USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 23 TYR OH : rot 45:sc= -1.34 USER MOD Set 1.2: 2 23 TYR OH : rot 30:sc= -1.41! USER MOD Single : 1 25 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) 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= -0.167 F(o=-2.5,f=-0.17) USER MOD Single : 1 33 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.1!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.243 USER MOD Single : 1 40 SER OG : rot 92:sc= 0.403 USER MOD Single : 1 50 LYS NZ :NH3+ -150:sc= -0.343 (180deg=-1.4) USER MOD Single : 1 53 GLN : amide:sc= -12.4! C(o=-12!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -120:sc= -1.21 USER MOD Single : 2 25 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.019) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0617 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.159 F(o=-1.5,f=-0.16) USER MOD Single : 2 33 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.14) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0519 USER MOD Single : 2 40 SER OG : rot 119:sc= 0.131 USER MOD Single : 2 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 53 GLN : amide:sc= -15.7! C(o=-16!,f=-24!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -0.959 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 3.020 -15.791 -2.864 1.00 0.00 N ATOM 229 CA ASP 1 17 1.973 -15.086 -3.585 1.00 0.00 C ATOM 230 C ASP 1 17 2.008 -13.604 -3.206 1.00 0.00 C ATOM 231 O ASP 1 17 1.065 -12.866 -3.487 1.00 0.00 O ATOM 232 CB ASP 1 17 0.591 -15.633 -3.223 1.00 0.00 C ATOM 233 CG ASP 1 17 -0.535 -15.229 -4.177 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.205 -14.623 -5.219 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.700 -15.533 -3.841 1.00 0.00 O ATOM 0 HA ASP 1 17 2.147 -15.223 -4.652 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.645 -16.721 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.335 -15.295 -2.219 1.00 0.00 H new ATOM 240 N ARG 1 18 3.106 -13.213 -2.575 1.00 0.00 N ATOM 241 CA ARG 1 18 3.276 -11.833 -2.155 1.00 0.00 C ATOM 242 C ARG 1 18 3.993 -11.031 -3.243 1.00 0.00 C ATOM 243 O ARG 1 18 4.440 -11.595 -4.241 1.00 0.00 O ATOM 244 CB ARG 1 18 4.079 -11.748 -0.856 1.00 0.00 C ATOM 245 CG ARG 1 18 3.546 -12.736 0.184 1.00 0.00 C ATOM 246 CD ARG 1 18 4.689 -13.328 1.012 1.00 0.00 C ATOM 247 NE ARG 1 18 4.141 -14.081 2.163 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.873 -14.493 3.208 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.186 -14.229 3.251 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.292 -15.170 4.207 1.00 0.00 N ATOM 0 H ARG 1 18 3.886 -13.828 -2.345 1.00 0.00 H new ATOM 0 HA ARG 1 18 2.284 -11.414 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 5.129 -11.959 -1.059 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 4.029 -10.734 -0.459 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.839 -12.231 0.842 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 3.001 -13.537 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.296 -13.987 0.391 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.344 -12.531 1.366 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.145 -14.300 2.161 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.628 -13.715 2.489 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.743 -14.542 4.046 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.293 -15.372 4.173 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.849 -15.484 5.002 1.00 0.00 H new ATOM 264 N VAL 1 19 4.081 -9.729 -3.014 1.00 0.00 N ATOM 265 CA VAL 1 19 4.736 -8.845 -3.962 1.00 0.00 C ATOM 266 C VAL 1 19 6.142 -8.513 -3.456 1.00 0.00 C ATOM 267 O VAL 1 19 6.756 -7.549 -3.911 1.00 0.00 O ATOM 268 CB VAL 1 19 3.877 -7.602 -4.200 1.00 0.00 C ATOM 269 CG1 VAL 1 19 4.398 -6.793 -5.389 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.407 -7.982 -4.397 1.00 0.00 C ATOM 0 H VAL 1 19 3.709 -9.265 -2.185 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.846 -9.337 -4.929 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.945 -6.973 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.769 -5.915 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 5.422 -6.477 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 4.375 -7.410 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.817 -7.081 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 2.314 -8.642 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 2.041 -8.495 -3.507 1.00 0.00 H new ATOM 280 N ASP 1 20 6.607 -9.329 -2.523 1.00 0.00 N ATOM 281 CA ASP 1 20 7.929 -9.133 -1.950 1.00 0.00 C ATOM 282 C ASP 1 20 8.231 -7.635 -1.877 1.00 0.00 C ATOM 283 O ASP 1 20 8.853 -7.079 -2.781 1.00 0.00 O ATOM 284 CB ASP 1 20 9.007 -9.791 -2.814 1.00 0.00 C ATOM 285 CG ASP 1 20 10.394 -9.155 -2.713 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.953 -9.185 -1.596 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.865 -8.652 -3.756 1.00 0.00 O ATOM 0 H ASP 1 20 6.093 -10.127 -2.149 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.937 -9.584 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 9.084 -10.842 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.685 -9.761 -3.855 1.00 0.00 H new ATOM 292 N CYS 1 21 7.778 -7.024 -0.792 1.00 0.00 N ATOM 293 CA CYS 1 21 7.992 -5.601 -0.590 1.00 0.00 C ATOM 294 C CYS 1 21 9.458 -5.289 -0.892 1.00 0.00 C ATOM 295 O CYS 1 21 9.767 -4.254 -1.482 1.00 0.00 O ATOM 296 CB CYS 1 21 7.594 -5.165 0.822 1.00 0.00 C ATOM 297 SG CYS 1 21 7.151 -3.398 0.983 1.00 0.00 S ATOM 0 H CYS 1 21 7.264 -7.488 -0.044 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.354 -5.034 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.747 -5.769 1.148 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.420 -5.381 1.500 1.00 0.00 H new ATOM 302 N GLY 1 22 10.322 -6.201 -0.474 1.00 0.00 N ATOM 303 CA GLY 1 22 11.750 -6.035 -0.693 1.00 0.00 C ATOM 304 C GLY 1 22 12.180 -4.590 -0.435 1.00 0.00 C ATOM 305 O GLY 1 22 12.680 -3.917 -1.336 1.00 0.00 O ATOM 0 H GLY 1 22 10.062 -7.057 0.015 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.303 -6.706 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 12.000 -6.315 -1.716 1.00 0.00 H new ATOM 309 N TYR 1 23 11.970 -4.156 0.798 1.00 0.00 N ATOM 310 CA TYR 1 23 12.330 -2.802 1.186 1.00 0.00 C ATOM 311 C TYR 1 23 13.749 -2.754 1.756 1.00 0.00 C ATOM 312 O TYR 1 23 14.242 -3.747 2.289 1.00 0.00 O ATOM 313 CB TYR 1 23 11.340 -2.399 2.282 1.00 0.00 C ATOM 314 CG TYR 1 23 10.196 -1.510 1.790 1.00 0.00 C ATOM 315 CD1 TYR 1 23 9.563 -1.797 0.597 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.798 -0.421 2.538 1.00 0.00 C ATOM 317 CE1 TYR 1 23 8.486 -0.959 0.134 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.721 0.415 2.076 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.119 0.105 0.895 1.00 0.00 C ATOM 320 OH TYR 1 23 7.102 0.896 0.459 1.00 0.00 O ATOM 0 H TYR 1 23 11.555 -4.717 1.542 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.295 -2.135 0.325 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.920 -3.301 2.728 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.880 -1.875 3.071 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 9.875 -2.649 0.011 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.295 -0.196 3.470 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 7.982 -1.172 -0.797 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 8.398 1.269 2.653 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.365 0.335 0.139 1.00 0.00 H new ATOM 330 N PRO 1 24 14.382 -1.558 1.621 1.00 0.00 N ATOM 331 CA PRO 1 24 15.735 -1.367 2.116 1.00 0.00 C ATOM 332 C PRO 1 24 15.748 -1.242 3.641 1.00 0.00 C ATOM 333 O PRO 1 24 16.813 -1.160 4.252 1.00 0.00 O ATOM 334 CB PRO 1 24 16.239 -0.118 1.413 1.00 0.00 C ATOM 335 CG PRO 1 24 15.001 0.605 0.909 1.00 0.00 C ATOM 336 CD PRO 1 24 13.830 -0.360 0.996 1.00 0.00 C ATOM 0 HA PRO 1 24 16.384 -2.216 1.903 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.808 0.512 2.097 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.904 -0.375 0.588 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.808 1.495 1.509 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.145 0.938 -0.119 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.017 0.057 1.590 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.424 -0.580 0.009 1.00 0.00 H new ATOM 344 N HIS 1 25 14.552 -1.231 4.213 1.00 0.00 N ATOM 345 CA HIS 1 25 14.413 -1.116 5.654 1.00 0.00 C ATOM 346 C HIS 1 25 13.330 -2.079 6.143 1.00 0.00 C ATOM 347 O HIS 1 25 12.463 -1.698 6.926 1.00 0.00 O ATOM 348 CB HIS 1 25 14.143 0.334 6.060 1.00 0.00 C ATOM 349 CG HIS 1 25 15.393 1.155 6.274 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.773 1.633 7.516 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.345 1.576 5.392 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.902 2.311 7.376 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.255 2.274 6.058 1.00 0.00 N ATOM 0 H HIS 1 25 13.671 -1.300 3.704 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.348 -1.399 6.137 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.536 0.809 5.289 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.555 0.340 6.978 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.356 1.375 4.331 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.447 2.806 8.166 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.082 2.711 5.652 1.00 0.00 H new ATOM 362 N VAL 1 26 13.417 -3.310 5.660 1.00 0.00 N ATOM 363 CA VAL 1 26 12.454 -4.331 6.038 1.00 0.00 C ATOM 364 C VAL 1 26 12.726 -4.774 7.477 1.00 0.00 C ATOM 365 O VAL 1 26 13.852 -5.134 7.817 1.00 0.00 O ATOM 366 CB VAL 1 26 12.500 -5.489 5.038 1.00 0.00 C ATOM 367 CG1 VAL 1 26 13.942 -5.825 4.654 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.779 -6.720 5.591 1.00 0.00 C ATOM 0 H VAL 1 26 14.139 -3.623 5.011 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.441 -3.931 6.006 1.00 0.00 H new ATOM 0 HB VAL 1 26 11.978 -5.172 4.135 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 13.946 -6.651 3.943 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.410 -4.952 4.199 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.499 -6.112 5.546 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.826 -7.528 4.861 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.260 -7.038 6.516 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.736 -6.472 5.790 1.00 0.00 H new ATOM 378 N THR 1 27 11.676 -4.732 8.284 1.00 0.00 N ATOM 379 CA THR 1 27 11.787 -5.125 9.679 1.00 0.00 C ATOM 380 C THR 1 27 10.401 -5.389 10.270 1.00 0.00 C ATOM 381 O THR 1 27 9.404 -4.856 9.786 1.00 0.00 O ATOM 382 CB THR 1 27 12.566 -4.034 10.416 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.703 -4.712 10.941 1.00 0.00 O ATOM 384 CG2 THR 1 27 11.829 -3.525 11.657 1.00 0.00 C ATOM 0 H THR 1 27 10.744 -4.432 7.999 1.00 0.00 H new ATOM 0 HA THR 1 27 12.334 -6.062 9.785 1.00 0.00 H new ATOM 0 HB THR 1 27 12.753 -3.201 9.738 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.264 -4.077 11.433 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.425 -2.752 12.143 1.00 0.00 H new ATOM 0 HG22 THR 1 27 10.866 -3.109 11.363 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.671 -4.351 12.351 1.00 0.00 H new ATOM 392 N PRO 1 28 10.384 -6.232 11.337 1.00 0.00 N ATOM 393 CA PRO 1 28 9.136 -6.574 12.000 1.00 0.00 C ATOM 394 C PRO 1 28 8.640 -5.413 12.866 1.00 0.00 C ATOM 395 O PRO 1 28 8.363 -5.591 14.050 1.00 0.00 O ATOM 396 CB PRO 1 28 9.448 -7.823 12.806 1.00 0.00 C ATOM 397 CG PRO 1 28 10.963 -7.870 12.935 1.00 0.00 C ATOM 398 CD PRO 1 28 11.545 -6.882 11.937 1.00 0.00 C ATOM 0 HA PRO 1 28 8.324 -6.762 11.297 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.974 -7.783 13.787 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.071 -8.715 12.305 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.268 -7.613 13.949 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.332 -8.876 12.736 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.194 -6.158 12.430 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.148 -7.389 11.184 1.00 0.00 H new ATOM 406 N LYS 1 29 8.544 -4.249 12.240 1.00 0.00 N ATOM 407 CA LYS 1 29 8.087 -3.060 12.938 1.00 0.00 C ATOM 408 C LYS 1 29 8.144 -1.862 11.986 1.00 0.00 C ATOM 409 O LYS 1 29 7.458 -0.863 12.200 1.00 0.00 O ATOM 410 CB LYS 1 29 8.881 -2.858 14.230 1.00 0.00 C ATOM 411 CG LYS 1 29 7.989 -2.298 15.340 1.00 0.00 C ATOM 412 CD LYS 1 29 7.926 -3.259 16.529 1.00 0.00 C ATOM 413 CE LYS 1 29 6.491 -3.410 17.037 1.00 0.00 C ATOM 414 NZ LYS 1 29 6.303 -2.651 18.294 1.00 0.00 N ATOM 0 H LYS 1 29 8.775 -4.104 11.257 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.048 -3.174 13.246 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.311 -3.807 14.549 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 9.712 -2.176 14.048 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 8.373 -1.332 15.668 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 6.985 -2.126 14.953 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.316 -4.233 16.234 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.563 -2.891 17.333 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 5.792 -3.052 16.281 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 6.267 -4.464 17.205 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 5.324 -2.764 18.625 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 6.957 -3.011 19.018 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 6.496 -1.643 18.123 1.00 0.00 H new ATOM 428 N GLU 1 30 8.968 -2.002 10.959 1.00 0.00 N ATOM 429 CA GLU 1 30 9.123 -0.944 9.975 1.00 0.00 C ATOM 430 C GLU 1 30 8.232 -1.214 8.761 1.00 0.00 C ATOM 431 O GLU 1 30 7.534 -0.318 8.288 1.00 0.00 O ATOM 432 CB GLU 1 30 10.587 -0.794 9.558 1.00 0.00 C ATOM 433 CG GLU 1 30 11.220 0.436 10.211 1.00 0.00 C ATOM 434 CD GLU 1 30 11.263 0.288 11.733 1.00 0.00 C ATOM 435 OE1 GLU 1 30 10.247 0.647 12.367 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.311 -0.181 12.228 1.00 0.00 O ATOM 0 H GLU 1 30 9.536 -2.832 10.786 1.00 0.00 H new ATOM 0 HA GLU 1 30 8.810 -0.003 10.429 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.143 -1.687 9.842 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.653 -0.709 8.473 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.230 0.576 9.827 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 10.651 1.327 9.945 1.00 0.00 H new ATOM 443 N CYS 1 31 8.285 -2.451 8.291 1.00 0.00 N ATOM 444 CA CYS 1 31 7.490 -2.850 7.141 1.00 0.00 C ATOM 445 C CYS 1 31 6.023 -2.534 7.438 1.00 0.00 C ATOM 446 O CYS 1 31 5.359 -1.857 6.655 1.00 0.00 O ATOM 447 CB CYS 1 31 7.699 -4.324 6.793 1.00 0.00 C ATOM 448 SG CYS 1 31 9.163 -4.668 5.751 1.00 0.00 S ATOM 0 H CYS 1 31 8.866 -3.191 8.685 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.810 -2.290 6.262 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.788 -4.892 7.719 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.811 -4.691 6.279 1.00 0.00 H new ATOM 453 N ASN 1 32 5.560 -3.042 8.571 1.00 0.00 N ATOM 454 CA ASN 1 32 4.183 -2.825 8.981 1.00 0.00 C ATOM 455 C ASN 1 32 3.964 -1.333 9.242 1.00 0.00 C ATOM 456 O ASN 1 32 2.838 -0.901 9.484 1.00 0.00 O ATOM 457 CB ASN 1 32 3.866 -3.582 10.273 1.00 0.00 C ATOM 458 CG ASN 1 32 3.114 -4.880 9.976 1.00 0.00 C ATOM 459 OD1 ASN 1 32 3.767 -5.711 9.167 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.014 -5.113 10.450 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.114 -3.603 9.218 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.533 -3.185 8.184 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 4.791 -3.807 10.804 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.266 -2.952 10.930 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.569 -4.431 11.064 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.540 -5.989 10.232 1.00 0.00 H new ATOM 467 N ASN 1 33 5.058 -0.587 9.185 1.00 0.00 N ATOM 468 CA ASN 1 33 4.999 0.847 9.411 1.00 0.00 C ATOM 469 C ASN 1 33 5.043 1.574 8.065 1.00 0.00 C ATOM 470 O ASN 1 33 4.493 2.666 7.928 1.00 0.00 O ATOM 471 CB ASN 1 33 6.190 1.322 10.245 1.00 0.00 C ATOM 472 CG ASN 1 33 5.845 2.596 11.018 1.00 0.00 C ATOM 473 OD1 ASN 1 33 4.699 3.001 11.118 1.00 0.00 O ATOM 474 ND2 ASN 1 33 6.898 3.203 11.559 1.00 0.00 N ATOM 0 H ASN 1 33 5.990 -0.949 8.986 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.074 1.067 9.945 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.486 0.538 10.942 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.044 1.508 9.593 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 6.772 4.061 12.096 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 7.831 2.810 11.437 1.00 0.00 H new ATOM 481 N ARG 1 34 5.703 0.939 7.107 1.00 0.00 N ATOM 482 CA ARG 1 34 5.826 1.512 5.778 1.00 0.00 C ATOM 483 C ARG 1 34 4.573 1.213 4.953 1.00 0.00 C ATOM 484 O ARG 1 34 4.220 1.976 4.054 1.00 0.00 O ATOM 485 CB ARG 1 34 7.052 0.956 5.050 1.00 0.00 C ATOM 486 CG ARG 1 34 8.220 0.757 6.018 1.00 0.00 C ATOM 487 CD ARG 1 34 9.531 1.256 5.406 1.00 0.00 C ATOM 488 NE ARG 1 34 10.046 2.406 6.182 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.018 3.224 5.757 1.00 0.00 C ATOM 490 NH1 ARG 1 34 11.585 3.024 4.559 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.423 4.242 6.529 1.00 0.00 N ATOM 0 H ARG 1 34 6.158 0.034 7.225 1.00 0.00 H new ATOM 0 HA ARG 1 34 5.942 2.590 5.891 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.800 0.006 4.578 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.347 1.639 4.253 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.022 1.291 6.947 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.311 -0.299 6.271 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.268 0.453 5.399 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.369 1.550 4.369 1.00 0.00 H new ATOM 0 HE ARG 1 34 9.635 2.587 7.098 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.276 2.249 3.972 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 12.325 3.646 4.235 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 10.991 4.394 7.440 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 12.163 4.865 6.205 1.00 0.00 H new ATOM 505 N GLY 1 35 3.933 0.102 5.288 1.00 0.00 N ATOM 506 CA GLY 1 35 2.727 -0.307 4.589 1.00 0.00 C ATOM 507 C GLY 1 35 2.879 -1.715 4.011 1.00 0.00 C ATOM 508 O GLY 1 35 2.239 -2.054 3.016 1.00 0.00 O ATOM 0 H GLY 1 35 4.227 -0.528 6.035 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 1.879 -0.281 5.273 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.511 0.398 3.786 1.00 0.00 H new ATOM 512 N CYS 1 36 3.729 -2.498 4.659 1.00 0.00 N ATOM 513 CA CYS 1 36 3.973 -3.862 4.221 1.00 0.00 C ATOM 514 C CYS 1 36 3.576 -4.809 5.356 1.00 0.00 C ATOM 515 O CYS 1 36 3.100 -4.366 6.400 1.00 0.00 O ATOM 516 CB CYS 1 36 5.427 -4.067 3.791 1.00 0.00 C ATOM 517 SG CYS 1 36 5.961 -3.033 2.378 1.00 0.00 S ATOM 0 H CYS 1 36 4.257 -2.214 5.484 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.368 -4.077 3.340 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.076 -3.858 4.642 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.570 -5.116 3.531 1.00 0.00 H new ATOM 522 N CYS 1 37 3.785 -6.094 5.112 1.00 0.00 N ATOM 523 CA CYS 1 37 3.456 -7.107 6.100 1.00 0.00 C ATOM 524 C CYS 1 37 4.688 -7.988 6.315 1.00 0.00 C ATOM 525 O CYS 1 37 5.185 -8.605 5.376 1.00 0.00 O ATOM 526 CB CYS 1 37 2.233 -7.927 5.683 1.00 0.00 C ATOM 527 SG CYS 1 37 1.415 -8.833 7.045 1.00 0.00 S ATOM 0 H CYS 1 37 4.178 -6.457 4.244 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.186 -6.627 7.041 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.506 -7.259 5.222 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.537 -8.644 4.920 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.394 -9.489 6.578 1.00 0.00 H new ATOM 532 N PHE 1 38 5.144 -8.018 7.559 1.00 0.00 N ATOM 533 CA PHE 1 38 6.308 -8.813 7.910 1.00 0.00 C ATOM 534 C PHE 1 38 5.906 -10.241 8.281 1.00 0.00 C ATOM 535 O PHE 1 38 5.091 -10.448 9.179 1.00 0.00 O ATOM 536 CB PHE 1 38 6.956 -8.147 9.125 1.00 0.00 C ATOM 537 CG PHE 1 38 8.353 -8.675 9.455 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.447 -8.116 8.873 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.501 -9.706 10.330 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.743 -8.606 9.178 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.798 -10.197 10.636 1.00 0.00 C ATOM 542 CZ PHE 1 38 10.891 -9.637 10.054 1.00 0.00 C ATOM 0 H PHE 1 38 4.728 -7.504 8.336 1.00 0.00 H new ATOM 0 HA PHE 1 38 6.991 -8.865 7.062 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.018 -7.073 8.948 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.311 -8.290 9.992 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.329 -7.298 8.178 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.632 -10.151 10.792 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.612 -8.161 8.715 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 9.916 -11.015 11.331 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.877 -10.010 10.287 1.00 0.00 H new ATOM 552 N ASP 1 39 6.493 -11.192 7.569 1.00 0.00 N ATOM 553 CA ASP 1 39 6.206 -12.595 7.812 1.00 0.00 C ATOM 554 C ASP 1 39 7.206 -13.147 8.830 1.00 0.00 C ATOM 555 O ASP 1 39 6.896 -13.256 10.015 1.00 0.00 O ATOM 556 CB ASP 1 39 6.337 -13.415 6.526 1.00 0.00 C ATOM 557 CG ASP 1 39 6.200 -14.928 6.708 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.080 -15.359 7.055 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.219 -15.620 6.496 1.00 0.00 O ATOM 0 H ASP 1 39 7.167 -11.018 6.823 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.185 -12.671 8.185 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.578 -13.079 5.820 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.307 -13.205 6.076 1.00 0.00 H new ATOM 564 N SER 1 40 8.387 -13.483 8.329 1.00 0.00 N ATOM 565 CA SER 1 40 9.434 -14.021 9.180 1.00 0.00 C ATOM 566 C SER 1 40 9.263 -15.534 9.327 1.00 0.00 C ATOM 567 O SER 1 40 10.172 -16.225 9.787 1.00 0.00 O ATOM 568 CB SER 1 40 9.427 -13.351 10.555 1.00 0.00 C ATOM 569 OG SER 1 40 10.742 -13.035 11.002 1.00 0.00 O ATOM 0 H SER 1 40 8.641 -13.393 7.345 1.00 0.00 H new ATOM 0 HA SER 1 40 10.395 -13.814 8.710 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.830 -12.440 10.511 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.948 -14.011 11.278 1.00 0.00 H new ATOM 0 HG SER 1 40 10.969 -12.121 10.731 1.00 0.00 H new ATOM 575 N ARG 1 41 8.091 -16.007 8.928 1.00 0.00 N ATOM 576 CA ARG 1 41 7.788 -17.425 9.010 1.00 0.00 C ATOM 577 C ARG 1 41 8.700 -18.218 8.071 1.00 0.00 C ATOM 578 O ARG 1 41 9.220 -19.267 8.445 1.00 0.00 O ATOM 579 CB ARG 1 41 6.328 -17.700 8.644 1.00 0.00 C ATOM 580 CG ARG 1 41 5.378 -16.975 9.598 1.00 0.00 C ATOM 581 CD ARG 1 41 4.143 -17.827 9.896 1.00 0.00 C ATOM 582 NE ARG 1 41 4.321 -18.545 11.178 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.325 -19.142 11.849 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.076 -19.110 11.365 1.00 0.00 N ATOM 585 NH2 ARG 1 41 3.579 -19.770 13.005 1.00 0.00 N ATOM 0 H ARG 1 41 7.340 -15.432 8.547 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.957 -17.740 10.040 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.139 -17.376 7.621 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.136 -18.772 8.679 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.898 -16.744 10.528 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.072 -16.025 9.159 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.257 -17.194 9.944 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.980 -18.541 9.089 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.259 -18.588 11.576 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 1.882 -18.631 10.485 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.319 -19.564 11.876 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.529 -19.794 13.374 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 2.822 -20.224 13.516 1.00 0.00 H new ATOM 599 N ILE 1 42 8.866 -17.684 6.869 1.00 0.00 N ATOM 600 CA ILE 1 42 9.705 -18.328 5.874 1.00 0.00 C ATOM 601 C ILE 1 42 10.814 -17.364 5.447 1.00 0.00 C ATOM 602 O ILE 1 42 10.546 -16.350 4.804 1.00 0.00 O ATOM 603 CB ILE 1 42 8.856 -18.844 4.710 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.463 -19.255 5.187 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.569 -19.980 3.974 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.754 -20.112 4.138 1.00 0.00 C ATOM 0 H ILE 1 42 8.433 -16.813 6.563 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.192 -19.207 6.297 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.724 -18.031 3.996 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.544 -19.811 6.121 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.869 -18.365 5.396 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.945 -20.329 3.151 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.519 -19.619 3.580 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.752 -20.803 4.665 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.765 -20.390 4.503 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.653 -19.545 3.213 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.338 -21.013 3.949 1.00 0.00 H new ATOM 618 N PRO 1 43 12.068 -17.721 5.832 1.00 0.00 N ATOM 619 CA PRO 1 43 13.217 -16.900 5.497 1.00 0.00 C ATOM 620 C PRO 1 43 13.590 -17.055 4.022 1.00 0.00 C ATOM 621 O PRO 1 43 14.494 -16.379 3.531 1.00 0.00 O ATOM 622 CB PRO 1 43 14.319 -17.360 6.438 1.00 0.00 C ATOM 623 CG PRO 1 43 13.891 -18.728 6.943 1.00 0.00 C ATOM 624 CD PRO 1 43 12.422 -18.915 6.596 1.00 0.00 C ATOM 0 HA PRO 1 43 13.022 -15.835 5.623 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.276 -17.417 5.920 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.445 -16.660 7.264 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.494 -19.511 6.483 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.041 -18.801 8.020 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.265 -19.821 6.011 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.811 -19.006 7.494 1.00 0.00 H new ATOM 632 N GLY 1 44 12.873 -17.947 3.353 1.00 0.00 N ATOM 633 CA GLY 1 44 13.118 -18.198 1.943 1.00 0.00 C ATOM 634 C GLY 1 44 12.155 -17.394 1.068 1.00 0.00 C ATOM 635 O GLY 1 44 12.266 -17.405 -0.156 1.00 0.00 O ATOM 0 H GLY 1 44 12.123 -18.504 3.762 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 14.146 -17.934 1.696 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 13.003 -19.262 1.734 1.00 0.00 H new ATOM 639 N VAL 1 45 11.231 -16.713 1.731 1.00 0.00 N ATOM 640 CA VAL 1 45 10.249 -15.904 1.029 1.00 0.00 C ATOM 641 C VAL 1 45 10.366 -14.452 1.494 1.00 0.00 C ATOM 642 O VAL 1 45 11.236 -14.121 2.298 1.00 0.00 O ATOM 643 CB VAL 1 45 8.849 -16.487 1.234 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.902 -18.011 1.362 1.00 0.00 C ATOM 645 CG2 VAL 1 45 8.165 -15.857 2.449 1.00 0.00 C ATOM 0 H VAL 1 45 11.142 -16.705 2.747 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.438 -15.918 -0.044 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.254 -16.246 0.353 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.894 -18.399 1.507 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 9.328 -18.438 0.454 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.522 -18.283 2.216 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 7.172 -16.289 2.572 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.759 -16.052 3.342 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 8.077 -14.781 2.299 1.00 0.00 H new ATOM 655 N PRO 1 46 9.453 -13.600 0.954 1.00 0.00 N ATOM 656 CA PRO 1 46 9.446 -12.190 1.305 1.00 0.00 C ATOM 657 C PRO 1 46 8.868 -11.977 2.705 1.00 0.00 C ATOM 658 O PRO 1 46 7.692 -12.248 2.944 1.00 0.00 O ATOM 659 CB PRO 1 46 8.626 -11.518 0.216 1.00 0.00 C ATOM 660 CG PRO 1 46 7.820 -12.626 -0.443 1.00 0.00 C ATOM 661 CD PRO 1 46 8.408 -13.956 -0.001 1.00 0.00 C ATOM 0 HA PRO 1 46 10.448 -11.763 1.352 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.970 -10.755 0.636 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.271 -11.021 -0.508 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.771 -12.558 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.859 -12.533 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.651 -14.591 0.459 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.816 -14.509 -0.847 1.00 0.00 H new ATOM 669 N TRP 1 47 9.722 -11.492 3.595 1.00 0.00 N ATOM 670 CA TRP 1 47 9.310 -11.238 4.966 1.00 0.00 C ATOM 671 C TRP 1 47 8.817 -9.793 5.052 1.00 0.00 C ATOM 672 O TRP 1 47 8.910 -9.162 6.103 1.00 0.00 O ATOM 673 CB TRP 1 47 10.447 -11.541 5.943 1.00 0.00 C ATOM 674 CG TRP 1 47 11.649 -12.238 5.304 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.829 -13.550 5.097 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.840 -11.602 4.793 1.00 0.00 C ATOM 677 NE1 TRP 1 47 13.043 -13.805 4.493 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.678 -12.583 4.302 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.198 -10.243 4.747 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.925 -12.309 3.729 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.448 -9.986 4.172 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.303 -10.962 3.673 1.00 0.00 C ATOM 0 H TRP 1 47 10.697 -11.268 3.394 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.494 -11.901 5.253 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.780 -10.608 6.397 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.063 -12.167 6.748 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.114 -14.312 5.369 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.408 -14.722 4.234 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.559 -9.459 5.126 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.562 -13.095 3.350 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.771 -8.957 4.112 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.254 -10.683 3.244 1.00 0.00 H new ATOM 693 N CYS 1 48 8.301 -9.310 3.930 1.00 0.00 N ATOM 694 CA CYS 1 48 7.792 -7.950 3.866 1.00 0.00 C ATOM 695 C CYS 1 48 7.090 -7.763 2.519 1.00 0.00 C ATOM 696 O CYS 1 48 7.745 -7.676 1.482 1.00 0.00 O ATOM 697 CB CYS 1 48 8.902 -6.920 4.079 1.00 0.00 C ATOM 698 SG CYS 1 48 8.342 -5.177 4.081 1.00 0.00 S ATOM 0 H CYS 1 48 8.225 -9.836 3.059 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.077 -7.788 4.673 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.395 -7.129 5.028 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.650 -7.046 3.296 1.00 0.00 H new ATOM 703 N PHE 1 49 5.768 -7.706 2.580 1.00 0.00 N ATOM 704 CA PHE 1 49 4.970 -7.531 1.378 1.00 0.00 C ATOM 705 C PHE 1 49 3.795 -6.586 1.632 1.00 0.00 C ATOM 706 O PHE 1 49 3.746 -5.912 2.660 1.00 0.00 O ATOM 707 CB PHE 1 49 4.428 -8.910 0.996 1.00 0.00 C ATOM 708 CG PHE 1 49 4.287 -9.872 2.178 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.394 -10.309 2.834 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.054 -10.290 2.569 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.263 -11.202 3.930 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.922 -11.183 3.665 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.030 -11.620 4.323 1.00 0.00 C ATOM 0 H PHE 1 49 5.229 -7.778 3.443 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.582 -7.101 0.585 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.454 -8.788 0.522 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.090 -9.357 0.254 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.373 -9.977 2.522 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.175 -9.943 2.046 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.143 -11.549 4.452 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.943 -11.515 3.976 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.930 -12.299 5.157 1.00 0.00 H new ATOM 723 N LYS 1 50 2.875 -6.566 0.679 1.00 0.00 N ATOM 724 CA LYS 1 50 1.703 -5.715 0.787 1.00 0.00 C ATOM 725 C LYS 1 50 0.442 -6.573 0.667 1.00 0.00 C ATOM 726 O LYS 1 50 -0.293 -6.467 -0.314 1.00 0.00 O ATOM 727 CB LYS 1 50 1.772 -4.577 -0.233 1.00 0.00 C ATOM 728 CG LYS 1 50 2.868 -4.833 -1.269 1.00 0.00 C ATOM 729 CD LYS 1 50 4.227 -4.347 -0.761 1.00 0.00 C ATOM 730 CE LYS 1 50 4.135 -2.914 -0.234 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.274 -2.093 -1.115 1.00 0.00 N ATOM 0 H LYS 1 50 2.918 -7.126 -0.172 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.670 -5.234 1.765 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.810 -4.475 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.965 -3.635 0.281 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.919 -5.898 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.620 -4.323 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.581 -5.007 0.031 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.959 -4.395 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.731 -2.918 0.778 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 5.132 -2.476 -0.178 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.593 -1.104 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.334 -2.450 -2.090 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.289 -2.147 -0.786 1.00 0.00 H new ATOM 745 N PRO 1 51 0.226 -7.426 1.703 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.934 -8.302 1.722 1.00 0.00 C ATOM 747 C PRO 1 51 -2.206 -7.520 2.054 1.00 0.00 C ATOM 748 O PRO 1 51 -2.771 -6.852 1.191 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.604 -9.368 2.755 1.00 0.00 C ATOM 750 CG PRO 1 51 0.516 -8.792 3.606 1.00 0.00 C ATOM 751 CD PRO 1 51 1.075 -7.579 2.880 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.135 -8.756 0.752 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.476 -9.604 3.365 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.292 -10.295 2.274 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.141 -8.509 4.590 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.297 -9.536 3.764 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.041 -6.690 3.510 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.117 -7.731 2.599 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.620 -7.631 3.309 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.815 -6.942 3.766 1.00 0.00 C ATOM 761 C LEU 1 52 -3.441 -5.535 4.234 1.00 0.00 C ATOM 762 O LEU 1 52 -4.009 -5.025 5.197 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.537 -7.772 4.830 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.062 -7.574 6.271 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.229 -7.191 7.184 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.319 -8.811 6.778 1.00 0.00 C ATOM 0 H LEU 1 52 -2.149 -8.187 4.022 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.525 -6.827 2.947 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.601 -7.539 4.784 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.430 -8.826 4.575 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.354 -6.745 6.287 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.865 -7.056 8.203 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.676 -6.261 6.832 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.978 -7.983 7.168 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.992 -8.644 7.804 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.984 -9.674 6.745 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.450 -8.998 6.147 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.485 -4.947 3.529 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.028 -3.608 3.859 1.00 0.00 C ATOM 780 C GLN 1 53 -3.187 -2.614 3.768 1.00 0.00 C ATOM 781 O GLN 1 53 -3.132 -1.534 4.356 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.870 -3.184 2.953 1.00 0.00 C ATOM 783 CG GLN 1 53 0.335 -4.109 3.135 1.00 0.00 C ATOM 784 CD GLN 1 53 0.777 -4.153 4.600 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.017 -5.204 5.171 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.869 -2.956 5.172 1.00 0.00 N ATOM 0 H GLN 1 53 -2.015 -5.374 2.731 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.660 -3.614 4.885 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.193 -3.202 1.912 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.583 -2.157 3.180 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.081 -5.114 2.798 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.160 -3.763 2.513 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.653 -2.116 4.635 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.156 -2.878 6.148 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.210 -3.012 3.027 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.381 -2.169 2.851 1.00 0.00 C ATOM 797 C GLU 1 54 -5.867 -1.648 4.205 1.00 0.00 C ATOM 798 O GLU 1 54 -6.572 -0.642 4.270 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.495 -2.923 2.123 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.093 -4.014 3.013 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.574 -3.747 3.289 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.323 -3.627 2.296 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.922 -3.667 4.487 1.00 0.00 O ATOM 0 H GLU 1 54 -4.253 -3.908 2.541 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.101 -1.316 2.233 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.276 -2.224 1.824 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.100 -3.369 1.210 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.979 -4.985 2.531 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.546 -4.060 3.955 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.470 -2.355 5.253 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.856 -1.976 6.601 1.00 0.00 C ATOM 812 C ALA 1 55 -5.687 -0.465 6.770 1.00 0.00 C ATOM 813 O ALA 1 55 -6.664 0.255 6.974 1.00 0.00 O ATOM 814 CB ALA 1 55 -5.029 -2.771 7.613 1.00 0.00 C ATOM 0 H ALA 1 55 -4.885 -3.188 5.195 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.905 -2.213 6.780 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -5.319 -2.486 8.624 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -5.207 -3.837 7.471 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.970 -2.557 7.466 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.440 -0.028 6.679 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.130 1.386 6.818 1.00 0.00 C ATOM 822 C GLU 1 56 -3.430 1.903 5.560 1.00 0.00 C ATOM 823 O GLU 1 56 -2.812 2.965 5.582 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.279 1.639 8.063 1.00 0.00 C ATOM 825 CG GLU 1 56 -4.141 2.135 9.226 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.623 3.472 9.761 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.690 3.428 10.593 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -4.171 4.508 9.327 1.00 0.00 O ATOM 0 H GLU 1 56 -3.632 -0.627 6.511 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.065 1.933 6.939 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.768 0.720 8.351 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.508 2.376 7.837 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -5.174 2.247 8.896 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.140 1.394 10.026 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.549 1.126 4.494 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.935 1.491 3.228 1.00 0.00 C ATOM 837 C CYS 1 57 -4.002 2.146 2.348 1.00 0.00 C ATOM 838 O CYS 1 57 -4.150 3.367 2.350 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.292 0.285 2.542 1.00 0.00 C ATOM 840 SG CYS 1 57 -1.593 0.627 0.886 1.00 0.00 S ATOM 0 H CYS 1 57 -4.062 0.244 4.480 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.126 2.199 3.405 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.499 -0.100 3.183 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.039 -0.504 2.450 1.00 0.00 H new ATOM 845 N THR 1 58 -4.719 1.304 1.617 1.00 0.00 N ATOM 846 CA THR 1 58 -5.767 1.786 0.733 1.00 0.00 C ATOM 847 C THR 1 58 -6.619 2.840 1.443 1.00 0.00 C ATOM 848 O THR 1 58 -7.109 3.775 0.811 1.00 0.00 O ATOM 849 CB THR 1 58 -6.572 0.577 0.252 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.390 1.098 -0.791 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.573 0.085 1.300 1.00 0.00 C ATOM 0 H THR 1 58 -4.595 0.292 1.619 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.350 2.285 -0.141 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.890 -0.233 -0.007 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.334 0.966 -0.563 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.118 -0.774 0.908 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.039 -0.206 2.205 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.276 0.884 1.535 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.770 2.653 2.746 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.556 3.577 3.548 1.00 0.00 C ATOM 861 C PHE 1 59 -7.431 5.006 3.017 1.00 0.00 C ATOM 862 O PHE 1 59 -6.692 5.817 3.572 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.993 3.523 4.970 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.897 4.171 6.021 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -9.025 3.534 6.433 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.572 5.384 6.543 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.864 4.135 7.409 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.410 5.984 7.519 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.539 5.348 7.932 1.00 0.00 C ATOM 0 H PHE 1 59 -6.362 1.876 3.266 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.609 3.297 3.516 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.823 2.482 5.244 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.022 4.019 4.985 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.283 2.571 6.018 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.676 5.891 6.215 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.760 3.629 7.736 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.151 6.947 7.934 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.177 5.805 8.674 1.00 0.00 H new ATOM 1107 N ASP 2 17 -7.824 15.598 0.892 1.00 0.00 N ATOM 1108 CA ASP 2 17 -8.475 14.531 1.633 1.00 0.00 C ATOM 1109 C ASP 2 17 -7.480 13.391 1.858 1.00 0.00 C ATOM 1110 O ASP 2 17 -7.595 12.645 2.829 1.00 0.00 O ATOM 1111 CB ASP 2 17 -9.667 13.970 0.855 1.00 0.00 C ATOM 1112 CG ASP 2 17 -10.643 13.132 1.684 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.214 13.704 2.637 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -10.796 11.938 1.346 1.00 0.00 O ATOM 0 HA ASP 2 17 -8.822 14.942 2.581 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.213 14.801 0.408 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.291 13.358 0.035 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.524 13.294 0.946 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.509 12.258 1.033 1.00 0.00 C ATOM 1121 C ARG 2 18 -4.905 12.224 2.438 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.303 12.997 3.308 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.393 12.492 0.012 1.00 0.00 C ATOM 1124 CG ARG 2 18 -4.965 12.633 -1.401 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.216 13.709 -2.190 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.690 13.731 -3.592 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -3.954 14.157 -4.628 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.706 14.599 -4.426 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.467 14.141 -5.866 1.00 0.00 N ATOM 0 H ARG 2 18 -6.431 13.916 0.143 1.00 0.00 H new ATOM 0 HA ARG 2 18 -5.990 11.304 0.816 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -3.837 13.392 0.275 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -3.688 11.662 0.042 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -4.894 11.679 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.023 12.888 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.372 14.684 -1.729 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.144 13.512 -2.163 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.636 13.401 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.316 14.611 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.146 14.923 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.418 13.805 -6.020 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.907 14.465 -6.654 1.00 0.00 H new ATOM 1143 N VAL 2 19 -3.953 11.319 2.617 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.291 11.175 3.902 1.00 0.00 C ATOM 1145 C VAL 2 19 -1.815 11.552 3.756 1.00 0.00 C ATOM 1146 O VAL 2 19 -0.993 11.196 4.598 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.494 9.755 4.438 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.200 9.689 5.938 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -4.905 9.251 4.132 1.00 0.00 C ATOM 0 H VAL 2 19 -3.625 10.679 1.894 1.00 0.00 H new ATOM 0 HA VAL 2 19 -3.729 11.852 4.635 1.00 0.00 H new ATOM 0 HB VAL 2 19 -2.787 9.099 3.929 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.352 8.670 6.294 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.167 9.987 6.120 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -3.871 10.363 6.470 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.023 8.240 4.523 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.636 9.909 4.601 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.063 9.243 3.053 1.00 0.00 H new ATOM 1159 N ASP 2 20 -1.525 12.269 2.680 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.163 12.700 2.412 1.00 0.00 C ATOM 1161 C ASP 2 20 0.811 11.623 2.892 1.00 0.00 C ATOM 1162 O ASP 2 20 1.239 11.637 4.046 1.00 0.00 O ATOM 1163 CB ASP 2 20 0.161 13.996 3.157 1.00 0.00 C ATOM 1164 CG ASP 2 20 1.631 14.170 3.543 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 2.473 14.086 2.624 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.879 14.383 4.750 1.00 0.00 O ATOM 0 H ASP 2 20 -2.210 12.562 1.983 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.067 12.867 1.339 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.138 14.839 2.535 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -0.444 14.038 4.063 1.00 0.00 H new ATOM 1171 N CYS 2 21 1.133 10.713 1.983 1.00 0.00 N ATOM 1172 CA CYS 2 21 2.049 9.631 2.300 1.00 0.00 C ATOM 1173 C CYS 2 21 3.346 10.240 2.834 1.00 0.00 C ATOM 1174 O CYS 2 21 3.997 9.660 3.702 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.298 8.729 1.089 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.243 6.935 1.445 1.00 0.00 S ATOM 0 H CYS 2 21 0.776 10.703 1.028 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.609 8.990 3.064 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.555 8.957 0.325 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 3.273 8.972 0.667 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.684 11.402 2.295 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.892 12.096 2.706 1.00 0.00 C ATOM 1183 C GLY 2 22 6.123 11.205 2.533 1.00 0.00 C ATOM 1184 O GLY 2 22 6.848 10.947 3.492 1.00 0.00 O ATOM 0 H GLY 2 22 3.141 11.881 1.576 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 5.011 13.005 2.117 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.803 12.401 3.749 1.00 0.00 H new ATOM 1188 N TYR 2 23 6.321 10.758 1.301 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.452 9.900 0.989 1.00 0.00 C ATOM 1190 C TYR 2 23 8.662 10.727 0.548 1.00 0.00 C ATOM 1191 O TYR 2 23 8.517 11.702 -0.187 1.00 0.00 O ATOM 1192 CB TYR 2 23 7.002 9.016 -0.176 1.00 0.00 C ATOM 1193 CG TYR 2 23 7.397 7.545 -0.029 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.340 6.935 1.207 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.812 6.829 -1.134 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.713 5.550 1.345 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 8.185 5.445 -0.996 1.00 0.00 C ATOM 1198 CZ TYR 2 23 8.117 4.874 0.237 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.469 3.567 0.367 1.00 0.00 O ATOM 0 H TYR 2 23 5.718 10.974 0.507 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.747 9.321 1.864 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.918 9.083 -0.272 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.429 9.406 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 7.016 7.496 2.071 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.857 7.307 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.673 5.060 2.307 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.511 4.873 -1.852 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.960 3.162 1.100 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.859 10.296 1.029 1.00 0.00 N ATOM 1210 CA PRO 2 24 11.093 10.984 0.692 1.00 0.00 C ATOM 1211 C PRO 2 24 11.519 10.676 -0.744 1.00 0.00 C ATOM 1212 O PRO 2 24 12.453 11.285 -1.263 1.00 0.00 O ATOM 1213 CB PRO 2 24 12.102 10.512 1.726 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.529 9.232 2.313 1.00 0.00 C ATOM 1215 CD PRO 2 24 10.069 9.144 1.902 1.00 0.00 C ATOM 0 HA PRO 2 24 10.991 12.069 0.721 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 13.075 10.331 1.268 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 12.249 11.265 2.500 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 12.081 8.365 1.950 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.620 9.236 3.399 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.860 8.209 1.381 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 9.411 9.180 2.770 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.813 9.730 -1.347 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.107 9.333 -2.713 1.00 0.00 C ATOM 1225 C HIS 2 25 9.840 9.443 -3.563 1.00 0.00 C ATOM 1226 O HIS 2 25 9.669 8.700 -4.529 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.727 7.935 -2.752 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.238 7.932 -2.750 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.985 7.082 -1.955 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.129 8.684 -3.456 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.269 7.320 -2.180 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.357 8.314 -3.110 1.00 0.00 N ATOM 0 H HIS 2 25 10.038 9.227 -0.914 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.849 10.008 -3.139 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.372 7.367 -1.892 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.374 7.417 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.879 9.450 -4.175 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 16.100 6.815 -1.710 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.223 8.708 -3.479 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.983 10.375 -3.173 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.736 10.592 -3.886 1.00 0.00 C ATOM 1243 C VAL 2 26 8.027 10.727 -5.383 1.00 0.00 C ATOM 1244 O VAL 2 26 8.787 11.603 -5.795 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.006 11.805 -3.308 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.991 12.920 -2.950 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.932 12.310 -4.273 1.00 0.00 C ATOM 0 H VAL 2 26 9.128 10.989 -2.372 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.070 9.738 -3.759 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.510 11.490 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.445 13.770 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.701 12.554 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.530 13.231 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.428 13.173 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.397 12.599 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.205 11.519 -4.454 1.00 0.00 H new ATOM 1257 N THR 2 27 7.407 9.848 -6.155 1.00 0.00 N ATOM 1258 CA THR 2 27 7.590 9.858 -7.597 1.00 0.00 C ATOM 1259 C THR 2 27 6.580 8.926 -8.270 1.00 0.00 C ATOM 1260 O THR 2 27 6.087 7.986 -7.648 1.00 0.00 O ATOM 1261 CB THR 2 27 9.045 9.491 -7.892 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.526 10.580 -8.673 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.168 8.282 -8.821 1.00 0.00 C ATOM 0 H THR 2 27 6.777 9.124 -5.810 1.00 0.00 H new ATOM 0 HA THR 2 27 7.399 10.847 -8.012 1.00 0.00 H new ATOM 0 HB THR 2 27 9.563 9.283 -6.956 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.465 10.425 -8.907 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.221 8.065 -8.998 1.00 0.00 H new ATOM 0 HG22 THR 2 27 8.692 7.418 -8.358 1.00 0.00 H new ATOM 0 HG23 THR 2 27 8.679 8.501 -9.770 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.293 9.227 -9.564 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.352 8.426 -10.329 1.00 0.00 C ATOM 1273 C PRO 2 28 5.974 7.091 -10.739 1.00 0.00 C ATOM 1274 O PRO 2 28 5.926 6.714 -11.910 1.00 0.00 O ATOM 1275 CB PRO 2 28 4.970 9.295 -11.516 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.056 10.353 -11.624 1.00 0.00 C ATOM 1277 CD PRO 2 28 6.858 10.332 -10.333 1.00 0.00 C ATOM 0 HA PRO 2 28 4.468 8.151 -9.753 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 4.909 8.703 -12.429 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 3.992 9.753 -11.366 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 6.702 10.151 -12.478 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 5.615 11.337 -11.784 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 7.919 10.177 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 6.768 11.276 -9.795 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.543 6.411 -9.755 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.174 5.125 -10.000 1.00 0.00 C ATOM 1287 C LYS 2 29 7.629 4.524 -8.669 1.00 0.00 C ATOM 1288 O LYS 2 29 7.797 3.310 -8.557 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.300 5.269 -11.026 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.860 3.900 -11.420 1.00 0.00 C ATOM 1291 CD LYS 2 29 8.977 3.773 -12.941 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.919 2.306 -13.373 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.005 2.143 -14.526 1.00 0.00 N ATOM 0 H LYS 2 29 6.580 6.726 -8.786 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.461 4.427 -10.438 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 7.926 5.782 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.097 5.887 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.839 3.758 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.212 3.113 -11.034 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.171 4.329 -13.419 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.914 4.218 -13.276 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.917 1.959 -13.640 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.579 1.689 -12.541 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.976 1.142 -14.807 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.050 2.455 -14.258 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.346 2.717 -15.323 1.00 0.00 H new ATOM 1307 N GLU 2 30 7.814 5.399 -7.692 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.245 4.969 -6.373 1.00 0.00 C ATOM 1309 C GLU 2 30 7.042 4.846 -5.435 1.00 0.00 C ATOM 1310 O GLU 2 30 6.915 3.861 -4.710 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.293 5.926 -5.799 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.698 5.330 -5.906 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.694 6.364 -6.431 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.508 6.797 -7.589 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.621 6.701 -5.661 1.00 0.00 O ATOM 0 H GLU 2 30 7.673 6.405 -7.788 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.710 3.988 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.255 6.875 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.063 6.139 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.021 4.973 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.681 4.466 -6.571 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.191 5.860 -5.481 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.004 5.878 -4.644 1.00 0.00 C ATOM 1324 C CYS 2 31 4.111 4.704 -5.051 1.00 0.00 C ATOM 1325 O CYS 2 31 3.748 3.877 -4.217 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.266 7.215 -4.737 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.979 8.559 -3.719 1.00 0.00 S ATOM 0 H CYS 2 31 6.300 6.675 -6.085 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.292 5.769 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.254 7.535 -5.779 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.229 7.063 -4.438 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.783 4.669 -6.335 1.00 0.00 N ATOM 1333 CA ASN 2 32 2.940 3.611 -6.863 1.00 0.00 C ATOM 1334 C ASN 2 32 3.663 2.270 -6.722 1.00 0.00 C ATOM 1335 O ASN 2 32 3.095 1.219 -7.015 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.642 3.832 -8.348 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.351 4.635 -8.534 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.300 5.751 -7.814 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 0.462 4.262 -9.281 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.086 5.357 -7.024 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.005 3.615 -6.303 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.474 4.360 -8.815 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.552 2.870 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.567 3.393 -9.805 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 -0.387 4.819 -9.382 1.00 0.00 H new ATOM 1346 N ASN 2 33 4.907 2.350 -6.272 1.00 0.00 N ATOM 1347 CA ASN 2 33 5.714 1.156 -6.088 1.00 0.00 C ATOM 1348 C ASN 2 33 5.797 0.827 -4.596 1.00 0.00 C ATOM 1349 O ASN 2 33 5.927 -0.337 -4.220 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.138 1.368 -6.605 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.054 0.219 -6.179 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.734 -0.949 -6.324 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.206 0.615 -5.645 1.00 0.00 N ATOM 0 H ASN 2 33 5.375 3.223 -6.030 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.246 0.344 -6.644 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.126 1.444 -7.692 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.530 2.311 -6.224 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 9.885 -0.076 -5.327 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.410 1.610 -5.553 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.719 1.872 -3.786 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.784 1.709 -2.345 1.00 0.00 C ATOM 1362 C ARG 2 34 4.393 1.419 -1.779 1.00 0.00 C ATOM 1363 O ARG 2 34 4.260 0.736 -0.766 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.348 2.963 -1.673 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.240 3.981 -1.396 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.500 3.646 -0.098 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.842 4.635 0.949 1.00 0.00 N ATOM 1368 CZ ARG 2 34 4.299 4.649 2.174 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.387 3.728 2.513 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 4.670 5.583 3.060 1.00 0.00 N ATOM 0 H ARG 2 34 5.611 2.836 -4.101 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.447 0.869 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.838 2.690 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.108 3.412 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.669 4.981 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.536 3.993 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 3.424 3.646 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.769 2.644 0.235 1.00 0.00 H new ATOM 0 HE ARG 2 34 5.534 5.350 0.724 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.106 3.016 1.839 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.974 3.739 3.445 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 5.366 6.283 2.802 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 4.257 5.594 3.993 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.390 1.952 -2.461 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.012 1.759 -2.041 1.00 0.00 C ATOM 1386 C GLY 2 35 1.294 3.100 -1.883 1.00 0.00 C ATOM 1387 O GLY 2 35 0.320 3.203 -1.137 1.00 0.00 O ATOM 0 H GLY 2 35 3.504 2.518 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.487 1.146 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.989 1.216 -1.096 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.801 4.095 -2.596 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.219 5.425 -2.546 1.00 0.00 C ATOM 1393 C CYS 2 36 0.786 5.815 -3.960 1.00 0.00 C ATOM 1394 O CYS 2 36 1.136 5.141 -4.928 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.190 6.444 -1.945 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.677 6.110 -0.212 1.00 0.00 S ATOM 0 H CYS 2 36 2.609 4.006 -3.212 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.348 5.419 -1.890 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.089 6.475 -2.561 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.734 7.433 -1.996 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.033 6.903 -4.036 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.450 7.390 -5.316 1.00 0.00 C ATOM 1403 C CYS 2 37 0.181 8.759 -5.578 1.00 0.00 C ATOM 1404 O CYS 2 37 0.117 9.648 -4.732 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.979 7.450 -5.357 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.704 7.402 -7.037 1.00 0.00 S ATOM 0 H CYS 2 37 -0.254 7.461 -3.232 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.157 6.698 -6.106 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.377 6.615 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.306 8.364 -4.861 1.00 0.00 H new ATOM 0 HG CYS 2 37 -4.000 7.456 -6.952 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.778 8.883 -6.755 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.421 10.128 -7.140 1.00 0.00 C ATOM 1413 C PHE 2 38 0.478 10.996 -7.976 1.00 0.00 C ATOM 1414 O PHE 2 38 0.011 10.572 -9.032 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.640 9.759 -7.987 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.529 10.949 -8.352 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.441 11.416 -7.456 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.408 11.541 -9.570 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.266 12.521 -7.795 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.232 12.645 -9.908 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.144 13.113 -9.013 1.00 0.00 C ATOM 0 H PHE 2 38 0.830 8.142 -7.454 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.700 10.693 -6.251 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.237 9.026 -7.445 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.300 9.278 -8.904 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.537 10.947 -6.488 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.684 11.170 -10.281 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.991 12.891 -7.085 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.136 13.114 -10.876 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.771 13.954 -9.270 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.229 12.196 -7.473 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.650 13.128 -8.160 1.00 0.00 C ATOM 1433 C ASP 2 39 0.171 13.965 -9.143 1.00 0.00 C ATOM 1434 O ASP 2 39 0.247 13.641 -10.327 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.321 14.084 -7.171 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.107 15.229 -7.811 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.143 14.924 -8.440 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.654 16.384 -7.657 1.00 0.00 O ATOM 0 H ASP 2 39 0.620 12.545 -6.598 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.415 12.550 -8.679 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.996 13.511 -6.536 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.555 14.508 -6.522 1.00 0.00 H new ATOM 1443 N SER 2 40 0.765 15.025 -8.616 1.00 0.00 N ATOM 1444 CA SER 2 40 1.578 15.911 -9.432 1.00 0.00 C ATOM 1445 C SER 2 40 0.711 17.032 -10.010 1.00 0.00 C ATOM 1446 O SER 2 40 1.229 18.053 -10.457 1.00 0.00 O ATOM 1447 CB SER 2 40 2.270 15.141 -10.559 1.00 0.00 C ATOM 1448 OG SER 2 40 3.526 15.717 -10.905 1.00 0.00 O ATOM 0 H SER 2 40 0.700 15.291 -7.633 1.00 0.00 H new ATOM 0 HA SER 2 40 2.350 16.347 -8.799 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.418 14.105 -10.253 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.624 15.125 -11.437 1.00 0.00 H new ATOM 0 HG SER 2 40 4.239 15.062 -10.755 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.594 16.802 -9.981 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.536 17.779 -10.496 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.421 19.091 -9.716 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.248 20.156 -10.307 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.973 17.262 -10.401 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.161 16.005 -11.252 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.523 16.013 -11.950 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.340 16.135 -13.414 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -5.327 15.988 -14.309 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.571 15.715 -13.894 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -5.069 16.117 -15.618 1.00 0.00 N ATOM 0 H ARG 2 41 -1.020 15.953 -9.609 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.293 17.953 -11.544 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.216 17.041 -9.362 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.665 18.037 -10.732 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.367 15.944 -11.997 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.076 15.119 -10.622 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -5.065 15.096 -11.718 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.126 16.842 -11.580 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.405 16.344 -13.763 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.767 15.619 -12.898 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -7.323 15.603 -14.574 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -4.122 16.327 -15.933 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.820 16.005 -16.299 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.523 18.970 -8.400 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.433 20.133 -7.534 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.155 20.042 -6.698 1.00 0.00 C ATOM 1481 O ILE 2 42 0.041 19.079 -5.959 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.706 20.278 -6.697 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.891 19.590 -7.378 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -2.996 21.748 -6.389 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.208 19.963 -6.695 1.00 0.00 C ATOM 0 H ILE 2 42 -1.667 18.085 -7.913 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.363 21.045 -8.127 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.546 19.775 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.928 19.877 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.755 18.509 -7.348 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.906 21.822 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.162 22.175 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.127 22.296 -7.322 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.034 19.461 -7.199 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.177 19.652 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.353 21.042 -6.749 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.704 21.086 -6.848 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.959 21.133 -6.115 1.00 0.00 C ATOM 1499 C PRO 2 43 1.723 21.492 -4.646 1.00 0.00 C ATOM 1500 O PRO 2 43 2.618 21.342 -3.816 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.804 22.161 -6.849 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.832 22.984 -7.679 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.506 22.244 -7.713 1.00 0.00 C ATOM 0 HA PRO 2 43 2.465 20.168 -6.085 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.349 22.792 -6.147 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.546 21.676 -7.483 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.705 23.976 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.217 23.125 -8.689 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.308 22.873 -7.352 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.248 21.941 -8.728 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.515 21.960 -4.371 1.00 0.00 N ATOM 1512 CA GLY 2 44 0.149 22.341 -3.018 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.456 21.158 -2.259 1.00 0.00 C ATOM 1514 O GLY 2 44 -0.676 21.238 -1.051 1.00 0.00 O ATOM 0 H GLY 2 44 -0.224 22.084 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 1.029 22.705 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.567 23.162 -3.049 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.707 20.088 -2.998 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.282 18.891 -2.410 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.219 17.792 -2.355 1.00 0.00 C ATOM 1521 O VAL 2 45 0.864 17.942 -2.922 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.532 18.474 -3.189 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.271 17.208 -4.008 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.725 18.283 -2.250 1.00 0.00 C ATOM 0 H VAL 2 45 -0.523 20.025 -3.999 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.602 19.085 -1.386 1.00 0.00 H new ATOM 0 HB VAL 2 45 -2.777 19.278 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.175 16.934 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.464 17.393 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -1.988 16.394 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.600 17.987 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -3.493 17.507 -1.520 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -3.933 19.219 -1.731 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.573 16.684 -1.652 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.340 15.561 -1.516 1.00 0.00 C ATOM 1536 C PRO 2 46 0.414 14.754 -2.814 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.567 14.133 -3.220 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.200 14.755 -0.346 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.644 15.194 -0.167 1.00 0.00 C ATOM 1540 CD PRO 2 46 -1.845 16.471 -0.968 1.00 0.00 C ATOM 0 HA PRO 2 46 1.367 15.874 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.139 13.686 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.380 14.942 0.558 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.325 14.416 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -1.863 15.366 0.887 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.664 16.367 -1.679 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.091 17.311 -0.319 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.587 14.791 -3.430 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.802 14.072 -4.673 1.00 0.00 C ATOM 1550 C TRP 2 47 2.229 12.644 -4.326 1.00 0.00 C ATOM 1551 O TRP 2 47 2.952 12.006 -5.090 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.813 14.800 -5.561 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.199 16.191 -5.053 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.484 17.323 -5.125 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.427 16.554 -4.387 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.159 18.384 -4.558 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.378 17.901 -4.094 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.541 15.769 -4.043 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.414 18.583 -3.444 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.568 16.465 -3.395 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.535 17.822 -3.092 1.00 0.00 C ATOM 0 H TRP 2 47 2.398 15.308 -3.091 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.882 14.028 -5.257 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.714 14.191 -5.643 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.399 14.893 -6.565 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.503 17.395 -5.571 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.826 19.346 -4.491 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.600 14.713 -4.261 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.352 19.639 -3.226 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.449 15.909 -3.110 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 7.370 18.286 -2.588 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.764 12.185 -3.174 1.00 0.00 N ATOM 1573 CA CYS 2 48 2.090 10.845 -2.716 1.00 0.00 C ATOM 1574 C CYS 2 48 1.207 10.522 -1.510 1.00 0.00 C ATOM 1575 O CYS 2 48 1.479 10.972 -0.397 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.578 10.706 -2.387 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.149 8.986 -2.135 1.00 0.00 S ATOM 0 H CYS 2 48 1.164 12.717 -2.544 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.893 10.128 -3.513 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.158 11.152 -3.195 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.792 11.281 -1.486 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.166 9.744 -1.769 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.760 9.355 -0.719 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.174 7.890 -0.868 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.579 7.150 -1.649 1.00 0.00 O ATOM 1586 CB PHE 2 49 -1.999 10.241 -0.864 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.260 10.716 -2.295 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.363 11.528 -2.916 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.390 10.326 -2.945 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.606 11.969 -4.244 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.632 10.768 -4.272 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.735 11.580 -4.894 1.00 0.00 C ATOM 0 H PHE 2 49 -0.057 9.372 -2.692 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.288 9.473 0.256 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -2.870 9.690 -0.510 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -1.888 11.112 -0.218 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.466 11.837 -2.400 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.102 9.681 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.894 12.614 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.529 10.459 -4.788 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.920 11.916 -5.904 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.191 7.516 -0.106 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.692 6.152 -0.144 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.195 6.173 -0.426 1.00 0.00 C ATOM 1605 O LYS 2 50 -4.999 5.831 0.441 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.318 5.408 1.140 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.799 6.172 2.377 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.620 6.781 3.138 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.582 5.712 3.487 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.373 5.650 4.951 1.00 0.00 N ATOM 0 H LYS 2 50 -2.682 8.133 0.541 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.223 5.596 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -2.760 4.412 1.129 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.237 5.277 1.187 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.489 6.961 2.076 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.351 5.499 3.033 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.156 7.560 2.533 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.978 7.257 4.051 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.914 4.741 3.120 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.361 5.936 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.334 4.920 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.035 6.572 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.271 5.414 5.420 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.540 6.590 -1.674 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.933 6.660 -2.081 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.496 5.263 -2.353 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.880 4.553 -1.426 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.938 7.553 -3.311 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.506 7.572 -3.819 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.616 7.003 -2.726 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.579 7.070 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.617 7.167 -4.071 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.277 8.558 -3.062 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.416 6.981 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.203 8.589 -4.067 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.030 6.160 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.909 7.749 -2.362 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.526 4.911 -3.631 1.00 0.00 N ATOM 1639 CA LEU 2 52 -7.035 3.613 -4.038 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.870 2.629 -4.164 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.849 1.800 -5.072 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.873 3.740 -5.311 1.00 0.00 C ATOM 1643 CG LEU 2 52 -7.116 3.577 -6.631 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.490 2.263 -7.318 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.339 4.785 -7.544 1.00 0.00 C ATOM 0 H LEU 2 52 -6.206 5.503 -4.397 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.709 3.214 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.667 2.994 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.354 4.718 -5.309 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.050 3.533 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.938 2.172 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -7.239 1.427 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.560 2.253 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.790 4.644 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.402 4.885 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.984 5.687 -7.047 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.929 2.755 -3.240 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.762 1.888 -3.236 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.189 0.424 -3.363 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.389 -0.429 -3.741 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.921 2.107 -1.978 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.383 3.538 -1.921 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.519 3.849 -3.145 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.534 4.942 -3.687 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.767 2.829 -3.549 1.00 0.00 N ATOM 0 H GLN 2 53 -4.951 3.444 -2.489 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.142 2.141 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.525 1.906 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.090 1.401 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.214 4.241 -1.870 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.795 3.673 -1.013 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.802 1.940 -3.050 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.155 2.936 -4.358 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.450 0.178 -3.037 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.993 -1.167 -3.110 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.505 -1.869 -4.379 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.447 -3.097 -4.430 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.522 -1.146 -3.048 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.121 -0.812 -4.416 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.446 -0.063 -4.266 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.497 0.833 -3.396 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -10.380 -0.403 -5.025 1.00 0.00 O ATOM 0 H GLU 2 54 -6.111 0.888 -2.722 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.635 -1.729 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.889 -2.116 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.850 -0.410 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.418 -0.204 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -8.280 -1.730 -4.981 1.00 0.00 H new ATOM 1689 N ALA 2 55 -5.168 -1.060 -5.371 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.686 -1.588 -6.637 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.779 -2.790 -6.370 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.237 -3.932 -6.382 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.973 -0.480 -7.415 1.00 0.00 C ATOM 0 H ALA 2 55 -5.219 -0.042 -5.325 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.518 -1.933 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.612 -0.876 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.669 0.337 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -3.130 -0.111 -6.832 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.509 -2.492 -6.137 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.534 -3.536 -5.868 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.096 -3.488 -4.402 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.093 -4.096 -4.030 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.329 -3.414 -6.804 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.287 -4.785 -7.086 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.812 -4.733 -6.982 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 2.295 -4.396 -5.879 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 2.462 -5.031 -8.008 1.00 0.00 O ATOM 0 H GLU 2 56 -2.133 -1.544 -6.129 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.003 -4.502 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.637 -2.950 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.419 -2.760 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.105 -5.516 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.002 -5.119 -8.082 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.870 -2.760 -3.610 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.575 -2.626 -2.194 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.347 -3.708 -1.437 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.752 -4.638 -0.897 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.904 -1.224 -1.678 1.00 0.00 C ATOM 1719 SG CYS 2 57 -1.077 -0.767 -0.111 1.00 0.00 S ATOM 0 H CYS 2 57 -2.701 -2.257 -3.922 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.506 -2.761 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.629 -0.497 -2.443 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.982 -1.148 -1.539 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.663 -3.552 -1.424 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.523 -4.503 -0.742 1.00 0.00 C ATOM 1726 C THR 2 58 -4.155 -5.935 -1.140 1.00 0.00 C ATOM 1727 O THR 2 58 -4.444 -6.880 -0.408 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.975 -4.141 -1.058 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.737 -4.934 -0.153 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.414 -4.629 -2.441 1.00 0.00 C ATOM 0 H THR 2 58 -4.154 -2.780 -1.875 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.388 -4.453 0.338 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.099 -3.060 -0.998 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.692 -4.760 -0.289 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.452 -4.346 -2.614 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.782 -4.175 -3.204 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.321 -5.714 -2.490 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.522 -6.049 -2.299 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.111 -7.348 -2.803 1.00 0.00 C ATOM 1740 C PHE 2 59 -1.809 -7.805 -2.142 1.00 0.00 C ATOM 1741 O PHE 2 59 -0.722 -7.438 -2.586 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.879 -7.191 -4.307 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.019 -7.732 -5.172 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.630 -8.901 -4.839 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.421 -7.046 -6.275 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.688 -9.404 -5.641 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.479 -7.548 -7.077 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.090 -8.716 -6.744 1.00 0.00 C ATOM 0 H PHE 2 59 -3.284 -5.262 -2.903 1.00 0.00 H new ATOM 0 HA PHE 2 59 -3.878 -8.092 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.734 -6.135 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.956 -7.704 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -4.310 -9.447 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.935 -6.119 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.173 -10.332 -5.376 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.799 -7.002 -7.952 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -6.895 -9.098 -7.355 1.00 0.00 H new