USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : 1 23 TYR OH : rot 30:sc= -1.58! USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.108 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.423 F(o=-2.7,f=-0.42) USER MOD Single : 1 33 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.052) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.208 USER MOD Single : 1 40 SER OG : rot 115:sc= 0.327 USER MOD Single : 1 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 53 GLN : amide:sc= -11.7! C(o=-12!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -150:sc= -0.107 USER MOD Single : 2 23 TYR OH : rot 30:sc= -1.12 USER MOD Single : 2 25 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.0085) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.174 F(o=-1.4,f=-0.17) USER MOD Single : 2 33 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.24) USER MOD Single : 2 37 CYS SG : rot -170:sc= -0.26 USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ -158:sc= 0.0497 (180deg=0) USER MOD Single : 2 53 GLN : amide:sc= -15! C(o=-15!,f=-22!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -0.938 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.569 -16.101 -2.462 1.00 0.00 N ATOM 229 CA ASP 1 17 1.487 -15.387 -3.119 1.00 0.00 C ATOM 230 C ASP 1 17 1.638 -13.887 -2.859 1.00 0.00 C ATOM 231 O ASP 1 17 0.727 -13.110 -3.140 1.00 0.00 O ATOM 232 CB ASP 1 17 0.126 -15.827 -2.575 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.082 -15.206 -3.277 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.896 -14.742 -4.423 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.165 -15.208 -2.652 1.00 0.00 O ATOM 0 HA ASP 1 17 1.537 -15.607 -4.185 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.054 -16.912 -2.652 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.078 -15.579 -1.515 1.00 0.00 H new ATOM 240 N ARG 1 18 2.796 -13.526 -2.327 1.00 0.00 N ATOM 241 CA ARG 1 18 3.078 -12.133 -2.025 1.00 0.00 C ATOM 242 C ARG 1 18 3.761 -11.459 -3.218 1.00 0.00 C ATOM 243 O ARG 1 18 4.044 -12.109 -4.223 1.00 0.00 O ATOM 244 CB ARG 1 18 3.977 -12.006 -0.794 1.00 0.00 C ATOM 245 CG ARG 1 18 3.505 -12.934 0.327 1.00 0.00 C ATOM 246 CD ARG 1 18 4.692 -13.600 1.024 1.00 0.00 C ATOM 247 NE ARG 1 18 4.212 -14.497 2.099 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.912 -14.791 3.202 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.130 -14.262 3.383 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.395 -15.614 4.125 1.00 0.00 N ATOM 0 H ARG 1 18 3.550 -14.174 -2.097 1.00 0.00 H new ATOM 0 HA ARG 1 18 2.128 -11.640 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 5.005 -12.249 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.975 -10.974 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.924 -12.366 1.054 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.844 -13.698 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.277 -14.167 0.300 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.352 -12.840 1.442 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.289 -14.918 1.993 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.523 -13.636 2.681 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.663 -14.486 4.223 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.468 -16.017 3.987 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.929 -15.838 4.965 1.00 0.00 H new ATOM 264 N VAL 1 19 4.006 -10.166 -3.067 1.00 0.00 N ATOM 265 CA VAL 1 19 4.650 -9.398 -4.118 1.00 0.00 C ATOM 266 C VAL 1 19 6.050 -8.986 -3.659 1.00 0.00 C ATOM 267 O VAL 1 19 6.643 -8.063 -4.214 1.00 0.00 O ATOM 268 CB VAL 1 19 3.774 -8.207 -4.508 1.00 0.00 C ATOM 269 CG1 VAL 1 19 4.158 -7.672 -5.889 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.290 -8.577 -4.456 1.00 0.00 C ATOM 0 H VAL 1 19 3.770 -9.631 -2.232 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.768 -10.005 -5.016 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.947 -7.413 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.520 -6.825 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 5.199 -7.350 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 4.029 -8.458 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.689 -7.712 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 2.095 -9.396 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 2.028 -8.887 -3.445 1.00 0.00 H new ATOM 280 N ASP 1 20 6.538 -9.692 -2.649 1.00 0.00 N ATOM 281 CA ASP 1 20 7.858 -9.411 -2.108 1.00 0.00 C ATOM 282 C ASP 1 20 8.111 -7.903 -2.151 1.00 0.00 C ATOM 283 O ASP 1 20 8.613 -7.382 -3.147 1.00 0.00 O ATOM 284 CB ASP 1 20 8.948 -10.097 -2.934 1.00 0.00 C ATOM 285 CG ASP 1 20 10.317 -9.416 -2.891 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.790 -9.162 -1.762 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.860 -9.162 -3.988 1.00 0.00 O ATOM 0 H ASP 1 20 6.043 -10.458 -2.191 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.891 -9.786 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 9.058 -11.123 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.618 -10.150 -3.971 1.00 0.00 H new ATOM 292 N CYS 1 21 7.753 -7.244 -1.059 1.00 0.00 N ATOM 293 CA CYS 1 21 7.934 -5.805 -0.960 1.00 0.00 C ATOM 294 C CYS 1 21 9.398 -5.484 -1.271 1.00 0.00 C ATOM 295 O CYS 1 21 9.697 -4.451 -1.869 1.00 0.00 O ATOM 296 CB CYS 1 21 7.513 -5.275 0.412 1.00 0.00 C ATOM 297 SG CYS 1 21 6.439 -3.795 0.366 1.00 0.00 S ATOM 0 H CYS 1 21 7.339 -7.679 -0.235 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.291 -5.304 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.992 -6.068 0.948 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.409 -5.038 0.985 1.00 0.00 H new ATOM 302 N GLY 1 22 10.271 -6.388 -0.852 1.00 0.00 N ATOM 303 CA GLY 1 22 11.696 -6.214 -1.079 1.00 0.00 C ATOM 304 C GLY 1 22 12.195 -4.911 -0.451 1.00 0.00 C ATOM 305 O GLY 1 22 12.765 -4.065 -1.139 1.00 0.00 O ATOM 0 H GLY 1 22 10.019 -7.243 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.241 -7.058 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.899 -6.207 -2.150 1.00 0.00 H new ATOM 309 N TYR 1 23 11.964 -4.790 0.847 1.00 0.00 N ATOM 310 CA TYR 1 23 12.384 -3.605 1.575 1.00 0.00 C ATOM 311 C TYR 1 23 13.786 -3.788 2.160 1.00 0.00 C ATOM 312 O TYR 1 23 14.138 -4.878 2.608 1.00 0.00 O ATOM 313 CB TYR 1 23 11.384 -3.439 2.722 1.00 0.00 C ATOM 314 CG TYR 1 23 10.911 -1.998 2.931 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.653 -1.193 1.841 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.743 -1.506 4.208 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.207 0.163 2.036 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.299 -0.150 4.405 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.052 0.617 3.309 1.00 0.00 C ATOM 320 OH TYR 1 23 9.631 1.898 3.495 1.00 0.00 O ATOM 0 H TYR 1 23 11.491 -5.493 1.414 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.411 -2.739 0.914 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.517 -4.071 2.529 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.841 -3.798 3.644 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.785 -1.579 0.841 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.944 -2.137 5.061 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.001 0.804 1.192 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.165 0.249 5.400 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.061 2.167 2.745 1.00 0.00 H new ATOM 330 N PRO 1 24 14.568 -2.676 2.137 1.00 0.00 N ATOM 331 CA PRO 1 24 15.923 -2.703 2.659 1.00 0.00 C ATOM 332 C PRO 1 24 15.921 -2.711 4.189 1.00 0.00 C ATOM 333 O PRO 1 24 16.947 -2.977 4.813 1.00 0.00 O ATOM 334 CB PRO 1 24 16.596 -1.472 2.072 1.00 0.00 C ATOM 335 CG PRO 1 24 15.468 -0.556 1.623 1.00 0.00 C ATOM 336 CD PRO 1 24 14.184 -1.368 1.614 1.00 0.00 C ATOM 0 HA PRO 1 24 16.463 -3.607 2.379 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.227 -0.981 2.813 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.239 -1.740 1.234 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.376 0.296 2.297 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.674 -0.156 0.630 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.417 -0.903 2.234 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.774 -1.449 0.607 1.00 0.00 H new ATOM 344 N HIS 1 25 14.757 -2.417 4.749 1.00 0.00 N ATOM 345 CA HIS 1 25 14.609 -2.387 6.194 1.00 0.00 C ATOM 346 C HIS 1 25 13.492 -3.346 6.614 1.00 0.00 C ATOM 347 O HIS 1 25 12.746 -3.062 7.551 1.00 0.00 O ATOM 348 CB HIS 1 25 14.380 -0.957 6.687 1.00 0.00 C ATOM 349 CG HIS 1 25 15.608 -0.308 7.279 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.059 -0.584 8.558 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.474 0.605 6.754 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.147 0.138 8.783 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.403 0.873 7.664 1.00 0.00 N ATOM 0 H HIS 1 25 13.908 -2.198 4.228 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.531 -2.728 6.666 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.026 -0.349 5.855 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.588 -0.964 7.436 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.414 1.037 5.766 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.729 0.143 9.693 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.181 1.522 7.545 1.00 0.00 H new ATOM 362 N VAL 1 26 13.413 -4.460 5.902 1.00 0.00 N ATOM 363 CA VAL 1 26 12.400 -5.462 6.190 1.00 0.00 C ATOM 364 C VAL 1 26 12.486 -5.858 7.665 1.00 0.00 C ATOM 365 O VAL 1 26 13.505 -6.383 8.112 1.00 0.00 O ATOM 366 CB VAL 1 26 12.557 -6.652 5.241 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.034 -6.969 4.999 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.811 -7.878 5.772 1.00 0.00 C ATOM 0 H VAL 1 26 14.034 -4.691 5.126 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.402 -5.057 6.020 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.113 -6.379 4.284 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.117 -7.819 4.321 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.524 -6.102 4.556 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.514 -7.213 5.947 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.938 -8.710 5.079 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.212 -8.154 6.747 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.751 -7.645 5.868 1.00 0.00 H new ATOM 378 N THR 1 27 11.404 -5.592 8.381 1.00 0.00 N ATOM 379 CA THR 1 27 11.344 -5.914 9.796 1.00 0.00 C ATOM 380 C THR 1 27 9.913 -5.766 10.316 1.00 0.00 C ATOM 381 O THR 1 27 9.126 -4.996 9.769 1.00 0.00 O ATOM 382 CB THR 1 27 12.351 -5.024 10.526 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.148 -5.941 11.271 1.00 0.00 O ATOM 384 CG2 THR 1 27 11.691 -4.150 11.596 1.00 0.00 C ATOM 0 H THR 1 27 10.561 -5.157 8.007 1.00 0.00 H new ATOM 0 HA THR 1 27 11.616 -6.954 9.977 1.00 0.00 H new ATOM 0 HB THR 1 27 12.865 -4.389 9.804 1.00 0.00 H new ATOM 0 HG1 THR 1 27 13.830 -5.448 11.774 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.449 -3.538 12.084 1.00 0.00 H new ATOM 0 HG22 THR 1 27 10.947 -3.504 11.130 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.206 -4.786 12.337 1.00 0.00 H new ATOM 392 N PRO 1 28 9.611 -6.538 11.396 1.00 0.00 N ATOM 393 CA PRO 1 28 8.288 -6.500 11.996 1.00 0.00 C ATOM 394 C PRO 1 28 8.092 -5.221 12.812 1.00 0.00 C ATOM 395 O PRO 1 28 7.849 -5.280 14.017 1.00 0.00 O ATOM 396 CB PRO 1 28 8.203 -7.762 12.839 1.00 0.00 C ATOM 397 CG PRO 1 28 9.637 -8.220 13.051 1.00 0.00 C ATOM 398 CD PRO 1 28 10.517 -7.463 12.069 1.00 0.00 C ATOM 0 HA PRO 1 28 7.490 -6.478 11.254 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 7.712 -7.563 13.792 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 7.618 -8.531 12.333 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 9.953 -8.025 14.076 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 9.722 -9.295 12.890 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.317 -6.930 12.583 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 10.991 -8.140 11.359 1.00 0.00 H new ATOM 406 N LYS 1 29 8.207 -4.095 12.124 1.00 0.00 N ATOM 407 CA LYS 1 29 8.046 -2.804 12.771 1.00 0.00 C ATOM 408 C LYS 1 29 8.245 -1.693 11.738 1.00 0.00 C ATOM 409 O LYS 1 29 7.694 -0.602 11.879 1.00 0.00 O ATOM 410 CB LYS 1 29 8.975 -2.691 13.981 1.00 0.00 C ATOM 411 CG LYS 1 29 8.715 -1.396 14.754 1.00 0.00 C ATOM 412 CD LYS 1 29 8.492 -1.679 16.240 1.00 0.00 C ATOM 413 CE LYS 1 29 9.234 -0.662 17.109 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.110 -1.352 18.082 1.00 0.00 N ATOM 0 H LYS 1 29 8.410 -4.050 11.125 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.035 -2.698 13.164 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 8.827 -3.547 14.639 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.013 -2.719 13.651 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.561 -0.720 14.632 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.841 -0.891 14.341 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 7.426 -1.645 16.464 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.836 -2.686 16.478 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 9.830 -0.002 16.478 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.516 -0.035 17.638 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 10.606 -0.647 18.664 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.534 -1.963 18.695 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 10.807 -1.932 17.572 1.00 0.00 H new ATOM 428 N GLU 1 30 9.034 -2.008 10.721 1.00 0.00 N ATOM 429 CA GLU 1 30 9.313 -1.050 9.664 1.00 0.00 C ATOM 430 C GLU 1 30 8.403 -1.309 8.462 1.00 0.00 C ATOM 431 O GLU 1 30 7.832 -0.376 7.899 1.00 0.00 O ATOM 432 CB GLU 1 30 10.786 -1.095 9.258 1.00 0.00 C ATOM 433 CG GLU 1 30 11.543 0.118 9.803 1.00 0.00 C ATOM 434 CD GLU 1 30 12.369 -0.258 11.035 1.00 0.00 C ATOM 435 OE1 GLU 1 30 11.744 -0.457 12.099 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.607 -0.340 10.884 1.00 0.00 O ATOM 0 H GLU 1 30 9.489 -2.914 10.606 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.107 -0.049 10.042 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.242 -2.011 9.633 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.867 -1.120 8.171 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.199 0.519 9.030 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 10.836 0.906 10.062 1.00 0.00 H new ATOM 443 N CYS 1 31 8.298 -2.579 8.102 1.00 0.00 N ATOM 444 CA CYS 1 31 7.468 -2.973 6.975 1.00 0.00 C ATOM 445 C CYS 1 31 6.013 -2.644 7.313 1.00 0.00 C ATOM 446 O CYS 1 31 5.340 -1.942 6.560 1.00 0.00 O ATOM 447 CB CYS 1 31 7.654 -4.450 6.625 1.00 0.00 C ATOM 448 SG CYS 1 31 9.024 -4.797 5.463 1.00 0.00 S ATOM 0 H CYS 1 31 8.774 -3.350 8.571 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.768 -2.417 6.086 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.827 -5.008 7.545 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.726 -4.826 6.194 1.00 0.00 H new ATOM 453 N ASN 1 32 5.570 -3.168 8.446 1.00 0.00 N ATOM 454 CA ASN 1 32 4.205 -2.940 8.893 1.00 0.00 C ATOM 455 C ASN 1 32 4.015 -1.452 9.195 1.00 0.00 C ATOM 456 O ASN 1 32 2.908 -1.014 9.503 1.00 0.00 O ATOM 457 CB ASN 1 32 3.906 -3.724 10.171 1.00 0.00 C ATOM 458 CG ASN 1 32 3.202 -5.044 9.852 1.00 0.00 C ATOM 459 OD1 ASN 1 32 3.922 -5.874 9.102 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.080 -5.294 10.260 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.131 -3.750 9.068 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.531 -3.270 8.102 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 4.835 -3.923 10.706 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.280 -3.124 10.832 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.582 -4.612 10.832 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.640 -6.185 10.029 1.00 0.00 H new ATOM 467 N ASN 1 33 5.113 -0.716 9.098 1.00 0.00 N ATOM 468 CA ASN 1 33 5.080 0.714 9.358 1.00 0.00 C ATOM 469 C ASN 1 33 5.220 1.471 8.036 1.00 0.00 C ATOM 470 O ASN 1 33 4.760 2.606 7.915 1.00 0.00 O ATOM 471 CB ASN 1 33 6.236 1.134 10.268 1.00 0.00 C ATOM 472 CG ASN 1 33 6.328 2.657 10.368 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.389 3.339 10.748 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.509 3.153 10.007 1.00 0.00 N ATOM 0 H ASN 1 33 6.030 -1.083 8.843 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.134 0.947 9.846 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.095 0.708 11.262 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.173 0.734 9.880 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.671 4.160 10.039 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.253 2.527 9.699 1.00 0.00 H new ATOM 481 N ARG 1 34 5.855 0.813 7.077 1.00 0.00 N ATOM 482 CA ARG 1 34 6.062 1.410 5.768 1.00 0.00 C ATOM 483 C ARG 1 34 4.852 1.146 4.869 1.00 0.00 C ATOM 484 O ARG 1 34 4.507 1.974 4.028 1.00 0.00 O ATOM 485 CB ARG 1 34 7.318 0.850 5.100 1.00 0.00 C ATOM 486 CG ARG 1 34 7.013 -0.456 4.364 1.00 0.00 C ATOM 487 CD ARG 1 34 6.433 -0.181 2.975 1.00 0.00 C ATOM 488 NE ARG 1 34 7.430 -0.515 1.935 1.00 0.00 N ATOM 489 CZ ARG 1 34 7.468 0.050 0.721 1.00 0.00 C ATOM 490 NH1 ARG 1 34 6.564 0.982 0.387 1.00 0.00 N ATOM 491 NH2 ARG 1 34 8.409 -0.316 -0.160 1.00 0.00 N ATOM 0 H ARG 1 34 6.233 -0.129 7.180 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.188 2.484 5.908 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.718 1.582 4.398 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.087 0.676 5.852 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.925 -1.046 4.271 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.307 -1.049 4.946 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.529 -0.771 2.826 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 6.147 0.867 2.893 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.133 -1.220 2.156 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 5.847 1.261 1.057 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 6.593 1.412 -0.537 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 9.097 -1.025 0.094 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 8.437 0.115 -1.084 1.00 0.00 H new ATOM 505 N GLY 1 35 4.242 -0.012 5.077 1.00 0.00 N ATOM 506 CA GLY 1 35 3.080 -0.396 4.295 1.00 0.00 C ATOM 507 C GLY 1 35 3.222 -1.825 3.765 1.00 0.00 C ATOM 508 O GLY 1 35 2.582 -2.194 2.781 1.00 0.00 O ATOM 0 H GLY 1 35 4.531 -0.696 5.776 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.183 -0.320 4.909 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.955 0.294 3.461 1.00 0.00 H new ATOM 512 N CYS 1 36 4.065 -2.591 4.441 1.00 0.00 N ATOM 513 CA CYS 1 36 4.299 -3.971 4.052 1.00 0.00 C ATOM 514 C CYS 1 36 3.929 -4.873 5.231 1.00 0.00 C ATOM 515 O CYS 1 36 3.575 -4.385 6.303 1.00 0.00 O ATOM 516 CB CYS 1 36 5.743 -4.193 3.595 1.00 0.00 C ATOM 517 SG CYS 1 36 6.269 -3.156 2.182 1.00 0.00 S ATOM 0 H CYS 1 36 4.595 -2.282 5.256 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.673 -4.220 3.195 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.409 -4.001 4.436 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.866 -5.241 3.324 1.00 0.00 H new ATOM 522 N CYS 1 37 4.023 -6.173 4.993 1.00 0.00 N ATOM 523 CA CYS 1 37 3.703 -7.148 6.022 1.00 0.00 C ATOM 524 C CYS 1 37 4.917 -8.057 6.217 1.00 0.00 C ATOM 525 O CYS 1 37 5.380 -8.691 5.270 1.00 0.00 O ATOM 526 CB CYS 1 37 2.443 -7.943 5.675 1.00 0.00 C ATOM 527 SG CYS 1 37 1.549 -8.631 7.116 1.00 0.00 S ATOM 0 H CYS 1 37 4.316 -6.574 4.102 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.482 -6.634 6.958 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.764 -7.297 5.119 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.719 -8.762 5.011 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.500 -9.281 6.706 1.00 0.00 H new ATOM 532 N PHE 1 38 5.398 -8.094 7.450 1.00 0.00 N ATOM 533 CA PHE 1 38 6.549 -8.917 7.781 1.00 0.00 C ATOM 534 C PHE 1 38 6.116 -10.327 8.190 1.00 0.00 C ATOM 535 O PHE 1 38 5.337 -10.493 9.127 1.00 0.00 O ATOM 536 CB PHE 1 38 7.252 -8.248 8.965 1.00 0.00 C ATOM 537 CG PHE 1 38 8.587 -8.893 9.341 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.709 -8.594 8.633 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.652 -9.763 10.384 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.949 -9.192 8.982 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.892 -10.361 10.733 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.014 -10.063 10.025 1.00 0.00 C ATOM 0 H PHE 1 38 5.012 -7.567 8.233 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.205 -9.005 6.915 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.422 -7.198 8.727 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.590 -8.276 9.831 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.657 -7.902 7.806 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.761 -9.999 10.947 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.840 -8.955 8.420 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 9.944 -11.053 11.561 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.957 -10.518 10.291 1.00 0.00 H new ATOM 552 N ASP 1 39 6.642 -11.305 7.467 1.00 0.00 N ATOM 553 CA ASP 1 39 6.320 -12.695 7.743 1.00 0.00 C ATOM 554 C ASP 1 39 7.307 -13.248 8.773 1.00 0.00 C ATOM 555 O ASP 1 39 7.020 -13.261 9.969 1.00 0.00 O ATOM 556 CB ASP 1 39 6.430 -13.547 6.477 1.00 0.00 C ATOM 557 CG ASP 1 39 6.233 -15.049 6.690 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.087 -15.432 7.006 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.235 -15.781 6.533 1.00 0.00 O ATOM 0 H ASP 1 39 7.288 -11.163 6.691 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.297 -12.737 8.118 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.691 -13.197 5.756 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.411 -13.384 6.031 1.00 0.00 H new ATOM 564 N SER 1 40 8.451 -13.690 8.271 1.00 0.00 N ATOM 565 CA SER 1 40 9.483 -14.243 9.133 1.00 0.00 C ATOM 566 C SER 1 40 9.256 -15.744 9.323 1.00 0.00 C ATOM 567 O SER 1 40 10.152 -16.458 9.771 1.00 0.00 O ATOM 568 CB SER 1 40 9.506 -13.533 10.488 1.00 0.00 C ATOM 569 OG SER 1 40 10.828 -13.432 11.013 1.00 0.00 O ATOM 0 H SER 1 40 8.686 -13.677 7.279 1.00 0.00 H new ATOM 0 HA SER 1 40 10.450 -14.086 8.655 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.080 -12.535 10.382 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.876 -14.075 11.193 1.00 0.00 H new ATOM 0 HG SER 1 40 11.092 -12.489 11.056 1.00 0.00 H new ATOM 575 N ARG 1 41 8.054 -16.177 8.973 1.00 0.00 N ATOM 576 CA ARG 1 41 7.699 -17.581 9.101 1.00 0.00 C ATOM 577 C ARG 1 41 8.576 -18.436 8.185 1.00 0.00 C ATOM 578 O ARG 1 41 9.097 -19.469 8.604 1.00 0.00 O ATOM 579 CB ARG 1 41 6.228 -17.811 8.746 1.00 0.00 C ATOM 580 CG ARG 1 41 5.307 -17.134 9.763 1.00 0.00 C ATOM 581 CD ARG 1 41 4.197 -18.085 10.215 1.00 0.00 C ATOM 582 NE ARG 1 41 4.727 -19.048 11.205 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.996 -20.010 11.784 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.699 -20.143 11.476 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.562 -20.839 12.673 1.00 0.00 N ATOM 0 H ARG 1 41 7.314 -15.582 8.601 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.861 -17.871 10.139 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.025 -17.420 7.749 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.020 -18.881 8.717 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.888 -16.811 10.627 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.867 -16.239 9.322 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.376 -17.517 10.652 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.793 -18.620 9.356 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.711 -18.975 11.463 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.268 -19.512 10.801 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.143 -20.875 11.917 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.549 -20.737 12.909 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.005 -21.571 13.114 1.00 0.00 H new ATOM 599 N ILE 1 42 8.714 -17.975 6.950 1.00 0.00 N ATOM 600 CA ILE 1 42 9.520 -18.684 5.971 1.00 0.00 C ATOM 601 C ILE 1 42 10.641 -17.767 5.478 1.00 0.00 C ATOM 602 O ILE 1 42 10.377 -16.737 4.860 1.00 0.00 O ATOM 603 CB ILE 1 42 8.638 -19.236 4.849 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.251 -19.609 5.376 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.319 -20.410 4.144 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.562 -20.609 4.445 1.00 0.00 C ATOM 0 H ILE 1 42 8.281 -17.118 6.605 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.996 -19.552 6.427 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.499 -18.451 4.105 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.340 -20.038 6.374 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.639 -18.711 5.468 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.671 -20.784 3.351 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.264 -20.078 3.714 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.508 -21.207 4.864 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.578 -20.858 4.842 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.452 -20.168 3.454 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.164 -21.515 4.374 1.00 0.00 H new ATOM 618 N PRO 1 43 11.900 -18.184 5.778 1.00 0.00 N ATOM 619 CA PRO 1 43 13.061 -17.411 5.372 1.00 0.00 C ATOM 620 C PRO 1 43 13.328 -17.570 3.875 1.00 0.00 C ATOM 621 O PRO 1 43 14.174 -16.873 3.314 1.00 0.00 O ATOM 622 CB PRO 1 43 14.199 -17.928 6.237 1.00 0.00 C ATOM 623 CG PRO 1 43 13.744 -19.280 6.761 1.00 0.00 C ATOM 624 CD PRO 1 43 12.249 -19.398 6.509 1.00 0.00 C ATOM 0 HA PRO 1 43 12.925 -16.339 5.515 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.118 -18.023 5.658 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.409 -17.242 7.057 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.281 -20.085 6.258 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.960 -19.369 7.826 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.014 -20.291 5.929 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.694 -19.470 7.444 1.00 0.00 H new ATOM 632 N GLY 1 44 12.593 -18.489 3.268 1.00 0.00 N ATOM 633 CA GLY 1 44 12.740 -18.748 1.846 1.00 0.00 C ATOM 634 C GLY 1 44 11.756 -17.908 1.031 1.00 0.00 C ATOM 635 O GLY 1 44 11.775 -17.941 -0.198 1.00 0.00 O ATOM 0 H GLY 1 44 11.893 -19.065 3.736 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.760 -18.523 1.535 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.572 -19.806 1.646 1.00 0.00 H new ATOM 639 N VAL 1 45 10.918 -17.173 1.749 1.00 0.00 N ATOM 640 CA VAL 1 45 9.928 -16.325 1.108 1.00 0.00 C ATOM 641 C VAL 1 45 10.169 -14.869 1.515 1.00 0.00 C ATOM 642 O VAL 1 45 11.081 -14.581 2.288 1.00 0.00 O ATOM 643 CB VAL 1 45 8.520 -16.815 1.447 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.496 -18.335 1.626 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.978 -16.109 2.692 1.00 0.00 C ATOM 0 H VAL 1 45 10.905 -17.148 2.769 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.024 -16.380 0.024 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.869 -16.565 0.609 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.483 -18.657 1.866 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.820 -18.815 0.703 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.168 -18.617 2.437 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.975 -16.476 2.911 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.632 -16.313 3.540 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.940 -15.034 2.513 1.00 0.00 H new ATOM 655 N PRO 1 46 9.313 -13.968 0.963 1.00 0.00 N ATOM 656 CA PRO 1 46 9.423 -12.551 1.261 1.00 0.00 C ATOM 657 C PRO 1 46 8.897 -12.243 2.665 1.00 0.00 C ATOM 658 O PRO 1 46 7.714 -12.435 2.944 1.00 0.00 O ATOM 659 CB PRO 1 46 8.633 -11.856 0.165 1.00 0.00 C ATOM 660 CG PRO 1 46 7.727 -12.919 -0.435 1.00 0.00 C ATOM 661 CD PRO 1 46 8.220 -14.275 0.044 1.00 0.00 C ATOM 0 HA PRO 1 46 10.456 -12.202 1.271 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 8.050 -11.029 0.569 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.298 -11.438 -0.591 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.694 -12.758 -0.128 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.747 -12.868 -1.524 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.427 -14.831 0.544 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.563 -14.889 -0.789 1.00 0.00 H new ATOM 669 N TRP 1 47 9.800 -11.770 3.511 1.00 0.00 N ATOM 670 CA TRP 1 47 9.442 -11.434 4.877 1.00 0.00 C ATOM 671 C TRP 1 47 8.984 -9.974 4.901 1.00 0.00 C ATOM 672 O TRP 1 47 9.119 -9.294 5.916 1.00 0.00 O ATOM 673 CB TRP 1 47 10.604 -11.711 5.833 1.00 0.00 C ATOM 674 CG TRP 1 47 11.734 -12.539 5.216 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.745 -13.852 4.953 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.024 -12.051 4.792 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.943 -14.246 4.393 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.746 -13.116 4.292 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.563 -10.753 4.830 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.048 -12.991 3.792 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.866 -10.647 4.327 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.606 -11.708 3.820 1.00 0.00 C ATOM 0 H TRP 1 47 10.780 -11.612 3.276 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.622 -12.062 5.226 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.011 -10.761 6.179 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.223 -12.233 6.711 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.920 -14.519 5.154 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.193 -15.192 4.106 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.016 -9.905 5.216 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.593 -13.840 3.405 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.328 -9.671 4.334 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.607 -11.543 3.449 1.00 0.00 H new ATOM 693 N CYS 1 48 8.450 -9.537 3.770 1.00 0.00 N ATOM 694 CA CYS 1 48 7.972 -8.171 3.647 1.00 0.00 C ATOM 695 C CYS 1 48 7.241 -8.036 2.311 1.00 0.00 C ATOM 696 O CYS 1 48 7.869 -8.034 1.252 1.00 0.00 O ATOM 697 CB CYS 1 48 9.110 -7.157 3.780 1.00 0.00 C ATOM 698 SG CYS 1 48 8.580 -5.406 3.813 1.00 0.00 S ATOM 0 H CYS 1 48 8.338 -10.105 2.930 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.282 -7.951 4.462 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.663 -7.371 4.694 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.801 -7.297 2.949 1.00 0.00 H new ATOM 703 N PHE 1 49 5.923 -7.925 2.401 1.00 0.00 N ATOM 704 CA PHE 1 49 5.100 -7.790 1.212 1.00 0.00 C ATOM 705 C PHE 1 49 3.926 -6.840 1.461 1.00 0.00 C ATOM 706 O PHE 1 49 3.889 -6.149 2.478 1.00 0.00 O ATOM 707 CB PHE 1 49 4.554 -9.181 0.885 1.00 0.00 C ATOM 708 CG PHE 1 49 4.403 -10.093 2.104 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.508 -10.539 2.760 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.165 -10.456 2.533 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.369 -11.385 3.892 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.025 -11.303 3.664 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.130 -11.749 4.320 1.00 0.00 C ATOM 0 H PHE 1 49 5.405 -7.926 3.280 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.694 -7.383 0.394 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.583 -9.074 0.401 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.218 -9.661 0.165 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.491 -10.250 2.420 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.288 -10.100 2.013 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.246 -11.739 4.413 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.042 -11.593 4.003 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.024 -12.392 5.181 1.00 0.00 H new ATOM 723 N LYS 1 50 2.998 -6.837 0.517 1.00 0.00 N ATOM 724 CA LYS 1 50 1.826 -5.984 0.622 1.00 0.00 C ATOM 725 C LYS 1 50 0.565 -6.848 0.571 1.00 0.00 C ATOM 726 O LYS 1 50 -0.184 -6.803 -0.405 1.00 0.00 O ATOM 727 CB LYS 1 50 1.865 -4.887 -0.444 1.00 0.00 C ATOM 728 CG LYS 1 50 2.027 -5.487 -1.843 1.00 0.00 C ATOM 729 CD LYS 1 50 3.408 -5.169 -2.419 1.00 0.00 C ATOM 730 CE LYS 1 50 3.704 -3.670 -2.337 1.00 0.00 C ATOM 731 NZ LYS 1 50 4.067 -3.140 -3.671 1.00 0.00 N ATOM 0 H LYS 1 50 3.033 -7.412 -0.325 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.817 -5.465 1.580 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.948 -4.300 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.690 -4.205 -0.239 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.888 -6.567 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.254 -5.093 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.171 -5.724 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 3.457 -5.497 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.831 -3.141 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.518 -3.492 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 4.265 -2.122 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.913 -3.633 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 3.278 -3.293 -4.332 1.00 0.00 H new ATOM 745 N PRO 1 51 0.363 -7.635 1.660 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.796 -8.509 1.748 1.00 0.00 C ATOM 747 C PRO 1 51 -2.065 -7.708 2.047 1.00 0.00 C ATOM 748 O PRO 1 51 -2.657 -7.117 1.146 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.452 -9.508 2.841 1.00 0.00 C ATOM 750 CG PRO 1 51 0.678 -8.880 3.640 1.00 0.00 C ATOM 751 CD PRO 1 51 1.227 -7.715 2.834 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.009 -9.022 0.810 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.316 -9.705 3.476 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.145 -10.463 2.415 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.315 -8.537 4.609 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.461 -9.613 3.834 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.201 -6.789 3.409 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.266 -7.885 2.550 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.444 -7.714 3.318 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.633 -6.997 3.747 1.00 0.00 C ATOM 761 C LEU 1 52 -3.237 -5.586 4.189 1.00 0.00 C ATOM 762 O LEU 1 52 -3.818 -5.041 5.127 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.380 -7.792 4.819 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.945 -7.541 6.264 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.102 -6.981 7.095 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.355 -8.809 6.886 1.00 0.00 C ATOM 0 H LEU 1 52 -1.949 -8.204 4.063 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.334 -6.888 2.920 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.443 -7.566 4.736 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.262 -8.854 4.604 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.158 -6.787 6.258 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.766 -6.811 8.118 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.438 -6.039 6.662 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.927 -7.694 7.097 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.054 -8.604 7.913 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.104 -9.600 6.879 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.486 -9.127 6.309 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.253 -5.036 3.496 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.774 -3.700 3.805 1.00 0.00 C ATOM 780 C GLN 1 53 -2.921 -2.691 3.717 1.00 0.00 C ATOM 781 O GLN 1 53 -2.851 -1.612 4.305 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.622 -3.302 2.881 1.00 0.00 C ATOM 783 CG GLN 1 53 0.566 -4.251 3.045 1.00 0.00 C ATOM 784 CD GLN 1 53 0.997 -4.342 4.511 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.736 -3.516 5.020 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.493 -5.388 5.158 1.00 0.00 N ATOM 0 H GLN 1 53 -1.773 -5.492 2.720 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.393 -3.700 4.826 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.961 -3.314 1.845 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.310 -2.281 3.102 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.298 -5.242 2.679 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.401 -3.902 2.438 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.120 -6.042 4.671 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.719 -5.537 6.141 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.951 -3.078 2.978 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.111 -2.220 2.806 1.00 0.00 C ATOM 797 C GLU 1 54 -5.538 -1.627 4.149 1.00 0.00 C ATOM 798 O GLU 1 54 -6.194 -0.587 4.193 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.266 -2.984 2.153 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.807 -4.065 3.091 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.326 -4.200 2.953 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.757 -4.696 1.889 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.020 -3.804 3.913 1.00 0.00 O ATOM 0 H GLU 1 54 -4.006 -3.973 2.492 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.836 -1.401 2.141 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.065 -2.290 1.893 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.925 -3.441 1.224 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.331 -5.019 2.865 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.552 -3.818 4.122 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.148 -2.313 5.214 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.482 -1.867 6.557 1.00 0.00 C ATOM 812 C ALA 1 55 -5.367 -0.343 6.625 1.00 0.00 C ATOM 813 O ALA 1 55 -6.362 0.349 6.838 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.572 -2.567 7.567 1.00 0.00 C ATOM 0 H ALA 1 55 -4.604 -3.175 5.174 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.510 -2.131 6.807 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.822 -2.233 8.574 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.713 -3.646 7.497 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.532 -2.322 7.351 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.145 0.135 6.443 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.887 1.564 6.482 1.00 0.00 C ATOM 822 C GLU 1 56 -3.183 2.012 5.200 1.00 0.00 C ATOM 823 O GLU 1 56 -2.589 3.089 5.158 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.067 1.940 7.718 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.944 2.617 8.774 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.827 1.905 10.123 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.693 1.499 10.455 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -4.875 1.784 10.793 1.00 0.00 O ATOM 0 H GLU 1 56 -3.322 -0.442 6.268 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.843 2.084 6.549 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.608 1.046 8.140 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.256 2.609 7.431 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.648 3.660 8.883 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.983 2.613 8.446 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.272 1.163 4.187 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.650 1.458 2.907 1.00 0.00 C ATOM 837 C CYS 1 57 -3.721 2.020 1.971 1.00 0.00 C ATOM 838 O CYS 1 57 -3.910 3.233 1.895 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.963 0.226 2.314 1.00 0.00 C ATOM 840 SG CYS 1 57 -1.255 0.470 0.645 1.00 0.00 S ATOM 0 H CYS 1 57 -3.765 0.271 4.226 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.863 2.200 3.045 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.167 -0.088 2.989 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.685 -0.590 2.271 1.00 0.00 H new ATOM 845 N THR 1 58 -4.396 1.111 1.282 1.00 0.00 N ATOM 846 CA THR 1 58 -5.444 1.502 0.354 1.00 0.00 C ATOM 847 C THR 1 58 -6.247 2.676 0.918 1.00 0.00 C ATOM 848 O THR 1 58 -6.684 3.549 0.171 1.00 0.00 O ATOM 849 CB THR 1 58 -6.299 0.267 0.060 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.115 0.664 -1.038 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.298 -0.032 1.178 1.00 0.00 C ATOM 0 H THR 1 58 -4.238 0.106 1.348 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.026 1.858 -0.587 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.651 -0.597 -0.088 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.969 0.185 -1.001 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.879 -0.917 0.920 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.760 -0.210 2.109 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.968 0.818 1.304 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.415 2.659 2.232 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.156 3.711 2.905 1.00 0.00 C ATOM 861 C PHE 1 59 -6.915 5.066 2.237 1.00 0.00 C ATOM 862 O PHE 1 59 -6.262 5.937 2.810 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.645 3.767 4.346 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.489 4.644 5.273 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.753 4.265 5.602 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.977 5.804 5.767 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.537 5.079 6.462 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.761 6.617 6.626 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.025 6.237 6.956 1.00 0.00 C ATOM 0 H PHE 1 59 -6.050 1.933 2.848 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.224 3.500 2.860 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.614 2.755 4.749 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.621 4.140 4.343 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.160 3.345 5.209 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.974 6.106 5.505 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.541 4.778 6.724 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.354 7.538 7.018 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.621 6.855 7.610 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.195 15.300 0.679 1.00 0.00 N ATOM 1108 CA ASP 2 17 -8.758 14.189 1.427 1.00 0.00 C ATOM 1109 C ASP 2 17 -7.675 13.134 1.659 1.00 0.00 C ATOM 1110 O ASP 2 17 -7.687 12.439 2.674 1.00 0.00 O ATOM 1111 CB ASP 2 17 -9.903 13.529 0.655 1.00 0.00 C ATOM 1112 CG ASP 2 17 -10.799 12.609 1.487 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -10.717 12.711 2.731 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.545 11.826 0.862 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.137 14.577 2.373 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.521 14.311 0.213 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.481 12.953 -0.168 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.762 13.048 0.702 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.674 12.089 0.790 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.080 12.088 2.199 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.412 12.945 3.017 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.572 12.415 -0.221 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.117 12.401 -1.650 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.451 13.484 -2.501 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.113 13.570 -3.821 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.512 14.002 -4.937 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.229 14.391 -4.901 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -5.191 14.046 -6.092 1.00 0.00 N ATOM 0 H ARG 2 18 -6.754 13.627 -0.138 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.080 11.103 0.564 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.148 13.395 0.001 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -3.763 11.690 -0.129 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -4.944 11.423 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.195 12.558 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.511 14.446 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.393 13.257 -2.630 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.089 13.282 -3.885 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.710 14.358 -4.023 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.772 14.720 -5.751 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -6.167 13.750 -6.122 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.732 14.375 -6.941 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.213 11.116 2.440 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.570 10.991 3.737 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.105 11.419 3.619 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.274 11.032 4.439 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.735 9.567 4.269 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.635 9.536 5.796 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.054 8.953 3.793 1.00 0.00 C ATOM 0 H VAL 2 19 -3.941 10.407 1.759 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.045 11.651 4.463 1.00 0.00 H new ATOM 0 HB VAL 2 19 -2.921 8.964 3.868 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.756 8.511 6.148 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.660 9.913 6.104 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.418 10.162 6.225 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.146 7.940 4.185 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.887 9.558 4.151 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.069 8.923 2.704 1.00 0.00 H new ATOM 1159 N ASP 2 20 -1.835 12.211 2.592 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.486 12.695 2.356 1.00 0.00 C ATOM 1161 C ASP 2 20 0.520 11.649 2.842 1.00 0.00 C ATOM 1162 O ASP 2 20 0.959 11.693 3.991 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.224 13.994 3.122 1.00 0.00 C ATOM 1164 CG ASP 2 20 1.236 14.231 3.513 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 2.097 14.066 2.621 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.458 14.572 4.694 1.00 0.00 O ATOM 0 H ASP 2 20 -2.527 12.529 1.914 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.377 12.878 1.287 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.562 14.832 2.512 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -0.831 13.993 4.027 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.854 10.734 1.944 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.799 9.678 2.268 1.00 0.00 C ATOM 1173 C CYS 2 21 3.029 10.317 2.915 1.00 0.00 C ATOM 1174 O CYS 2 21 3.635 9.736 3.814 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.167 8.851 1.034 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.530 7.090 1.371 1.00 0.00 S ATOM 0 H CYS 2 21 0.488 10.702 0.993 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.343 8.979 2.969 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.347 8.908 0.318 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 3.038 9.302 0.558 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.363 11.505 2.432 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.511 12.229 2.952 1.00 0.00 C ATOM 1183 C GLY 2 22 5.795 11.415 2.782 1.00 0.00 C ATOM 1184 O GLY 2 22 6.518 11.180 3.749 1.00 0.00 O ATOM 0 H GLY 2 22 2.859 11.984 1.686 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.609 13.183 2.433 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.356 12.454 4.007 1.00 0.00 H new ATOM 1188 N TYR 2 23 6.040 11.009 1.545 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.225 10.226 1.236 1.00 0.00 C ATOM 1190 C TYR 2 23 8.402 11.133 0.873 1.00 0.00 C ATOM 1191 O TYR 2 23 8.241 12.097 0.124 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.861 9.372 0.020 1.00 0.00 C ATOM 1193 CG TYR 2 23 7.325 7.918 0.118 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.250 7.251 1.325 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.818 7.273 -0.997 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.686 5.882 1.418 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 8.254 5.903 -0.904 1.00 0.00 C ATOM 1198 CZ TYR 2 23 8.166 5.276 0.300 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.578 3.983 0.388 1.00 0.00 O ATOM 0 H TYR 2 23 5.439 11.207 0.745 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.522 9.625 2.095 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.779 9.389 -0.112 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.298 9.823 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.865 7.756 2.198 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.877 7.795 -1.940 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.633 5.348 2.355 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.641 5.386 -1.770 1.00 0.00 H new ATOM 0 HH TYR 2 23 8.062 3.522 1.082 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.591 10.786 1.436 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.794 11.559 1.179 1.00 0.00 C ATOM 1211 C PRO 2 24 11.337 11.279 -0.223 1.00 0.00 C ATOM 1212 O PRO 2 24 12.333 11.871 -0.638 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.762 11.158 2.280 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.239 9.842 2.834 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.819 9.653 2.327 1.00 0.00 C ATOM 0 HA PRO 2 24 10.614 12.634 1.196 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.773 11.043 1.889 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.806 11.920 3.058 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.872 9.015 2.513 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.257 9.853 3.924 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.710 8.706 1.799 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 9.103 9.645 3.149 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.658 10.377 -0.918 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.059 10.012 -2.266 1.00 0.00 C ATOM 1225 C HIS 2 25 9.864 10.148 -3.211 1.00 0.00 C ATOM 1226 O HIS 2 25 9.819 9.502 -4.257 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.676 8.612 -2.288 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.060 8.560 -2.891 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.083 7.797 -2.355 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.578 9.184 -3.987 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.164 7.963 -3.103 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.849 8.823 -4.113 1.00 0.00 N ATOM 0 H HIS 2 25 9.832 9.888 -0.572 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.834 10.693 -2.616 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.721 8.230 -1.268 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.021 7.946 -2.850 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.045 9.858 -4.641 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 16.126 7.499 -2.941 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.486 9.137 -4.845 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.926 10.993 -2.810 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.734 11.223 -3.609 1.00 0.00 C ATOM 1243 C VAL 2 26 8.138 11.443 -5.068 1.00 0.00 C ATOM 1244 O VAL 2 26 8.942 12.325 -5.366 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.930 12.387 -3.027 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.850 13.546 -2.634 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.851 12.852 -4.008 1.00 0.00 C ATOM 0 H VAL 2 26 8.967 11.527 -1.942 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.081 10.351 -3.582 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.432 12.033 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.254 14.361 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.564 13.205 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.388 13.898 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.294 13.680 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.320 13.180 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.170 12.027 -4.218 1.00 0.00 H new ATOM 1257 N THR 2 27 7.561 10.629 -5.938 1.00 0.00 N ATOM 1258 CA THR 2 27 7.851 10.724 -7.359 1.00 0.00 C ATOM 1259 C THR 2 27 6.895 9.836 -8.159 1.00 0.00 C ATOM 1260 O THR 2 27 6.348 8.872 -7.628 1.00 0.00 O ATOM 1261 CB THR 2 27 9.325 10.371 -7.565 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.867 11.514 -8.221 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.520 9.236 -8.574 1.00 0.00 C ATOM 0 H THR 2 27 6.893 9.900 -5.687 1.00 0.00 H new ATOM 0 HA THR 2 27 7.690 11.736 -7.729 1.00 0.00 H new ATOM 0 HB THR 2 27 9.767 10.088 -6.610 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.821 11.371 -8.392 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.584 9.025 -8.683 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.007 8.342 -8.219 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.108 9.532 -9.539 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.721 10.203 -9.457 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.841 9.451 -10.336 1.00 0.00 C ATOM 1273 C PRO 2 28 6.488 8.131 -10.760 1.00 0.00 C ATOM 1274 O PRO 2 28 6.512 7.801 -11.944 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.565 10.381 -11.506 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.663 11.432 -11.471 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.353 11.340 -10.119 1.00 0.00 C ATOM 0 HA PRO 2 28 4.910 9.158 -9.850 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.576 9.836 -12.450 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.581 10.841 -11.416 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.378 11.264 -12.277 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.244 12.427 -11.619 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.426 11.186 -10.232 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.221 12.257 -9.544 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.996 7.413 -9.769 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.642 6.137 -10.025 1.00 0.00 C ATOM 1287 C LYS 2 29 8.055 5.503 -8.695 1.00 0.00 C ATOM 1288 O LYS 2 29 8.300 4.300 -8.627 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.800 6.310 -11.009 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.316 4.953 -11.494 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.375 4.902 -13.021 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.818 3.578 -13.548 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.633 3.641 -15.016 1.00 0.00 N ATOM 0 H LYS 2 29 6.973 7.691 -8.788 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.947 5.448 -10.505 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.471 6.904 -11.862 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.610 6.861 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.308 4.769 -11.082 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.666 4.160 -11.125 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.805 5.732 -13.438 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.406 5.025 -13.353 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.498 2.764 -13.296 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 7.866 3.359 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.254 2.735 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.967 4.405 -15.249 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.548 3.828 -15.473 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.118 6.341 -7.671 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.496 5.879 -6.347 1.00 0.00 C ATOM 1309 C GLU 2 30 7.252 5.663 -5.484 1.00 0.00 C ATOM 1310 O GLU 2 30 7.137 4.650 -4.795 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.464 6.858 -5.680 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.900 6.332 -5.732 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.615 6.816 -6.996 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.086 6.531 -8.091 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.675 7.459 -6.837 1.00 0.00 O ATOM 0 H GLU 2 30 7.913 7.338 -7.732 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.011 4.924 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.409 7.826 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.169 7.017 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.446 6.667 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.893 5.242 -5.708 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.350 6.632 -5.549 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.119 6.562 -4.782 1.00 0.00 C ATOM 1324 C CYS 2 31 4.331 5.336 -5.249 1.00 0.00 C ATOM 1325 O CYS 2 31 4.014 4.456 -4.451 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.299 7.848 -4.907 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.045 9.313 -4.101 1.00 0.00 S ATOM 0 H CYS 2 31 6.448 7.470 -6.122 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.354 6.461 -3.722 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.152 8.068 -5.964 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.312 7.677 -4.477 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.038 5.318 -6.542 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.294 4.215 -7.125 1.00 0.00 C ATOM 1334 C ASN 2 32 4.116 2.931 -7.004 1.00 0.00 C ATOM 1335 O ASN 2 32 3.633 1.848 -7.332 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.018 4.462 -8.610 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.675 5.168 -8.808 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.545 6.289 -8.105 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 0.815 4.725 -9.551 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.303 6.050 -7.201 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.347 4.127 -6.592 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.818 5.068 -9.036 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.017 3.513 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.980 3.858 -10.062 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 -0.069 5.222 -9.661 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.343 3.093 -6.532 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.236 1.960 -6.364 1.00 0.00 C ATOM 1348 C ASN 2 33 6.268 1.557 -4.888 1.00 0.00 C ATOM 1349 O ASN 2 33 6.476 0.388 -4.565 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.663 2.314 -6.788 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.652 1.235 -6.344 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.445 0.049 -6.541 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.734 1.710 -5.735 1.00 0.00 N ATOM 0 H ASN 2 33 5.740 3.993 -6.260 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.867 1.145 -6.987 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.706 2.428 -7.871 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.947 3.273 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.454 1.069 -5.400 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.845 2.715 -5.602 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.059 2.546 -4.032 1.00 0.00 N ATOM 1361 CA ARG 2 34 6.061 2.310 -2.599 1.00 0.00 C ATOM 1362 C ARG 2 34 4.666 1.895 -2.127 1.00 0.00 C ATOM 1363 O ARG 2 34 4.530 1.151 -1.157 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.501 3.559 -1.834 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.310 4.477 -1.555 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.611 4.088 -0.250 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.852 5.122 0.781 1.00 0.00 N ATOM 1368 CZ ARG 2 34 4.533 4.981 2.075 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.960 3.848 2.504 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 4.789 5.972 2.940 1.00 0.00 N ATOM 0 H ARG 2 34 5.887 3.514 -4.304 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.770 1.507 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.969 3.268 -0.894 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.253 4.098 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.650 5.511 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.602 4.421 -2.382 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 3.540 3.976 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.981 3.123 0.097 1.00 0.00 H new ATOM 0 HE ARG 2 34 5.288 5.996 0.489 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.767 3.093 1.846 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 3.717 3.740 3.489 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 5.227 6.834 2.614 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 4.546 5.865 3.925 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.664 2.396 -2.836 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.284 2.086 -2.501 1.00 0.00 C ATOM 1386 C GLY 2 35 1.465 3.366 -2.320 1.00 0.00 C ATOM 1387 O GLY 2 35 0.437 3.358 -1.644 1.00 0.00 O ATOM 0 H GLY 2 35 3.780 3.013 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.843 1.476 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.252 1.496 -1.585 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.952 4.434 -2.934 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.278 5.719 -2.849 1.00 0.00 C ATOM 1393 C CYS 2 36 0.928 6.174 -4.267 1.00 0.00 C ATOM 1394 O CYS 2 36 1.414 5.603 -5.244 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.126 6.755 -2.110 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.528 6.324 -0.378 1.00 0.00 S ATOM 0 H CYS 2 36 2.805 4.436 -3.493 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.363 5.614 -2.267 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.057 6.900 -2.659 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.598 7.709 -2.119 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.089 7.196 -4.337 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.331 7.733 -5.620 1.00 0.00 C ATOM 1403 C CYS 2 37 0.342 9.094 -5.814 1.00 0.00 C ATOM 1404 O CYS 2 37 0.424 9.889 -4.879 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.854 7.831 -5.721 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.580 7.006 -7.185 1.00 0.00 S ATOM 0 H CYS 2 37 -0.312 7.667 -3.526 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.022 7.058 -6.418 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.292 7.397 -4.822 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.136 8.884 -5.737 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.836 7.325 -7.284 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.808 9.319 -7.035 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.472 10.570 -7.363 1.00 0.00 C ATOM 1413 C PHE 2 38 0.481 11.579 -7.946 1.00 0.00 C ATOM 1414 O PHE 2 38 -0.186 11.297 -8.941 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.534 10.249 -8.416 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.511 11.395 -8.683 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.471 11.698 -7.767 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.422 12.111 -9.835 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.378 12.761 -8.015 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.329 13.174 -10.083 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.289 13.477 -9.167 1.00 0.00 C ATOM 0 H PHE 2 38 0.739 8.657 -7.808 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.909 11.007 -6.465 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.097 9.373 -8.094 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.037 9.984 -9.349 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.543 11.130 -6.852 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.660 11.871 -10.562 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.140 13.001 -7.288 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.257 13.742 -10.998 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.980 14.286 -9.355 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.416 12.736 -7.303 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.482 13.789 -7.745 1.00 0.00 C ATOM 1433 C ASP 2 39 -0.028 14.299 -9.115 1.00 0.00 C ATOM 1434 O ASP 2 39 -0.325 13.687 -10.139 1.00 0.00 O ATOM 1435 CB ASP 2 39 -0.468 14.970 -6.772 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.157 16.236 -7.283 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.338 16.122 -7.676 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.487 17.292 -7.269 1.00 0.00 O ATOM 0 H ASP 2 39 0.971 12.967 -6.479 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.489 13.375 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -0.949 14.662 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 0.567 15.210 -6.530 1.00 0.00 H new ATOM 1443 N SER 2 40 0.686 15.415 -9.087 1.00 0.00 N ATOM 1444 CA SER 2 40 1.185 16.014 -10.313 1.00 0.00 C ATOM 1445 C SER 2 40 0.171 17.027 -10.850 1.00 0.00 C ATOM 1446 O SER 2 40 0.469 17.773 -11.782 1.00 0.00 O ATOM 1447 CB SER 2 40 1.479 14.947 -11.368 1.00 0.00 C ATOM 1448 OG SER 2 40 2.495 15.359 -12.277 1.00 0.00 O ATOM 0 H SER 2 40 0.931 15.920 -8.235 1.00 0.00 H new ATOM 0 HA SER 2 40 2.119 16.529 -10.087 1.00 0.00 H new ATOM 0 HB2 SER 2 40 1.787 14.025 -10.875 1.00 0.00 H new ATOM 0 HB3 SER 2 40 0.567 14.724 -11.921 1.00 0.00 H new ATOM 0 HG SER 2 40 2.654 14.649 -12.934 1.00 0.00 H new ATOM 1454 N ARG 2 41 -1.005 17.020 -10.239 1.00 0.00 N ATOM 1455 CA ARG 2 41 -2.063 17.929 -10.645 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.987 19.226 -9.838 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.893 20.312 -10.409 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.441 17.293 -10.446 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.462 15.855 -10.972 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.732 15.586 -11.781 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.436 15.664 -13.229 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.801 14.705 -13.917 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -3.391 13.592 -13.294 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.574 14.860 -15.229 1.00 0.00 N ATOM 0 H ARG 2 41 -1.248 16.400 -9.467 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.925 18.147 -11.704 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.700 17.301 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -4.197 17.884 -10.963 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.585 15.679 -11.595 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.404 15.157 -10.136 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -5.128 14.601 -11.535 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.501 16.313 -11.519 1.00 0.00 H new ATOM 0 HE ARG 2 41 -4.733 16.499 -13.734 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -3.562 13.474 -12.295 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -2.908 12.863 -13.818 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.885 15.708 -15.704 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.091 14.130 -15.753 1.00 0.00 H new ATOM 1478 N ILE 2 42 -2.031 19.071 -8.523 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.968 20.217 -7.631 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.684 20.144 -6.803 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.472 19.185 -6.062 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.240 20.309 -6.787 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.421 19.649 -7.501 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.540 21.760 -6.402 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.726 19.884 -6.735 1.00 0.00 C ATOM 0 H ILE 2 42 -2.110 18.169 -8.053 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.925 21.144 -8.204 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.076 19.758 -5.861 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.510 20.050 -8.511 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.240 18.579 -7.598 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.449 21.797 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.708 22.163 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.676 22.355 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.550 19.405 -7.264 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.642 19.460 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.917 20.955 -6.661 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.162 21.197 -6.960 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.420 21.260 -6.235 1.00 0.00 C ATOM 1499 C PRO 2 43 1.189 21.620 -4.767 1.00 0.00 C ATOM 1500 O PRO 2 43 2.112 21.558 -3.956 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.250 22.295 -6.977 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.264 23.105 -7.804 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.055 22.350 -7.828 1.00 0.00 C ATOM 0 HA PRO 2 43 1.937 20.301 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.792 22.934 -6.280 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.993 21.816 -7.614 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.128 24.097 -7.373 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.641 23.247 -8.817 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.873 22.971 -7.464 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.316 22.040 -8.840 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.048 21.990 -4.469 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.412 22.360 -3.111 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.944 21.153 -2.337 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.155 21.230 -1.128 1.00 0.00 O ATOM 0 H GLY 2 44 -0.811 22.042 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.457 22.772 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.169 23.144 -3.135 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.145 20.065 -3.067 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.648 18.842 -2.464 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.512 17.823 -2.362 1.00 0.00 C ATOM 1521 O VAL 2 45 0.581 18.054 -2.877 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.848 18.322 -3.258 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.495 17.034 -4.003 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -4.061 18.116 -2.348 1.00 0.00 C ATOM 0 H VAL 2 45 -0.969 20.005 -4.070 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.003 19.034 -1.452 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.111 19.076 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.365 16.685 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.675 17.227 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.193 16.270 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.900 17.746 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -3.815 17.391 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -4.334 19.064 -1.885 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.816 16.690 -1.676 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.168 15.635 -1.499 1.00 0.00 C ATOM 1536 C PRO 2 46 0.358 14.841 -2.794 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.573 14.196 -3.274 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.365 14.787 -0.356 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.844 15.121 -0.244 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.099 16.383 -1.052 1.00 0.00 C ATOM 0 HA PRO 2 46 1.160 16.020 -1.262 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.218 13.726 -0.556 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.158 15.012 0.574 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.451 14.298 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.123 15.272 0.799 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.875 16.224 -1.801 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.435 17.201 -0.414 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.571 14.915 -3.322 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.895 14.212 -4.552 1.00 0.00 C ATOM 1550 C TRP 2 47 2.364 12.803 -4.181 1.00 0.00 C ATOM 1551 O TRP 2 47 3.170 12.206 -4.894 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.927 14.989 -5.372 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.128 16.434 -4.910 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.338 17.491 -5.140 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.229 16.940 -4.126 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.847 18.637 -4.563 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.032 18.292 -3.927 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.353 16.278 -3.602 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.919 19.096 -3.201 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.229 17.096 -2.880 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.046 18.458 -2.670 1.00 0.00 C ATOM 0 H TRP 2 47 2.341 15.451 -2.921 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.017 14.130 -5.192 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.882 14.467 -5.324 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.618 14.992 -6.417 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.419 17.452 -5.706 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.429 19.567 -4.598 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.527 15.222 -3.745 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.743 20.152 -3.058 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.110 16.637 -2.456 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.770 19.021 -2.100 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.842 12.314 -3.066 1.00 0.00 N ATOM 1573 CA CYS 2 48 2.198 10.988 -2.593 1.00 0.00 C ATOM 1574 C CYS 2 48 1.229 10.603 -1.472 1.00 0.00 C ATOM 1575 O CYS 2 48 1.456 10.937 -0.309 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.656 10.923 -2.135 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.431 9.270 -2.272 1.00 0.00 S ATOM 0 H CYS 2 48 1.175 12.813 -2.477 1.00 0.00 H new ATOM 0 HA CYS 2 48 2.111 10.272 -3.410 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.239 11.632 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.711 11.250 -1.096 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.172 9.905 -1.860 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.830 9.470 -0.902 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.201 8.002 -1.124 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.558 7.308 -1.910 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.070 10.337 -1.129 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.231 10.829 -2.569 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.287 11.640 -3.120 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.316 10.455 -3.299 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.437 12.095 -4.457 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.465 10.912 -4.635 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.522 11.722 -5.185 1.00 0.00 C ATOM 0 H PHE 2 49 -0.012 9.630 -2.825 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.443 9.569 0.112 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -2.956 9.766 -0.850 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.024 11.200 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.425 11.937 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.064 9.810 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.688 12.738 -4.895 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.327 10.616 -5.214 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.635 12.069 -6.201 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.237 7.574 -0.419 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.701 6.201 -0.528 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.205 6.197 -0.813 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.000 5.804 0.039 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.307 5.401 0.714 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.919 6.013 1.976 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.851 6.707 2.823 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.704 5.749 3.150 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.549 5.606 4.614 1.00 0.00 N ATOM 0 H LYS 2 50 -2.769 8.154 0.230 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.216 5.700 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -2.641 4.369 0.607 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.221 5.377 0.807 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.691 6.731 1.699 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.404 5.234 2.564 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.464 7.574 2.288 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.297 7.075 3.747 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.898 4.774 2.702 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.224 6.121 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.414 5.280 4.831 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.715 6.525 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.238 4.913 4.970 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.558 6.650 -2.046 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.952 6.702 -2.453 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.481 5.303 -2.777 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.969 4.600 -1.893 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.978 7.639 -3.649 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.545 7.710 -4.154 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.644 7.123 -3.080 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.608 7.068 -1.663 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.647 7.265 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.341 8.626 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.440 7.154 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.265 8.742 -4.365 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.037 6.308 -3.475 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.956 7.872 -2.688 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.367 4.942 -4.046 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.828 3.640 -4.498 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.626 2.708 -4.664 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.559 1.940 -5.622 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.675 3.782 -5.765 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.923 3.661 -7.092 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.231 2.327 -7.776 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.220 4.854 -8.001 1.00 0.00 C ATOM 0 H LEU 2 52 -5.962 5.528 -4.776 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.483 3.188 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.457 3.023 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.172 4.752 -5.739 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.854 3.676 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.684 2.266 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.928 1.506 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.301 2.257 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.673 4.743 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.289 4.896 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.910 5.774 -7.506 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.707 2.806 -3.714 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.512 1.981 -3.743 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.886 0.509 -3.927 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.038 -0.315 -4.265 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.678 2.179 -2.475 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.231 3.636 -2.335 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.364 4.059 -3.523 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.400 5.190 -3.978 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.587 3.090 -3.998 1.00 0.00 N ATOM 0 H GLN 2 53 -4.766 3.444 -2.920 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.903 2.290 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.262 1.889 -1.602 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.804 1.528 -2.505 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.105 4.284 -2.269 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.671 3.761 -1.408 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.606 2.165 -3.569 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.028 3.272 -4.791 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.160 0.222 -3.696 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.658 -1.136 -3.832 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.121 -1.771 -5.117 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.073 -2.995 -5.236 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.188 -1.165 -3.804 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.774 -0.082 -4.712 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.044 -0.577 -5.405 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.896 -1.249 -6.447 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -10.135 -0.270 -4.877 1.00 0.00 O ATOM 0 H GLU 2 54 -5.861 0.907 -3.416 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.301 -1.720 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.543 -2.145 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.539 -1.018 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.999 0.808 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.037 0.209 -5.460 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.732 -0.911 -6.046 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.202 -1.373 -7.318 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.395 -2.654 -7.094 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.789 -3.727 -7.548 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.365 -0.262 -7.956 1.00 0.00 C ATOM 0 H ALA 2 55 -4.773 0.103 -5.944 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.012 -1.609 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.967 -0.608 -8.910 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.990 0.616 -8.120 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.540 -0.001 -7.293 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.281 -2.499 -6.395 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.416 -3.631 -6.105 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.983 -3.606 -4.638 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.015 -4.264 -4.262 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.202 -3.644 -7.035 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.437 -4.569 -8.230 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.272 -3.814 -9.550 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -1.012 -2.823 -9.732 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.589 -4.244 -10.347 1.00 0.00 O ATOM 0 H GLU 2 56 -1.957 -1.607 -6.021 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.978 -4.548 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.001 -2.633 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.679 -3.973 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.265 -5.402 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.439 -4.994 -8.173 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.721 -2.839 -3.848 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.426 -2.719 -2.431 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.271 -3.747 -1.676 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.750 -4.756 -1.201 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.667 -1.297 -1.921 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.764 -0.869 -0.388 1.00 0.00 S ATOM 0 H CYS 2 57 -2.523 -2.294 -4.164 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.369 -2.922 -2.259 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.382 -0.593 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.735 -1.165 -1.746 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.560 -3.457 -1.588 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.482 -4.343 -0.898 1.00 0.00 C ATOM 1726 C THR 2 58 -4.287 -5.786 -1.369 1.00 0.00 C ATOM 1727 O THR 2 58 -4.421 -6.722 -0.582 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.901 -3.818 -1.123 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.722 -4.691 -0.353 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.382 -4.025 -2.560 1.00 0.00 C ATOM 0 H THR 2 58 -3.989 -2.620 -1.983 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.291 -4.355 0.175 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.937 -2.756 -0.878 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.660 -4.421 -0.441 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.394 -3.635 -2.665 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.718 -3.499 -3.245 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.377 -5.089 -2.795 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.973 -5.920 -2.649 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.759 -7.232 -3.234 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.202 -8.210 -2.197 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.862 -9.345 -2.528 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.733 -7.060 -4.357 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.180 -7.635 -5.702 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -3.992 -6.909 -6.516 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.767 -8.873 -6.083 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -4.408 -7.442 -7.764 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.182 -9.406 -7.332 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -3.994 -8.680 -8.146 1.00 0.00 C ATOM 0 H PHE 2 59 -3.862 -5.141 -3.298 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.703 -7.633 -3.603 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.519 -5.998 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.801 -7.540 -4.060 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -4.321 -5.926 -6.213 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.124 -9.451 -5.436 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.053 -6.865 -8.410 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.852 -10.389 -7.636 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.310 -9.086 -9.095 1.00 0.00 H new