 C ATOM 784 CD GLN 1 53 1.346 -4.332 4.641 1.00 0.00 C ATOM 785 OE1 GLN 1 53 2.193 -3.579 5.093 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.799 -5.333 5.324 1.00 0.00 N ATOM 0 H GLN 1 53 -1.589 -5.259 3.226 1.00 0.00 H new ATOM 0 HA GLN 1 53 -0.886 -3.376 5.168 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.742 -3.165 2.139 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 0.128 -2.154 3.276 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.445 -5.158 2.863 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.637 -3.913 2.545 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.095 -5.925 4.884 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.084 -5.508 6.288 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.539 -2.667 3.459 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.653 -1.743 3.332 1.00 0.00 C ATOM 797 C GLU 1 54 -4.917 -1.043 4.667 1.00 0.00 C ATOM 798 O GLU 1 54 -5.452 0.065 4.697 1.00 0.00 O ATOM 799 CB GLU 1 54 -5.909 -2.462 2.834 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.203 -3.701 3.682 1.00 0.00 C ATOM 801 CD GLU 1 54 -7.564 -3.581 4.373 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.564 -3.962 3.726 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -7.573 -3.113 5.531 1.00 0.00 O ATOM 0 H GLU 1 54 -3.670 -3.561 2.985 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.389 -0.987 2.592 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.760 -1.782 2.870 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.777 -2.753 1.792 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.188 -4.590 3.051 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -5.421 -3.828 4.430 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.527 -1.717 5.739 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.715 -1.174 7.074 1.00 0.00 C ATOM 812 C ALA 1 55 -4.433 0.330 7.052 1.00 0.00 C ATOM 813 O ALA 1 55 -5.328 1.138 7.289 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.817 -1.921 8.060 1.00 0.00 C ATOM 0 H ALA 1 55 -4.082 -2.634 5.710 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.745 -1.312 7.403 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.958 -1.514 9.061 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.077 -2.980 8.059 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.775 -1.803 7.764 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.182 0.661 6.764 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.769 2.053 6.708 1.00 0.00 C ATOM 822 C GLU 1 56 -1.920 2.304 5.461 1.00 0.00 C ATOM 823 O GLU 1 56 -1.116 3.235 5.429 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.012 2.452 7.977 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.925 2.388 9.203 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.362 3.231 10.349 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.493 4.471 10.260 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -1.812 2.616 11.288 1.00 0.00 O ATOM 0 H GLU 1 56 -2.441 -0.012 6.567 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.662 2.675 6.647 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.159 1.789 8.119 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.616 3.461 7.866 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.920 2.745 8.939 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.033 1.353 9.527 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.128 1.459 4.462 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.391 1.578 3.214 1.00 0.00 C ATOM 837 C CYS 1 57 -2.319 2.195 2.166 1.00 0.00 C ATOM 838 O CYS 1 57 -1.988 3.213 1.560 1.00 0.00 O ATOM 839 CB CYS 1 57 -0.831 0.231 2.758 1.00 0.00 C ATOM 840 SG CYS 1 57 -1.901 -0.693 1.597 1.00 0.00 S ATOM 0 H CYS 1 57 -2.796 0.689 4.491 1.00 0.00 H new ATOM 0 HA CYS 1 57 -0.526 2.226 3.359 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 0.136 0.398 2.284 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -0.653 -0.389 3.637 1.00 0.00 H new ATOM 845 N THR 1 58 -3.464 1.552 1.983 1.00 0.00 N ATOM 846 CA THR 1 58 -4.441 2.025 1.018 1.00 0.00 C ATOM 847 C THR 1 58 -5.442 2.968 1.691 1.00 0.00 C ATOM 848 O THR 1 58 -5.956 3.887 1.058 1.00 0.00 O ATOM 849 CB THR 1 58 -5.098 0.803 0.374 1.00 0.00 C ATOM 850 OG1 THR 1 58 -5.519 1.269 -0.906 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.399 0.400 1.070 1.00 0.00 C ATOM 0 H THR 1 58 -3.736 0.708 2.487 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.968 2.611 0.231 1.00 0.00 H new ATOM 0 HB THR 1 58 -4.402 -0.035 0.395 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -5.809 2.202 -0.835 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -6.823 -0.472 0.572 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.194 0.159 2.113 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.109 1.226 1.021 1.00 0.00 H new ATOM 859 N PHE 1 59 -5.687 2.706 2.966 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.616 3.519 3.732 1.00 0.00 C ATOM 861 C PHE 1 59 -6.540 4.986 3.306 1.00 0.00 C ATOM 862 O PHE 1 59 -7.355 5.803 3.732 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.206 3.406 5.201 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.802 4.490 6.100 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.150 4.582 6.254 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -5.984 5.364 6.746 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.704 5.589 7.087 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -6.537 6.371 7.581 1.00 0.00 C ATOM 869 CZ PHE 1 59 -7.885 6.462 7.734 1.00 0.00 C ATOM 0 H PHE 1 59 -5.258 1.942 3.488 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.636 3.172 3.567 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.509 2.429 5.578 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.119 3.450 5.268 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.800 3.888 5.742 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -4.913 5.292 6.624 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.775 5.662 7.207 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -5.887 7.064 8.094 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -8.306 7.227 8.369 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.860 15.269 -0.290 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.581 14.188 0.362 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.633 13.008 0.584 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.074 11.899 0.877 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.745 13.703 -0.503 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.840 12.946 0.252 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.392 13.543 1.200 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.099 11.786 -0.137 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.967 14.564 1.309 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.194 14.564 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.351 13.056 -1.286 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.346 13.288 0.434 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.332 12.263 0.614 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.876 12.218 2.074 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.327 13.016 2.893 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.119 12.526 -0.283 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.551 12.776 -1.730 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.731 13.905 -2.359 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.991 13.968 -3.814 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.167 14.544 -4.699 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.026 15.111 -4.283 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.483 14.554 -6.002 1.00 0.00 N ATOM 0 H ARG 2 18 -6.983 14.209 0.190 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.775 11.306 0.338 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.567 13.389 0.090 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.442 11.673 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.428 11.863 -2.313 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.610 13.032 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.989 14.856 -1.893 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.669 13.739 -2.178 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.851 13.547 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.785 15.104 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.399 15.549 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.351 14.123 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.855 14.993 -6.676 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.990 11.274 2.354 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.469 11.114 3.701 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.008 11.569 3.736 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.258 11.191 4.635 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.656 9.668 4.166 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.474 9.551 5.680 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.020 9.126 3.734 1.00 0.00 C ATOM 0 H VAL 2 19 -4.620 10.612 1.672 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.021 11.741 4.401 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.887 9.060 3.689 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.612 8.513 5.984 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.471 9.878 5.952 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.209 10.178 6.184 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.128 8.097 4.077 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.809 9.738 4.170 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.096 9.156 2.647 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.648 12.374 2.748 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.291 12.885 2.654 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.320 11.847 3.221 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.010 11.868 4.411 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.131 14.174 3.463 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.283 14.437 3.986 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.198 14.509 3.137 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.416 14.560 5.223 1.00 0.00 O ATOM 0 H ASP 2 20 -3.273 12.686 2.005 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.079 13.089 1.605 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.435 15.016 2.841 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.816 14.141 4.311 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.131 10.964 2.343 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.060 9.920 2.742 1.00 0.00 C ATOM 1173 C CYS 2 21 2.241 10.576 3.459 1.00 0.00 C ATOM 1174 O CYS 2 21 2.819 9.991 4.374 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.514 9.080 1.546 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.596 7.280 1.860 1.00 0.00 S ATOM 0 H CYS 2 21 -0.129 10.950 1.357 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.563 9.228 3.421 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.832 9.259 0.715 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.499 9.425 1.231 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.564 11.783 3.017 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.666 12.526 3.606 1.00 0.00 C ATOM 1183 C GLY 2 22 4.959 11.707 3.573 1.00 0.00 C ATOM 1184 O GLY 2 22 5.592 11.498 4.607 1.00 0.00 O ATOM 0 H GLY 2 22 2.082 12.265 2.258 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.810 13.461 3.064 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.423 12.788 4.636 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.311 11.265 2.375 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.516 10.474 2.193 1.00 0.00 C ATOM 1190 C TYR 2 23 7.728 11.372 1.938 1.00 0.00 C ATOM 1191 O TYR 2 23 7.629 12.365 1.220 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.270 9.607 0.957 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.735 8.157 1.110 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.558 7.499 2.310 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.333 7.509 0.049 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.997 6.135 2.454 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.771 6.146 0.193 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.581 5.525 1.389 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.996 4.237 1.526 1.00 0.00 O ATOM 0 H TYR 2 23 4.783 11.440 1.520 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.724 9.882 3.084 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.204 9.614 0.728 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.782 10.054 0.105 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.090 8.007 3.141 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.472 8.025 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.865 5.608 3.388 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.240 5.627 -0.630 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.386 3.759 2.126 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.874 10.981 2.557 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.104 11.739 2.404 1.00 0.00 C ATOM 1211 C PRO 2 24 10.726 11.502 1.026 1.00 0.00 C ATOM 1212 O PRO 2 24 11.674 12.186 0.644 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.995 11.277 3.546 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.418 9.952 4.015 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.029 9.810 3.415 1.00 0.00 C ATOM 0 HA PRO 2 24 9.944 12.816 2.452 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.026 11.158 3.213 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.003 12.008 4.355 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.056 9.126 3.701 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.369 9.921 5.103 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.937 8.886 2.844 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.264 9.783 4.191 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.167 10.532 0.318 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.656 10.197 -1.008 1.00 0.00 C ATOM 1225 C HIS 2 25 9.513 10.311 -2.020 1.00 0.00 C ATOM 1226 O HIS 2 25 9.512 9.626 -3.041 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.314 8.815 -1.012 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.789 8.838 -0.687 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.291 9.394 0.477 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.863 8.367 -1.383 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.609 9.259 0.470 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.962 8.622 -0.684 1.00 0.00 N ATOM 0 H HIS 2 25 9.380 9.967 0.638 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.430 10.905 -1.303 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.803 8.178 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.175 8.360 -1.993 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.826 7.870 -2.341 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.285 9.594 1.242 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.913 8.382 -0.963 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.567 11.182 -1.700 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.422 11.395 -2.567 1.00 0.00 C ATOM 1243 C VAL 2 26 7.904 11.572 -4.008 1.00 0.00 C ATOM 1244 O VAL 2 26 8.658 12.497 -4.305 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.597 12.581 -2.063 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.504 13.730 -1.618 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.602 13.050 -3.127 1.00 0.00 C ATOM 0 H VAL 2 26 8.571 11.748 -0.852 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.763 10.527 -2.549 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.027 12.247 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.893 14.560 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.154 13.389 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.112 14.060 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.029 13.894 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.144 13.357 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.924 12.234 -3.376 1.00 0.00 H new ATOM 1257 N THR 2 27 7.451 10.669 -4.866 1.00 0.00 N ATOM 1258 CA THR 2 27 7.827 10.714 -6.268 1.00 0.00 C ATOM 1259 C THR 2 27 6.977 9.733 -7.080 1.00 0.00 C ATOM 1260 O THR 2 27 6.476 8.748 -6.541 1.00 0.00 O ATOM 1261 CB THR 2 27 9.329 10.439 -6.364 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.844 11.563 -7.072 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.651 9.249 -7.270 1.00 0.00 C ATOM 0 H THR 2 27 6.827 9.902 -4.616 1.00 0.00 H new ATOM 0 HA THR 2 27 7.633 11.697 -6.698 1.00 0.00 H new ATOM 0 HB THR 2 27 9.727 10.254 -5.366 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.814 11.467 -7.177 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.730 9.098 -7.303 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.171 8.353 -6.878 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.282 9.447 -8.276 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.838 10.046 -8.396 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.058 9.204 -9.287 1.00 0.00 C ATOM 1273 C PRO 2 28 6.818 7.924 -9.636 1.00 0.00 C ATOM 1274 O PRO 2 28 6.960 7.581 -10.809 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.772 10.074 -10.500 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.788 11.205 -10.451 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.418 11.205 -9.068 1.00 0.00 C ATOM 0 HA PRO 2 28 5.129 8.858 -8.833 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.869 9.502 -11.423 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.754 10.462 -10.471 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.550 11.067 -11.218 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.305 12.161 -10.650 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.504 11.126 -9.127 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.194 12.127 -8.531 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.288 7.249 -8.596 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.030 6.014 -8.778 1.00 0.00 C ATOM 1287 C LYS 2 29 8.320 5.392 -7.411 1.00 0.00 C ATOM 1288 O LYS 2 29 8.540 4.186 -7.308 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.283 6.261 -9.620 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.982 4.943 -9.962 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.290 4.859 -11.459 1.00 0.00 C ATOM 1292 CE LYS 2 29 10.978 3.536 -11.803 1.00 0.00 C ATOM 1293 NZ LYS 2 29 10.514 3.037 -13.117 1.00 0.00 N ATOM 0 H LYS 2 29 7.169 7.535 -7.624 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.436 5.291 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.012 6.782 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.969 6.910 -9.076 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.907 4.859 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.349 4.105 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.366 4.952 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.930 5.692 -11.750 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 12.059 3.675 -11.821 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 10.765 2.797 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 10.991 2.139 -13.335 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 9.486 2.885 -13.087 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 10.739 3.736 -13.853 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.310 6.243 -6.395 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.570 5.791 -5.038 1.00 0.00 C ATOM 1309 C GLU 2 30 7.253 5.581 -4.288 1.00 0.00 C ATOM 1310 O GLU 2 30 7.071 4.567 -3.617 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.473 6.779 -4.295 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.906 6.252 -4.208 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.717 6.663 -5.438 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.298 7.769 -5.392 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.738 5.862 -6.398 1.00 0.00 O ATOM 0 H GLU 2 30 8.126 7.242 -6.484 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.094 4.837 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.466 7.741 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.083 6.950 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.385 6.637 -3.307 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.893 5.165 -4.123 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.367 6.556 -4.427 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.072 6.492 -3.772 1.00 0.00 C ATOM 1324 C CYS 2 31 4.312 5.286 -4.328 1.00 0.00 C ATOM 1325 O CYS 2 31 3.888 4.412 -3.574 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.285 7.793 -3.943 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.789 9.148 -2.824 1.00 0.00 S ATOM 0 H CYS 2 31 6.521 7.396 -4.985 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.211 6.369 -2.698 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.392 8.133 -4.973 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.227 7.584 -3.784 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.162 5.279 -5.645 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.459 4.195 -6.312 1.00 0.00 C ATOM 1334 C ASN 2 32 4.226 2.888 -6.097 1.00 0.00 C ATOM 1335 O ASN 2 32 3.757 1.819 -6.484 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.363 4.445 -7.817 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.957 4.904 -8.208 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.380 5.703 -7.316 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.430 4.554 -9.252 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.515 6.006 -6.268 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.455 4.135 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.091 5.201 -8.111 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.615 3.533 -8.358 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.929 3.938 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.490 4.877 -9.482 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.392 3.018 -5.481 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.228 1.861 -5.211 1.00 0.00 C ATOM 1348 C ASN 2 33 6.122 1.495 -3.729 1.00 0.00 C ATOM 1349 O ASN 2 33 6.274 0.331 -3.361 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.697 2.158 -5.521 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.602 1.030 -5.021 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.386 -0.140 -5.292 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.624 1.445 -4.280 1.00 0.00 N ATOM 0 H ASN 2 33 5.777 3.907 -5.161 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.885 1.042 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.827 2.284 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.988 3.098 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.286 0.769 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.746 2.440 -4.091 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.863 2.510 -2.919 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.735 2.311 -1.486 1.00 0.00 C ATOM 1362 C ARG 2 34 4.294 1.935 -1.129 1.00 0.00 C ATOM 1363 O ARG 2 34 4.058 1.219 -0.157 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.131 3.571 -0.716 1.00 0.00 C ATOM 1365 CG ARG 2 34 4.939 4.518 -0.564 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.097 4.149 0.658 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.259 5.173 1.714 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.720 5.082 2.938 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 2.982 4.014 3.268 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 3.920 6.060 3.832 1.00 0.00 N ATOM 0 H ARG 2 34 5.738 3.474 -3.228 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.407 1.501 -1.203 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.509 3.296 0.269 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.941 4.081 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.295 5.544 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.321 4.477 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 3.047 4.069 0.376 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.400 3.173 1.037 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.816 6.000 1.497 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 2.830 3.269 2.588 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.572 3.945 4.200 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.482 6.873 3.581 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 3.510 5.991 4.763 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.369 2.436 -1.934 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.960 2.162 -1.716 1.00 0.00 C ATOM 1386 C GLY 2 35 1.155 3.461 -1.632 1.00 0.00 C ATOM 1387 O GLY 2 35 0.083 3.494 -1.029 1.00 0.00 O ATOM 0 H GLY 2 35 3.568 3.030 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.576 1.544 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.835 1.592 -0.795 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.703 4.500 -2.247 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.050 5.797 -2.249 1.00 0.00 C ATOM 1393 C CYS 2 36 0.801 6.206 -3.703 1.00 0.00 C ATOM 1394 O CYS 2 36 1.317 5.578 -4.625 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.871 6.845 -1.495 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.141 6.479 0.277 1.00 0.00 S ATOM 0 H CYS 2 36 2.592 4.469 -2.747 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.098 5.729 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.841 6.946 -1.982 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.369 7.809 -1.580 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.007 7.255 -3.861 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.317 7.756 -5.186 1.00 0.00 C ATOM 1403 C CYS 2 37 0.280 9.157 -5.331 1.00 0.00 C ATOM 1404 O CYS 2 37 0.071 10.015 -4.475 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.826 7.748 -5.439 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.308 7.667 -7.202 1.00 0.00 S ATOM 0 H CYS 2 37 -0.422 7.772 -3.093 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.115 7.100 -5.942 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.263 6.896 -4.918 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.259 8.647 -5.000 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.604 7.663 -7.298 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.011 9.344 -6.419 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.640 10.627 -6.688 1.00 0.00 C ATOM 1413 C PHE 2 38 0.751 11.497 -7.579 1.00 0.00 C ATOM 1414 O PHE 2 38 0.440 11.121 -8.707 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.950 10.337 -7.421 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.874 11.551 -7.545 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.663 11.915 -6.498 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.906 12.264 -8.703 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.520 13.041 -6.615 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.764 13.391 -8.818 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.553 13.755 -7.772 1.00 0.00 C ATOM 0 H PHE 2 38 1.182 8.629 -7.126 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.807 11.163 -5.754 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.480 9.542 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.721 9.963 -8.419 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.637 11.348 -5.579 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.280 11.974 -9.534 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.146 13.331 -5.784 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.789 13.959 -9.736 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.206 14.611 -7.860 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.369 12.645 -7.039 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.477 13.572 -7.771 1.00 0.00 C ATOM 1433 C ASP 2 39 0.386 14.392 -8.732 1.00 0.00 C ATOM 1434 O ASP 2 39 0.490 14.064 -9.913 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.182 14.543 -6.821 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.398 15.951 -7.380 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.248 16.076 -8.287 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.709 16.869 -6.887 1.00 0.00 O ATOM 0 H ASP 2 39 0.630 12.954 -6.103 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.224 12.992 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.151 14.123 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.599 14.618 -5.903 1.00 0.00 H new ATOM 1443 N SER 2 40 0.983 15.443 -8.190 1.00 0.00 N ATOM 1444 CA SER 2 40 1.833 16.314 -8.984 1.00 0.00 C ATOM 1445 C SER 2 40 0.986 17.380 -9.680 1.00 0.00 C ATOM 1446 O SER 2 40 1.490 18.444 -10.036 1.00 0.00 O ATOM 1447 CB SER 2 40 2.631 15.512 -10.015 1.00 0.00 C ATOM 1448 OG SER 2 40 3.921 16.072 -10.246 1.00 0.00 O ATOM 0 H SER 2 40 0.895 15.711 -7.210 1.00 0.00 H new ATOM 0 HA SER 2 40 2.542 16.803 -8.316 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.739 14.484 -9.670 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.078 15.477 -10.954 1.00 0.00 H new ATOM 0 HG SER 2 40 4.399 15.530 -10.908 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.288 17.058 -9.854 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.210 17.976 -10.501 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.392 19.234 -9.650 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.418 20.345 -10.177 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.574 17.319 -10.725 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.415 15.860 -11.158 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.425 15.499 -12.248 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.794 15.612 -13.582 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -1.761 14.862 -13.990 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -1.238 13.940 -13.171 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -1.252 15.034 -15.217 1.00 0.00 N ATOM 0 H ARG 2 41 -0.703 16.174 -9.558 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.785 18.246 -11.468 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.160 17.368 -9.807 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.126 17.870 -11.486 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.402 15.694 -11.526 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.553 15.205 -10.298 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.790 14.484 -12.095 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.289 16.161 -12.188 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.169 16.304 -14.231 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -1.626 13.809 -12.237 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -0.452 13.369 -13.482 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -1.651 15.736 -15.841 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -0.466 14.463 -15.528 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.512 19.018 -8.349 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.689 20.121 -7.420 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.542 20.121 -6.409 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.495 19.275 -5.518 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.076 20.061 -6.776 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.118 19.540 -7.767 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.469 21.419 -6.192 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.534 19.918 -7.325 1.00 0.00 C ATOM 0 H ILE 2 42 -1.490 18.095 -7.916 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.648 21.074 -7.948 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.038 19.354 -5.947 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.921 19.951 -8.757 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.036 18.456 -7.850 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.459 21.348 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.744 21.712 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.485 22.166 -6.986 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.255 19.535 -8.047 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.737 19.485 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.620 21.003 -7.267 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.380 21.105 -6.585 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.525 21.226 -5.699 1.00 0.00 C ATOM 1499 C PRO 2 43 1.111 21.809 -4.346 1.00 0.00 C ATOM 1500 O PRO 2 43 1.936 21.931 -3.441 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.512 22.107 -6.449 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.702 22.824 -7.517 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.357 22.125 -7.631 1.00 0.00 C ATOM 0 HA PRO 2 43 1.975 20.263 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.989 22.820 -5.776 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.307 21.510 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.566 23.873 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.226 22.802 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.466 22.824 -7.485 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.225 21.679 -8.617 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.164 22.154 -4.251 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.697 22.721 -3.024 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.296 21.632 -2.132 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.699 21.903 -1.002 1.00 0.00 O ATOM 0 H GLY 2 44 -0.844 22.052 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.095 23.242 -2.486 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.461 23.461 -3.263 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.335 20.423 -2.673 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.877 19.292 -1.940 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.804 18.210 -1.812 1.00 0.00 C ATOM 1521 O VAL 2 45 0.336 18.410 -2.227 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.153 18.791 -2.621 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.935 19.951 -3.243 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.833 17.721 -3.667 1.00 0.00 C ATOM 0 H VAL 2 45 -1.000 20.202 -3.611 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.158 19.591 -0.930 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.783 18.334 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.837 19.567 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.211 20.663 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.315 20.450 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.757 17.382 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.174 18.141 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.340 16.877 -3.185 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.217 17.057 -1.221 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.303 15.943 -1.033 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.049 15.214 -2.354 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.975 14.681 -2.962 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.967 15.062 0.012 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.432 15.468 0.031 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.561 16.785 -0.717 1.00 0.00 C ATOM 0 HA PRO 2 46 0.684 16.261 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.857 14.007 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.510 15.205 0.991 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.047 14.700 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.785 15.575 1.057 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.282 16.709 -1.531 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.906 17.582 -0.059 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.213 15.216 -2.759 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.602 14.561 -3.997 1.00 0.00 C ATOM 1550 C TRP 2 47 1.998 13.120 -3.667 1.00 0.00 C ATOM 1551 O TRP 2 47 2.809 12.520 -4.368 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.715 15.339 -4.703 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.926 16.753 -4.157 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.171 17.839 -4.366 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.002 17.191 -3.300 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.679 18.942 -3.707 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.827 18.535 -3.039 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.086 16.476 -2.762 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.698 19.280 -2.235 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.947 17.234 -1.960 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.786 18.587 -1.688 1.00 0.00 C ATOM 0 H TRP 2 47 1.979 15.660 -2.252 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.769 14.541 -4.700 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.648 14.782 -4.612 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.483 15.402 -5.766 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.278 17.851 -4.973 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.284 19.882 -3.710 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.242 15.424 -2.952 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.540 20.332 -2.047 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.797 16.732 -1.522 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.496 19.102 -1.058 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.405 12.608 -2.598 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.685 11.250 -2.166 1.00 0.00 C ATOM 1574 C CYS 2 48 0.656 10.862 -1.102 1.00 0.00 C ATOM 1575 O CYS 2 48 0.740 11.309 0.040 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.119 11.104 -1.652 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.646 9.382 -1.324 1.00 0.00 S ATOM 0 H CYS 2 48 0.732 13.110 -2.019 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.602 10.572 -3.015 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.798 11.544 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.221 11.681 -0.733 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.293 10.034 -1.515 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.336 9.581 -0.612 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.672 8.108 -0.857 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.949 7.413 -1.569 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.576 10.429 -0.901 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.647 10.960 -2.334 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.727 11.863 -2.770 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.628 10.531 -3.171 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.792 12.356 -4.101 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.694 11.025 -4.502 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.774 11.927 -4.938 1.00 0.00 C ATOM 0 H PHE 2 49 -0.361 9.665 -2.464 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.004 9.683 0.421 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.466 9.832 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.596 11.272 -0.211 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.948 12.205 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.358 9.814 -2.825 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.061 13.072 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.474 10.684 -5.167 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.823 12.303 -5.949 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.768 7.676 -0.252 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.208 6.299 -0.394 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.651 6.278 -0.901 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.565 5.902 -0.168 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.006 5.533 0.915 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.482 6.357 2.112 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.296 6.903 2.909 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.418 5.765 3.435 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.476 5.706 4.913 1.00 0.00 N ATOM 0 H LYS 2 50 -3.365 8.256 0.338 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.601 5.781 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.553 4.591 0.877 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.952 5.285 1.036 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.103 7.183 1.765 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.105 5.739 2.758 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.702 7.563 2.277 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.659 7.502 3.744 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.751 4.816 3.014 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.388 5.913 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -1.173 4.765 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.845 6.429 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.451 5.883 5.229 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.816 6.699 -2.185 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.133 6.732 -2.798 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.604 5.323 -3.162 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.167 4.618 -2.326 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.979 7.639 -4.008 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.488 7.704 -4.293 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.756 7.150 -3.081 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.902 7.113 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.523 7.243 -4.865 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.382 8.632 -3.806 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.244 7.125 -5.184 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.181 8.732 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.095 6.329 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.136 7.913 -2.609 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.356 4.955 -4.411 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.748 3.642 -4.896 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.538 2.707 -4.857 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.332 1.916 -5.776 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.397 3.754 -6.277 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.446 3.661 -7.473 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.626 2.335 -8.215 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.617 4.865 -8.402 1.00 0.00 C ATOM 0 H LEU 2 52 -5.889 5.543 -5.101 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.508 3.206 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.145 2.967 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.927 4.705 -6.332 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.422 3.684 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.939 2.295 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.417 1.507 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.651 2.257 -8.577 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.930 4.775 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.642 4.897 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.401 5.782 -7.853 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.771 2.828 -3.784 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.587 2.002 -3.614 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.956 0.520 -3.707 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.087 -0.328 -3.904 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.889 2.312 -2.289 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.446 3.776 -2.231 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.466 4.097 -3.360 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.509 5.151 -3.974 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.581 3.134 -3.598 1.00 0.00 N ATOM 0 H GLN 2 53 -4.946 3.485 -3.024 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.888 2.233 -4.418 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.564 2.100 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.023 1.661 -2.169 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.317 4.427 -2.305 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.977 3.980 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.600 2.276 -3.047 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.117 3.253 -4.332 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.245 0.253 -3.561 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.739 -1.111 -3.626 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.127 -1.841 -4.824 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.049 -3.068 -4.833 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.267 -1.139 -3.689 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.879 -0.714 -2.353 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.229 -1.398 -2.125 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.851 -1.777 -3.141 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.607 -1.528 -0.941 1.00 0.00 O ATOM 0 H GLU 2 54 -5.963 0.959 -3.398 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.437 -1.630 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.614 -0.474 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.606 -2.143 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.198 -0.966 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -8.008 0.368 -2.336 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.709 -1.054 -5.805 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.107 -1.610 -7.005 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.225 -2.800 -6.623 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.562 -3.947 -6.916 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.327 -0.516 -7.737 1.00 0.00 C ATOM 0 H ALA 2 55 -4.775 -0.036 -5.793 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.875 -1.975 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.875 -0.932 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.005 0.292 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.545 -0.128 -7.084 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.112 -2.487 -5.975 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.179 -3.517 -5.551 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.753 -3.281 -4.100 1.00 0.00 C ATOM 1702 O GLU 2 56 0.340 -3.681 -3.697 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.037 -3.571 -6.478 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.254 -4.988 -7.014 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.187 -4.977 -8.227 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 2.397 -4.751 -8.011 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.667 -5.196 -9.344 1.00 0.00 O ATOM 0 H GLU 2 56 -1.836 -1.535 -5.734 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.682 -4.482 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.104 -2.881 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.925 -3.242 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.677 -5.616 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.704 -5.427 -7.292 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.635 -2.632 -3.356 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.363 -2.338 -1.959 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.174 -3.308 -1.097 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.607 -4.154 -0.407 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.671 -0.878 -1.618 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.816 -0.242 -0.129 1.00 0.00 S ATOM 0 H CYS 2 57 -2.539 -2.301 -3.694 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.301 -2.474 -1.756 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.399 -0.255 -2.470 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.746 -0.772 -1.476 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.488 -3.153 -1.165 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.383 -4.004 -0.399 1.00 0.00 C ATOM 1726 C THR 2 58 -4.197 -5.469 -0.800 1.00 0.00 C ATOM 1727 O THR 2 58 -4.242 -6.360 0.048 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.810 -3.495 -0.603 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.607 -4.360 0.203 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.321 -3.735 -2.025 1.00 0.00 C ATOM 0 H THR 2 58 -3.955 -2.451 -1.739 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.157 -3.959 0.666 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.849 -2.429 -0.379 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.549 -4.099 0.130 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.339 -3.355 -2.115 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.676 -3.218 -2.735 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.313 -4.804 -2.239 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.994 -5.674 -2.093 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.801 -7.016 -2.617 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.788 -7.794 -1.774 1.00 0.00 C ATOM 1741 O PHE 2 59 -1.581 -7.647 -1.958 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.258 -6.867 -4.039 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.279 -7.185 -5.133 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.420 -8.461 -5.583 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -5.049 -6.192 -5.655 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.368 -8.757 -6.597 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.997 -6.488 -6.669 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.137 -7.763 -7.119 1.00 0.00 C ATOM 0 H PHE 2 59 -3.959 -4.933 -2.794 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.744 -7.562 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.901 -5.846 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.397 -7.524 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -3.810 -9.250 -5.168 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -4.939 -5.179 -5.298 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.479 -9.770 -6.954 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -6.608 -5.699 -7.083 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -6.858 -7.987 -7.891 1.00 0.00 H new