USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 23 TYR OH : rot 43:sc= -0.803! USER MOD Set 1.2: 2 23 TYR OH : rot -78:sc= -0.848! USER MOD Single : 1 25 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.0073) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.201 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.374 F(o=-2.6,f=-0.37) USER MOD Single : 1 33 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.05) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.0965 USER MOD Single : 1 40 SER OG : rot 115:sc= 0.57 USER MOD Single : 1 50 LYS NZ :NH3+ -158:sc= 0.153 (180deg=-0.895) USER MOD Single : 1 53 GLN : amide:sc= -13! C(o=-13!,f=-20!) USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 2 25 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.23) USER MOD Single : 2 27 THR OG1 : rot 180:sc= 0 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.24 F(o=-1.7,f=-0.24) USER MOD Single : 2 33 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.067) USER MOD Single : 2 37 CYS SG : rot 180:sc= 0 USER MOD Single : 2 40 SER OG : rot 180:sc= -0.334 USER MOD Single : 2 50 LYS NZ :NH3+ 147:sc= 1.03 (180deg=0.827) USER MOD Single : 2 53 GLN : amide:sc= -11.5! C(o=-11!,f=-13!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.360 -16.516 -2.370 1.00 0.00 N ATOM 229 CA ASP 1 17 1.326 -15.810 -3.108 1.00 0.00 C ATOM 230 C ASP 1 17 1.589 -14.305 -3.031 1.00 0.00 C ATOM 231 O ASP 1 17 1.174 -13.553 -3.912 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.057 -16.080 -2.512 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.233 -15.733 -3.426 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.163 -16.117 -4.614 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.178 -15.091 -2.918 1.00 0.00 O ATOM 0 HA ASP 1 17 1.348 -16.160 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.122 -17.135 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.155 -15.512 -1.587 1.00 0.00 H new ATOM 240 N ARG 1 18 2.277 -13.910 -1.970 1.00 0.00 N ATOM 241 CA ARG 1 18 2.599 -12.508 -1.767 1.00 0.00 C ATOM 242 C ARG 1 18 3.128 -11.892 -3.064 1.00 0.00 C ATOM 243 O ARG 1 18 3.317 -12.593 -4.056 1.00 0.00 O ATOM 244 CB ARG 1 18 3.647 -12.337 -0.665 1.00 0.00 C ATOM 245 CG ARG 1 18 3.188 -13.000 0.635 1.00 0.00 C ATOM 246 CD ARG 1 18 4.346 -13.728 1.318 1.00 0.00 C ATOM 247 NE ARG 1 18 3.878 -14.362 2.572 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.678 -14.674 3.600 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.991 -14.413 3.531 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.165 -15.246 4.698 1.00 0.00 N ATOM 0 H ARG 1 18 2.620 -14.536 -1.242 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.684 -11.998 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.592 -12.774 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.829 -11.276 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.781 -12.245 1.308 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.385 -13.706 0.424 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.755 -14.485 0.649 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.151 -13.025 1.535 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.884 -14.574 2.658 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.381 -13.977 2.696 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.600 -14.651 4.314 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.166 -15.444 4.751 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.774 -15.484 5.481 1.00 0.00 H new ATOM 264 N VAL 1 19 3.352 -10.587 -3.013 1.00 0.00 N ATOM 265 CA VAL 1 19 3.855 -9.868 -4.172 1.00 0.00 C ATOM 266 C VAL 1 19 5.295 -9.426 -3.906 1.00 0.00 C ATOM 267 O VAL 1 19 5.804 -8.525 -4.571 1.00 0.00 O ATOM 268 CB VAL 1 19 2.924 -8.703 -4.510 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.481 -7.875 -5.671 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.511 -9.201 -4.819 1.00 0.00 C ATOM 0 H VAL 1 19 3.195 -10.009 -2.188 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.871 -10.517 -5.047 1.00 0.00 H new ATOM 0 HB VAL 1 19 2.866 -8.056 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.800 -7.053 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.457 -7.474 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.583 -8.508 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.870 -8.352 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.543 -9.881 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.112 -9.726 -3.951 1.00 0.00 H new ATOM 280 N ASP 1 20 5.912 -10.080 -2.933 1.00 0.00 N ATOM 281 CA ASP 1 20 7.284 -9.765 -2.570 1.00 0.00 C ATOM 282 C ASP 1 20 7.523 -8.265 -2.753 1.00 0.00 C ATOM 283 O ASP 1 20 7.888 -7.819 -3.840 1.00 0.00 O ATOM 284 CB ASP 1 20 8.275 -10.515 -3.463 1.00 0.00 C ATOM 285 CG ASP 1 20 9.628 -9.826 -3.646 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.378 -9.773 -2.647 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.883 -9.367 -4.781 1.00 0.00 O ATOM 0 H ASP 1 20 5.487 -10.827 -2.384 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.436 -10.063 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.443 -11.506 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.821 -10.658 -4.444 1.00 0.00 H new ATOM 292 N CYS 1 21 7.308 -7.528 -1.674 1.00 0.00 N ATOM 293 CA CYS 1 21 7.497 -6.088 -1.701 1.00 0.00 C ATOM 294 C CYS 1 21 8.925 -5.798 -2.169 1.00 0.00 C ATOM 295 O CYS 1 21 9.168 -4.810 -2.857 1.00 0.00 O ATOM 296 CB CYS 1 21 7.202 -5.453 -0.341 1.00 0.00 C ATOM 297 SG CYS 1 21 6.038 -4.041 -0.389 1.00 0.00 S ATOM 0 H CYS 1 21 7.004 -7.901 -0.775 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.790 -5.640 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.796 -6.218 0.321 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.141 -5.117 0.099 1.00 0.00 H new ATOM 302 N GLY 1 22 9.832 -6.681 -1.774 1.00 0.00 N ATOM 303 CA GLY 1 22 11.229 -6.532 -2.143 1.00 0.00 C ATOM 304 C GLY 1 22 11.786 -5.193 -1.658 1.00 0.00 C ATOM 305 O GLY 1 22 12.303 -4.407 -2.452 1.00 0.00 O ATOM 0 H GLY 1 22 9.626 -7.501 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.811 -7.348 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.332 -6.602 -3.226 1.00 0.00 H new ATOM 309 N TYR 1 23 11.660 -4.972 -0.358 1.00 0.00 N ATOM 310 CA TYR 1 23 12.145 -3.740 0.243 1.00 0.00 C ATOM 311 C TYR 1 23 13.593 -3.891 0.710 1.00 0.00 C ATOM 312 O TYR 1 23 13.982 -4.946 1.210 1.00 0.00 O ATOM 313 CB TYR 1 23 11.252 -3.485 1.459 1.00 0.00 C ATOM 314 CG TYR 1 23 10.818 -2.026 1.618 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.521 -1.270 0.502 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.723 -1.468 2.876 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.112 0.102 0.651 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.314 -0.095 3.025 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.029 0.622 1.905 1.00 0.00 C ATOM 320 OH TYR 1 23 9.643 1.919 2.046 1.00 0.00 O ATOM 0 H TYR 1 23 11.229 -5.625 0.297 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.114 -2.923 -0.477 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.363 -4.111 1.382 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.783 -3.795 2.359 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.595 -1.708 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.955 -2.060 3.749 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.876 0.705 -0.213 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.235 0.355 4.004 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.891 2.104 1.445 1.00 0.00 H new ATOM 330 N PRO 1 24 14.373 -2.792 0.527 1.00 0.00 N ATOM 331 CA PRO 1 24 15.772 -2.791 0.924 1.00 0.00 C ATOM 332 C PRO 1 24 15.909 -2.679 2.444 1.00 0.00 C ATOM 333 O PRO 1 24 17.001 -2.842 2.985 1.00 0.00 O ATOM 334 CB PRO 1 24 16.390 -1.618 0.183 1.00 0.00 C ATOM 335 CG PRO 1 24 15.231 -0.729 -0.234 1.00 0.00 C ATOM 336 CD PRO 1 24 13.947 -1.526 -0.061 1.00 0.00 C ATOM 0 HA PRO 1 24 16.283 -3.719 0.669 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.087 -1.076 0.822 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.953 -1.958 -0.686 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.205 0.175 0.375 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.347 -0.412 -1.270 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.242 -1.006 0.587 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.446 -1.682 -1.016 1.00 0.00 H new ATOM 344 N HIS 1 25 14.786 -2.399 3.089 1.00 0.00 N ATOM 345 CA HIS 1 25 14.768 -2.262 4.535 1.00 0.00 C ATOM 346 C HIS 1 25 13.674 -3.157 5.121 1.00 0.00 C ATOM 347 O HIS 1 25 12.970 -2.757 6.047 1.00 0.00 O ATOM 348 CB HIS 1 25 14.614 -0.795 4.940 1.00 0.00 C ATOM 349 CG HIS 1 25 15.886 0.010 4.825 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.899 1.394 4.804 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.187 -0.388 4.724 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.155 1.800 4.695 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.952 0.695 4.646 1.00 0.00 N ATOM 0 H HIS 1 25 13.882 -2.263 2.636 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.721 -2.594 4.947 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.847 -0.335 4.316 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.258 -0.748 5.969 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.536 -1.410 4.710 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.489 2.826 4.652 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.969 0.699 4.563 1.00 0.00 H new ATOM 362 N VAL 1 26 13.565 -4.351 4.558 1.00 0.00 N ATOM 363 CA VAL 1 26 12.569 -5.305 5.013 1.00 0.00 C ATOM 364 C VAL 1 26 12.783 -5.590 6.501 1.00 0.00 C ATOM 365 O VAL 1 26 13.838 -6.083 6.897 1.00 0.00 O ATOM 366 CB VAL 1 26 12.621 -6.568 4.150 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.066 -6.956 3.832 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.879 -7.724 4.824 1.00 0.00 C ATOM 0 H VAL 1 26 14.151 -4.680 3.790 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.567 -4.892 4.902 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.117 -6.350 3.208 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.074 -7.856 3.218 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.550 -6.143 3.291 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.605 -7.145 4.761 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.931 -8.609 4.190 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.341 -7.940 5.787 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.836 -7.447 4.976 1.00 0.00 H new ATOM 378 N THR 1 27 11.766 -5.265 7.285 1.00 0.00 N ATOM 379 CA THR 1 27 11.829 -5.480 8.721 1.00 0.00 C ATOM 380 C THR 1 27 10.452 -5.273 9.353 1.00 0.00 C ATOM 381 O THR 1 27 9.618 -4.550 8.810 1.00 0.00 O ATOM 382 CB THR 1 27 12.904 -4.551 9.290 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.745 -5.417 10.049 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.345 -3.574 10.326 1.00 0.00 C ATOM 0 H THR 1 27 10.893 -4.854 6.953 1.00 0.00 H new ATOM 0 HA THR 1 27 12.108 -6.507 8.955 1.00 0.00 H new ATOM 0 HB THR 1 27 13.368 -3.992 8.477 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.471 -4.897 10.452 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.149 -2.938 10.698 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.576 -2.954 9.864 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.911 -4.132 11.155 1.00 0.00 H new ATOM 392 N PRO 1 28 10.250 -5.939 10.521 1.00 0.00 N ATOM 393 CA PRO 1 28 8.987 -5.836 11.233 1.00 0.00 C ATOM 394 C PRO 1 28 8.865 -4.485 11.942 1.00 0.00 C ATOM 395 O PRO 1 28 8.695 -4.431 13.158 1.00 0.00 O ATOM 396 CB PRO 1 28 8.980 -7.013 12.195 1.00 0.00 C ATOM 397 CG PRO 1 28 10.428 -7.460 12.317 1.00 0.00 C ATOM 398 CD PRO 1 28 11.214 -6.804 11.194 1.00 0.00 C ATOM 0 HA PRO 1 28 8.125 -5.877 10.567 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.578 -6.722 13.165 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.352 -7.821 11.819 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.836 -7.173 13.286 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.499 -8.546 12.250 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.056 -6.231 11.583 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.623 -7.548 10.510 1.00 0.00 H new ATOM 406 N LYS 1 29 8.959 -3.427 11.150 1.00 0.00 N ATOM 407 CA LYS 1 29 8.861 -2.080 11.686 1.00 0.00 C ATOM 408 C LYS 1 29 8.985 -1.071 10.542 1.00 0.00 C ATOM 409 O LYS 1 29 8.477 0.046 10.638 1.00 0.00 O ATOM 410 CB LYS 1 29 9.886 -1.872 12.802 1.00 0.00 C ATOM 411 CG LYS 1 29 9.706 -0.504 13.464 1.00 0.00 C ATOM 412 CD LYS 1 29 9.722 -0.627 14.988 1.00 0.00 C ATOM 413 CE LYS 1 29 11.153 -0.575 15.528 1.00 0.00 C ATOM 414 NZ LYS 1 29 11.640 -1.938 15.838 1.00 0.00 N ATOM 0 H LYS 1 29 9.102 -3.475 10.141 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.886 -1.923 12.147 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.780 -2.658 13.549 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.894 -1.953 12.395 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.501 0.168 13.141 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.764 -0.061 13.141 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.134 0.179 15.428 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.251 -1.564 15.286 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 11.808 -0.107 14.794 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 11.187 0.043 16.425 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 12.612 -1.885 16.203 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 11.024 -2.372 16.555 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 11.626 -2.516 14.974 1.00 0.00 H new ATOM 428 N GLU 1 30 9.660 -1.500 9.487 1.00 0.00 N ATOM 429 CA GLU 1 30 9.856 -0.648 8.326 1.00 0.00 C ATOM 430 C GLU 1 30 8.829 -0.983 7.242 1.00 0.00 C ATOM 431 O GLU 1 30 8.213 -0.087 6.667 1.00 0.00 O ATOM 432 CB GLU 1 30 11.283 -0.774 7.788 1.00 0.00 C ATOM 433 CG GLU 1 30 12.141 0.414 8.226 1.00 0.00 C ATOM 434 CD GLU 1 30 12.965 0.066 9.468 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.730 -0.919 9.384 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.810 0.792 10.474 1.00 0.00 O ATOM 0 H GLU 1 30 10.079 -2.427 9.411 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.708 0.388 8.631 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.730 -1.701 8.146 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.261 -0.830 6.700 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.806 0.706 7.414 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.501 1.271 8.438 1.00 0.00 H new ATOM 443 N CYS 1 31 8.677 -2.276 6.995 1.00 0.00 N ATOM 444 CA CYS 1 31 7.736 -2.741 5.990 1.00 0.00 C ATOM 445 C CYS 1 31 6.325 -2.362 6.443 1.00 0.00 C ATOM 446 O CYS 1 31 5.590 -1.701 5.710 1.00 0.00 O ATOM 447 CB CYS 1 31 7.872 -4.244 5.740 1.00 0.00 C ATOM 448 SG CYS 1 31 9.146 -4.705 4.511 1.00 0.00 S ATOM 0 H CYS 1 31 9.190 -3.016 7.474 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.951 -2.261 5.036 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.104 -4.736 6.685 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.909 -4.631 5.407 1.00 0.00 H new ATOM 453 N ASN 1 32 5.989 -2.797 7.648 1.00 0.00 N ATOM 454 CA ASN 1 32 4.677 -2.512 8.207 1.00 0.00 C ATOM 455 C ASN 1 32 4.526 -1.002 8.396 1.00 0.00 C ATOM 456 O ASN 1 32 3.456 -0.523 8.769 1.00 0.00 O ATOM 457 CB ASN 1 32 4.505 -3.179 9.573 1.00 0.00 C ATOM 458 CG ASN 1 32 3.769 -4.514 9.443 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.387 -5.398 8.665 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.710 -4.727 10.010 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.601 -3.344 8.253 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.925 -2.899 7.519 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.482 -3.341 10.028 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.950 -2.517 10.238 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.289 -4.004 10.593 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.245 -5.628 9.901 1.00 0.00 H new ATOM 467 N ASN 1 33 5.612 -0.292 8.130 1.00 0.00 N ATOM 468 CA ASN 1 33 5.613 1.155 8.265 1.00 0.00 C ATOM 469 C ASN 1 33 5.607 1.794 6.875 1.00 0.00 C ATOM 470 O ASN 1 33 5.114 2.908 6.702 1.00 0.00 O ATOM 471 CB ASN 1 33 6.865 1.639 9.000 1.00 0.00 C ATOM 472 CG ASN 1 33 6.973 3.163 8.956 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.076 3.887 9.356 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.117 3.611 8.447 1.00 0.00 N ATOM 0 H ASN 1 33 6.498 -0.692 7.821 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.727 1.440 8.833 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.835 1.303 10.037 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.751 1.195 8.547 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.284 4.615 8.373 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.827 2.951 8.130 1.00 0.00 H new ATOM 481 N ARG 1 34 6.157 1.060 5.918 1.00 0.00 N ATOM 482 CA ARG 1 34 6.220 1.541 4.549 1.00 0.00 C ATOM 483 C ARG 1 34 4.924 1.203 3.808 1.00 0.00 C ATOM 484 O ARG 1 34 4.515 1.929 2.904 1.00 0.00 O ATOM 485 CB ARG 1 34 7.403 0.922 3.802 1.00 0.00 C ATOM 486 CG ARG 1 34 7.025 -0.434 3.202 1.00 0.00 C ATOM 487 CD ARG 1 34 6.360 -0.262 1.835 1.00 0.00 C ATOM 488 NE ARG 1 34 7.226 -0.825 0.776 1.00 0.00 N ATOM 489 CZ ARG 1 34 6.809 -1.101 -0.468 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.537 -0.865 -0.816 1.00 0.00 N ATOM 491 NH2 ARG 1 34 7.666 -1.610 -1.364 1.00 0.00 N ATOM 0 H ARG 1 34 6.563 0.136 6.064 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.352 2.622 4.583 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.730 1.596 3.010 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.244 0.800 4.484 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.917 -1.053 3.101 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.348 -0.958 3.876 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.391 -0.761 1.827 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 6.175 0.795 1.642 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.201 -1.015 1.007 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 4.886 -0.475 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.220 -1.075 -1.762 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.635 -1.787 -1.099 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.349 -1.820 -2.311 1.00 0.00 H new ATOM 505 N GLY 1 35 4.316 0.099 4.218 1.00 0.00 N ATOM 506 CA GLY 1 35 3.076 -0.344 3.605 1.00 0.00 C ATOM 507 C GLY 1 35 3.172 -1.808 3.169 1.00 0.00 C ATOM 508 O GLY 1 35 2.435 -2.246 2.288 1.00 0.00 O ATOM 0 H GLY 1 35 4.660 -0.502 4.967 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.254 -0.224 4.311 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.849 0.282 2.742 1.00 0.00 H new ATOM 512 N CYS 1 36 4.087 -2.522 3.808 1.00 0.00 N ATOM 513 CA CYS 1 36 4.288 -3.928 3.498 1.00 0.00 C ATOM 514 C CYS 1 36 4.045 -4.740 4.772 1.00 0.00 C ATOM 515 O CYS 1 36 3.834 -4.173 5.844 1.00 0.00 O ATOM 516 CB CYS 1 36 5.678 -4.185 2.914 1.00 0.00 C ATOM 517 SG CYS 1 36 6.023 -3.316 1.341 1.00 0.00 S ATOM 0 H CYS 1 36 4.697 -2.154 4.538 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.580 -4.239 2.730 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.426 -3.887 3.649 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.797 -5.257 2.754 1.00 0.00 H new ATOM 522 N CYS 1 37 4.083 -6.054 4.614 1.00 0.00 N ATOM 523 CA CYS 1 37 3.871 -6.950 5.737 1.00 0.00 C ATOM 524 C CYS 1 37 5.114 -7.828 5.896 1.00 0.00 C ATOM 525 O CYS 1 37 5.538 -8.486 4.946 1.00 0.00 O ATOM 526 CB CYS 1 37 2.601 -7.786 5.562 1.00 0.00 C ATOM 527 SG CYS 1 37 1.827 -8.343 7.124 1.00 0.00 S ATOM 0 H CYS 1 37 4.258 -6.520 3.724 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.722 -6.367 6.646 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.873 -7.201 5.000 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.840 -8.662 4.959 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.762 -9.038 6.857 1.00 0.00 H new ATOM 532 N PHE 1 38 5.663 -7.808 7.101 1.00 0.00 N ATOM 533 CA PHE 1 38 6.850 -8.594 7.395 1.00 0.00 C ATOM 534 C PHE 1 38 6.473 -9.979 7.926 1.00 0.00 C ATOM 535 O PHE 1 38 5.799 -10.092 8.948 1.00 0.00 O ATOM 536 CB PHE 1 38 7.629 -7.840 8.476 1.00 0.00 C ATOM 537 CG PHE 1 38 8.981 -8.468 8.820 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.053 -8.263 8.007 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.112 -9.231 9.937 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.307 -8.845 8.326 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.367 -9.813 10.257 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.438 -9.608 9.444 1.00 0.00 C ATOM 0 H PHE 1 38 5.309 -7.260 7.885 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.440 -8.731 6.489 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.790 -6.814 8.145 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.022 -7.791 9.380 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.949 -7.657 7.119 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.261 -9.395 10.582 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.158 -8.682 7.681 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.471 -10.418 11.145 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.393 -10.051 9.686 1.00 0.00 H new ATOM 552 N ASP 1 39 6.924 -10.996 7.208 1.00 0.00 N ATOM 553 CA ASP 1 39 6.643 -12.368 7.594 1.00 0.00 C ATOM 554 C ASP 1 39 7.715 -12.847 8.576 1.00 0.00 C ATOM 555 O ASP 1 39 7.523 -12.781 9.789 1.00 0.00 O ATOM 556 CB ASP 1 39 6.666 -13.298 6.380 1.00 0.00 C ATOM 557 CG ASP 1 39 6.584 -14.790 6.706 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.486 -15.223 7.117 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.623 -15.466 6.537 1.00 0.00 O ATOM 0 H ASP 1 39 7.483 -10.898 6.360 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.653 -12.394 8.049 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.833 -13.038 5.727 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.582 -13.114 5.818 1.00 0.00 H new ATOM 564 N SER 1 40 8.818 -13.317 8.015 1.00 0.00 N ATOM 565 CA SER 1 40 9.921 -13.807 8.826 1.00 0.00 C ATOM 566 C SER 1 40 9.716 -15.289 9.148 1.00 0.00 C ATOM 567 O SER 1 40 10.651 -15.973 9.557 1.00 0.00 O ATOM 568 CB SER 1 40 10.056 -12.997 10.117 1.00 0.00 C ATOM 569 OG SER 1 40 11.418 -12.813 10.491 1.00 0.00 O ATOM 0 H SER 1 40 8.973 -13.369 7.008 1.00 0.00 H new ATOM 0 HA SER 1 40 10.843 -13.690 8.257 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.581 -12.025 9.986 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.525 -13.506 10.921 1.00 0.00 H new ATOM 0 HG SER 1 40 11.647 -11.862 10.435 1.00 0.00 H new ATOM 575 N ARG 1 41 8.486 -15.739 8.950 1.00 0.00 N ATOM 576 CA ARG 1 41 8.146 -17.127 9.214 1.00 0.00 C ATOM 577 C ARG 1 41 8.958 -18.054 8.307 1.00 0.00 C ATOM 578 O ARG 1 41 9.519 -19.045 8.770 1.00 0.00 O ATOM 579 CB ARG 1 41 6.654 -17.382 8.988 1.00 0.00 C ATOM 580 CG ARG 1 41 5.801 -16.410 9.806 1.00 0.00 C ATOM 581 CD ARG 1 41 4.398 -16.972 10.036 1.00 0.00 C ATOM 582 NE ARG 1 41 3.710 -17.162 8.739 1.00 0.00 N ATOM 583 CZ ARG 1 41 2.664 -17.979 8.556 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.178 -18.686 9.585 1.00 0.00 N ATOM 585 NH2 ARG 1 41 2.103 -18.089 7.344 1.00 0.00 N ATOM 0 H ARG 1 41 7.713 -15.167 8.610 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.384 -17.334 10.257 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.419 -17.275 7.929 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.411 -18.407 9.266 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.281 -16.218 10.765 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.733 -15.454 9.286 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 4.460 -17.922 10.567 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.824 -16.292 10.666 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.054 -16.638 7.934 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.604 -18.602 10.508 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.382 -19.308 9.446 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 2.472 -17.551 6.560 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 1.307 -18.711 7.205 1.00 0.00 H new ATOM 599 N ILE 1 42 8.993 -17.698 7.031 1.00 0.00 N ATOM 600 CA ILE 1 42 9.727 -18.487 6.055 1.00 0.00 C ATOM 601 C ILE 1 42 10.798 -17.611 5.402 1.00 0.00 C ATOM 602 O ILE 1 42 10.480 -16.629 4.735 1.00 0.00 O ATOM 603 CB ILE 1 42 8.765 -19.132 5.055 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.389 -19.355 5.684 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.353 -20.424 4.486 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.526 -20.263 4.806 1.00 0.00 C ATOM 0 H ILE 1 42 8.526 -16.875 6.651 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.244 -19.314 6.542 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.628 -18.446 4.219 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.505 -19.801 6.672 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.889 -18.396 5.824 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.650 -20.863 3.778 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.291 -20.203 3.977 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.538 -21.128 5.297 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.553 -20.406 5.276 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.392 -19.802 3.827 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.017 -21.229 4.688 1.00 0.00 H new ATOM 618 N PRO 1 43 12.080 -18.010 5.623 1.00 0.00 N ATOM 619 CA PRO 1 43 13.200 -17.273 5.062 1.00 0.00 C ATOM 620 C PRO 1 43 13.338 -17.541 3.563 1.00 0.00 C ATOM 621 O PRO 1 43 14.129 -16.890 2.883 1.00 0.00 O ATOM 622 CB PRO 1 43 14.410 -17.729 5.862 1.00 0.00 C ATOM 623 CG PRO 1 43 14.005 -19.038 6.522 1.00 0.00 C ATOM 624 CD PRO 1 43 12.494 -19.169 6.408 1.00 0.00 C ATOM 0 HA PRO 1 43 13.073 -16.193 5.137 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.276 -17.870 5.215 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.688 -16.985 6.608 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.499 -19.879 6.036 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.311 -19.049 7.568 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.213 -20.101 5.917 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.021 -19.171 7.390 1.00 0.00 H new ATOM 632 N GLY 1 44 12.557 -18.503 3.092 1.00 0.00 N ATOM 633 CA GLY 1 44 12.583 -18.865 1.685 1.00 0.00 C ATOM 634 C GLY 1 44 11.520 -18.094 0.901 1.00 0.00 C ATOM 635 O GLY 1 44 11.432 -18.217 -0.320 1.00 0.00 O ATOM 0 H GLY 1 44 11.903 -19.042 3.659 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.569 -18.656 1.270 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.413 -19.936 1.578 1.00 0.00 H new ATOM 639 N VAL 1 45 10.737 -17.315 1.634 1.00 0.00 N ATOM 640 CA VAL 1 45 9.683 -16.525 1.022 1.00 0.00 C ATOM 641 C VAL 1 45 9.948 -15.041 1.284 1.00 0.00 C ATOM 642 O VAL 1 45 10.937 -14.686 1.922 1.00 0.00 O ATOM 643 CB VAL 1 45 8.317 -16.988 1.534 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.319 -18.490 1.820 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.899 -16.194 2.774 1.00 0.00 C ATOM 0 H VAL 1 45 10.812 -17.215 2.646 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.676 -16.669 -0.058 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.583 -16.798 0.751 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.337 -18.793 2.182 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.552 -19.034 0.905 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.070 -18.715 2.577 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.925 -16.542 3.118 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.636 -16.339 3.564 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.838 -15.135 2.524 1.00 0.00 H new ATOM 655 N PRO 1 46 9.022 -14.191 0.763 1.00 0.00 N ATOM 656 CA PRO 1 46 9.146 -12.753 0.933 1.00 0.00 C ATOM 657 C PRO 1 46 8.778 -12.337 2.359 1.00 0.00 C ATOM 658 O PRO 1 46 7.653 -12.560 2.803 1.00 0.00 O ATOM 659 CB PRO 1 46 8.227 -12.153 -0.117 1.00 0.00 C ATOM 660 CG PRO 1 46 7.275 -13.264 -0.524 1.00 0.00 C ATOM 661 CD PRO 1 46 7.838 -14.575 0.001 1.00 0.00 C ATOM 0 HA PRO 1 46 10.168 -12.399 0.797 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.681 -11.299 0.284 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.796 -11.793 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.281 -13.084 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.171 -13.300 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.114 -15.094 0.629 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.094 -15.251 -0.815 1.00 0.00 H new ATOM 669 N TRP 1 47 9.747 -11.738 3.035 1.00 0.00 N ATOM 670 CA TRP 1 47 9.539 -11.287 4.401 1.00 0.00 C ATOM 671 C TRP 1 47 9.074 -9.831 4.353 1.00 0.00 C ATOM 672 O TRP 1 47 9.265 -9.083 5.310 1.00 0.00 O ATOM 673 CB TRP 1 47 10.801 -11.485 5.242 1.00 0.00 C ATOM 674 CG TRP 1 47 11.850 -12.387 4.588 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.827 -13.720 4.458 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.086 -11.963 3.975 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.953 -14.185 3.810 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.743 -13.082 3.506 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.631 -10.676 3.821 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.979 -13.028 2.852 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.868 -10.639 3.166 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.541 -11.757 2.688 1.00 0.00 C ATOM 0 H TRP 1 47 10.679 -11.554 2.662 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.768 -11.882 4.890 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.248 -10.511 5.442 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.520 -11.911 6.205 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.027 -14.352 4.816 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.166 -15.159 3.594 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.135 -9.786 4.180 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.472 -13.919 2.493 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.332 -9.674 3.022 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.494 -11.645 2.192 1.00 0.00 H new ATOM 693 N CYS 1 48 8.473 -9.472 3.228 1.00 0.00 N ATOM 694 CA CYS 1 48 7.980 -8.117 3.042 1.00 0.00 C ATOM 695 C CYS 1 48 7.113 -8.090 1.782 1.00 0.00 C ATOM 696 O CYS 1 48 7.625 -8.217 0.671 1.00 0.00 O ATOM 697 CB CYS 1 48 9.123 -7.103 2.972 1.00 0.00 C ATOM 698 SG CYS 1 48 8.594 -5.354 2.878 1.00 0.00 S ATOM 0 H CYS 1 48 8.316 -10.095 2.436 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.377 -7.825 3.902 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.756 -7.230 3.850 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.738 -7.329 2.101 1.00 0.00 H new ATOM 703 N PHE 1 49 5.817 -7.922 1.997 1.00 0.00 N ATOM 704 CA PHE 1 49 4.875 -7.877 0.891 1.00 0.00 C ATOM 705 C PHE 1 49 3.725 -6.912 1.190 1.00 0.00 C ATOM 706 O PHE 1 49 3.776 -6.164 2.165 1.00 0.00 O ATOM 707 CB PHE 1 49 4.311 -9.289 0.726 1.00 0.00 C ATOM 708 CG PHE 1 49 4.270 -10.099 2.023 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.427 -10.522 2.597 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.076 -10.396 2.602 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.391 -11.274 3.801 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.038 -11.147 3.807 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.196 -11.570 4.380 1.00 0.00 C ATOM 0 H PHE 1 49 5.397 -7.815 2.920 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.378 -7.532 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.302 -9.221 0.321 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.913 -9.826 -0.007 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.375 -10.286 2.137 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.156 -10.061 2.146 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.311 -11.610 4.256 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.090 -11.382 4.268 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.167 -12.142 5.296 1.00 0.00 H new ATOM 723 N LYS 1 50 2.716 -6.962 0.334 1.00 0.00 N ATOM 724 CA LYS 1 50 1.555 -6.103 0.495 1.00 0.00 C ATOM 725 C LYS 1 50 0.294 -6.965 0.570 1.00 0.00 C ATOM 726 O LYS 1 50 -0.517 -6.969 -0.355 1.00 0.00 O ATOM 727 CB LYS 1 50 1.512 -5.048 -0.613 1.00 0.00 C ATOM 728 CG LYS 1 50 1.585 -5.700 -1.996 1.00 0.00 C ATOM 729 CD LYS 1 50 2.877 -5.314 -2.717 1.00 0.00 C ATOM 730 CE LYS 1 50 3.079 -3.797 -2.705 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.138 -3.270 -4.086 1.00 0.00 N ATOM 0 H LYS 1 50 2.678 -7.584 -0.474 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.619 -5.548 1.431 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.594 -4.466 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.343 -4.353 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.531 -6.784 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.726 -5.393 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.725 -5.801 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.844 -5.672 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.263 -3.320 -2.162 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.000 -3.551 -2.176 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.630 -2.354 -4.087 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.653 -3.941 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.172 -3.144 -4.451 1.00 0.00 H new ATOM 745 N PRO 1 51 0.164 -7.694 1.711 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.985 -8.559 1.921 1.00 0.00 C ATOM 747 C PRO 1 51 -2.232 -7.740 2.261 1.00 0.00 C ATOM 748 O PRO 1 51 -2.881 -7.193 1.372 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.569 -9.501 3.039 1.00 0.00 C ATOM 750 CG PRO 1 51 0.611 -8.836 3.728 1.00 0.00 C ATOM 751 CD PRO 1 51 1.104 -7.715 2.828 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.259 -9.120 1.027 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.389 -9.663 3.739 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.290 -10.478 2.643 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.313 -8.442 4.700 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.406 -9.560 3.907 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.115 -6.761 3.354 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.122 -7.901 2.485 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.529 -7.683 3.552 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.687 -6.940 4.020 1.00 0.00 C ATOM 761 C LEU 1 52 -3.263 -5.514 4.374 1.00 0.00 C ATOM 762 O LEU 1 52 -3.795 -4.919 5.310 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.369 -7.683 5.171 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.817 -7.405 6.570 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.857 -6.701 7.442 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.300 -8.691 7.220 1.00 0.00 C ATOM 0 H LEU 1 52 -1.988 -8.139 4.287 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.436 -6.863 3.232 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.429 -7.429 5.163 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.296 -8.754 4.980 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.968 -6.728 6.473 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.437 -6.516 8.431 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.135 -5.753 6.982 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.741 -7.332 7.535 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.913 -8.466 8.214 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.115 -9.410 7.302 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.504 -9.114 6.607 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.309 -5.006 3.607 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.808 -3.660 3.829 1.00 0.00 C ATOM 780 C GLN 1 53 -2.971 -2.670 3.923 1.00 0.00 C ATOM 781 O GLN 1 53 -2.846 -1.619 4.550 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.828 -3.252 2.728 1.00 0.00 C ATOM 783 CG GLN 1 53 0.407 -4.155 2.729 1.00 0.00 C ATOM 784 CD GLN 1 53 1.111 -4.118 4.087 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.536 -5.128 4.623 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.211 -2.899 4.611 1.00 0.00 N ATOM 0 H GLN 1 53 -1.870 -5.502 2.831 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.267 -3.645 4.775 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.322 -3.307 1.758 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.525 -2.215 2.873 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.114 -5.178 2.495 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.097 -3.835 1.949 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.833 -2.095 4.109 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.665 -2.768 5.515 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.075 -3.041 3.292 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.259 -2.198 3.296 1.00 0.00 C ATOM 797 C GLU 1 54 -5.392 -1.477 4.641 1.00 0.00 C ATOM 798 O GLU 1 54 -5.925 -0.371 4.705 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.515 -3.015 2.986 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.131 -3.580 4.266 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.175 -2.620 4.843 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.238 -2.486 4.201 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -7.884 -2.043 5.913 1.00 0.00 O ATOM 0 H GLU 1 54 -4.175 -3.914 2.774 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.151 -1.448 2.512 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.244 -2.387 2.474 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.264 -3.831 2.308 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.595 -4.544 4.056 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.348 -3.757 5.003 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.898 -2.135 5.679 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.956 -1.571 7.017 1.00 0.00 C ATOM 812 C ALA 1 55 -4.752 -0.057 6.937 1.00 0.00 C ATOM 813 O ALA 1 55 -5.654 0.713 7.267 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.912 -2.253 7.904 1.00 0.00 C ATOM 0 H ALA 1 55 -4.456 -3.052 5.621 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.933 -1.749 7.466 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.955 -1.830 8.908 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.118 -3.322 7.952 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.918 -2.093 7.485 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.562 0.326 6.497 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.229 1.735 6.370 1.00 0.00 C ATOM 822 C GLU 1 56 -2.992 2.093 4.902 1.00 0.00 C ATOM 823 O GLU 1 56 -2.549 3.198 4.592 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.011 2.089 7.224 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.408 2.297 8.687 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.283 2.977 9.470 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.062 4.181 9.216 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -0.670 2.278 10.305 1.00 0.00 O ATOM 0 H GLU 1 56 -2.817 -0.315 6.224 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.071 2.322 6.736 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.270 1.293 7.154 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.543 2.995 6.838 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.311 2.905 8.739 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -2.644 1.336 9.144 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.298 1.138 4.035 1.00 0.00 N ATOM 836 CA CYS 1 57 -3.123 1.338 2.607 1.00 0.00 C ATOM 837 C CYS 1 57 -4.443 1.857 2.030 1.00 0.00 C ATOM 838 O CYS 1 57 -4.672 3.064 1.985 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.658 0.060 1.908 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.879 0.021 1.483 1.00 0.00 S ATOM 0 H CYS 1 57 -3.666 0.223 4.295 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.337 2.073 2.434 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -2.882 -0.791 2.551 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.238 -0.069 0.994 1.00 0.00 H new ATOM 845 N THR 1 58 -5.275 0.917 1.604 1.00 0.00 N ATOM 846 CA THR 1 58 -6.565 1.264 1.032 1.00 0.00 C ATOM 847 C THR 1 58 -7.245 2.350 1.869 1.00 0.00 C ATOM 848 O THR 1 58 -8.039 3.132 1.350 1.00 0.00 O ATOM 849 CB THR 1 58 -7.389 -0.019 0.915 1.00 0.00 C ATOM 850 OG1 THR 1 58 -8.284 0.242 -0.164 1.00 0.00 O ATOM 851 CG2 THR 1 58 -8.309 -0.236 2.118 1.00 0.00 C ATOM 0 H THR 1 58 -5.081 -0.084 1.644 1.00 0.00 H new ATOM 0 HA THR 1 58 -6.455 1.689 0.034 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.719 -0.873 0.812 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.856 -0.540 -0.311 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.871 -1.160 1.984 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.710 -0.304 3.026 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -9.002 0.601 2.202 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.908 2.361 3.151 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.477 3.337 4.065 1.00 0.00 C ATOM 861 C PHE 1 59 -7.762 4.658 3.348 1.00 0.00 C ATOM 862 O PHE 1 59 -8.771 5.308 3.615 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.438 3.580 5.162 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.997 4.278 6.404 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.526 3.543 7.417 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.965 5.635 6.493 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.044 4.191 8.570 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.483 6.283 7.645 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.012 5.547 8.659 1.00 0.00 C ATOM 0 H PHE 1 59 -6.249 1.710 3.578 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.418 2.964 4.470 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.007 2.624 5.458 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.627 4.182 4.753 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.553 2.466 7.345 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.546 6.219 5.687 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -8.463 3.607 9.376 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.457 7.360 7.716 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -8.407 6.040 9.535 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.739 15.308 -0.320 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.443 14.312 0.468 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.539 13.093 0.666 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.020 12.001 0.963 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.716 13.846 -0.241 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.723 13.116 0.650 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.341 13.805 1.491 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.852 11.886 0.472 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.708 14.764 1.424 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.206 14.714 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.436 13.187 -1.062 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.245 13.322 0.493 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.270 12.256 0.648 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.790 12.183 2.099 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.166 13.015 2.924 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.066 12.473 -0.271 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.511 12.665 -1.721 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.647 13.714 -2.426 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.850 13.636 -3.889 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.056 14.230 -4.790 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.001 14.950 -4.383 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.317 14.106 -6.099 1.00 0.00 N ATOM 0 H ARG 2 18 -6.850 14.230 0.247 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.756 11.319 0.375 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.505 13.347 0.060 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.394 11.618 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.445 11.717 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.556 12.973 -1.747 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.905 14.710 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.596 13.552 -2.187 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.644 13.096 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.803 15.046 -3.387 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.397 15.402 -5.069 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.120 13.559 -6.409 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.712 14.558 -6.785 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.966 11.181 2.367 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.430 10.989 3.704 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.964 11.425 3.729 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.211 11.034 4.619 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.629 9.537 4.144 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.144 9.328 5.579 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.092 9.114 3.993 1.00 0.00 C ATOM 0 H VAL 2 19 -4.656 10.493 1.681 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.966 11.609 4.423 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.028 8.904 3.491 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.297 8.288 5.867 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.083 9.570 5.643 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.706 9.977 6.251 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.206 8.078 4.312 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.722 9.755 4.610 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.392 9.207 2.949 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.602 12.230 2.740 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.240 12.724 2.637 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.276 11.664 3.176 1.00 0.00 C ATOM 1162 O ASP 2 20 0.037 11.652 4.366 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.052 13.997 3.464 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.378 14.248 3.949 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.293 14.122 3.107 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.523 14.560 5.151 1.00 0.00 O ATOM 0 H ASP 2 20 -3.229 12.552 2.003 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.039 12.942 1.588 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.372 14.851 2.867 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.711 13.950 4.331 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.167 10.800 2.274 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.089 9.740 2.644 1.00 0.00 C ATOM 1173 C CYS 2 21 2.260 10.364 3.405 1.00 0.00 C ATOM 1174 O CYS 2 21 2.778 9.770 4.350 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.560 8.947 1.422 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.182 7.267 1.790 1.00 0.00 S ATOM 0 H CYS 2 21 -0.095 10.813 1.288 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.581 9.022 3.288 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.732 8.866 0.718 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.349 9.510 0.923 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.643 11.554 2.966 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.743 12.265 3.594 1.00 0.00 C ATOM 1183 C GLY 2 22 5.030 11.439 3.543 1.00 0.00 C ATOM 1184 O GLY 2 22 5.714 11.285 4.553 1.00 0.00 O ATOM 0 H GLY 2 22 2.211 12.044 2.183 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.899 13.219 3.090 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.491 12.489 4.631 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.322 10.931 2.354 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.515 10.126 2.157 1.00 0.00 C ATOM 1190 C TYR 2 23 7.741 11.011 1.918 1.00 0.00 C ATOM 1191 O TYR 2 23 7.662 12.005 1.199 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.255 9.287 0.905 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.707 7.830 1.028 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.510 7.144 2.209 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.310 7.202 -0.043 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.936 5.773 2.325 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.734 5.831 0.072 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.526 5.184 1.251 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.927 3.888 1.360 1.00 0.00 O ATOM 0 H TYR 2 23 4.753 11.062 1.518 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.715 9.514 3.037 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.189 9.308 0.681 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.768 9.746 0.060 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.036 7.635 3.046 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.464 7.739 -0.967 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.790 5.225 3.244 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.206 5.327 -0.758 1.00 0.00 H new ATOM 0 HH TYR 2 23 8.769 3.847 1.859 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.873 10.606 2.553 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.115 11.350 2.416 1.00 0.00 C ATOM 1211 C PRO 2 24 10.751 11.107 1.047 1.00 0.00 C ATOM 1212 O PRO 2 24 11.725 11.767 0.685 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.984 10.879 3.569 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.386 9.559 4.031 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.004 9.433 3.413 1.00 0.00 C ATOM 0 HA PRO 2 24 9.967 12.429 2.462 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.018 10.749 3.251 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.989 11.610 4.378 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.018 8.726 3.725 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.322 9.529 5.119 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.909 8.510 2.841 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.228 9.415 4.178 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.177 10.158 0.322 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.678 9.819 -0.999 1.00 0.00 C ATOM 1225 C HIS 2 25 9.559 9.983 -2.029 1.00 0.00 C ATOM 1226 O HIS 2 25 9.586 9.355 -3.086 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.289 8.416 -1.006 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.773 8.395 -1.285 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.447 7.247 -1.664 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.703 9.389 -1.239 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.726 7.549 -1.835 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.883 8.879 -1.569 1.00 0.00 N ATOM 0 H HIS 2 25 9.370 9.613 0.625 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.481 10.503 -1.273 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.104 7.945 -0.040 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.780 7.813 -1.757 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.512 10.419 -0.978 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.506 6.864 -2.132 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.762 9.395 -1.616 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.600 10.830 -1.684 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.474 11.085 -2.566 1.00 0.00 C ATOM 1243 C VAL 2 26 7.981 11.252 -4.000 1.00 0.00 C ATOM 1244 O VAL 2 26 8.735 12.179 -4.290 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.681 12.295 -2.066 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.618 13.381 -1.533 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.772 12.847 -3.166 1.00 0.00 C ATOM 0 H VAL 2 26 8.580 11.348 -0.806 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.787 10.239 -2.562 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.048 11.964 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.030 14.230 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.205 12.981 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.288 13.707 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.220 13.706 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.378 13.154 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.070 12.074 -3.480 1.00 0.00 H new ATOM 1257 N THR 2 27 7.546 10.340 -4.857 1.00 0.00 N ATOM 1258 CA THR 2 27 7.947 10.376 -6.254 1.00 0.00 C ATOM 1259 C THR 2 27 7.046 9.464 -7.089 1.00 0.00 C ATOM 1260 O THR 2 27 6.490 8.495 -6.576 1.00 0.00 O ATOM 1261 CB THR 2 27 9.429 10.002 -6.330 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.039 11.131 -6.950 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.692 8.853 -7.304 1.00 0.00 C ATOM 0 H THR 2 27 6.921 9.572 -4.612 1.00 0.00 H new ATOM 0 HA THR 2 27 7.827 11.374 -6.676 1.00 0.00 H new ATOM 0 HB THR 2 27 9.786 9.725 -5.338 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.003 10.975 -7.038 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.758 8.627 -7.321 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.139 7.970 -6.983 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.367 9.142 -8.304 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.929 9.816 -8.398 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.105 9.041 -9.310 1.00 0.00 C ATOM 1273 C PRO 2 28 6.794 7.728 -9.690 1.00 0.00 C ATOM 1274 O PRO 2 28 6.925 7.411 -10.870 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.871 9.956 -10.501 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.947 11.026 -10.424 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.572 10.958 -9.041 1.00 0.00 C ATOM 0 HA PRO 2 28 5.157 8.736 -8.866 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.938 9.402 -11.438 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.876 10.400 -10.463 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.702 10.864 -11.193 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.518 12.012 -10.601 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.652 10.822 -9.101 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.397 11.877 -8.482 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.217 7.002 -8.666 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.890 5.732 -8.877 1.00 0.00 C ATOM 1287 C LYS 2 29 8.159 5.071 -7.524 1.00 0.00 C ATOM 1288 O LYS 2 29 8.319 3.853 -7.444 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.147 5.925 -9.728 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.785 4.580 -10.077 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.075 4.482 -11.577 1.00 0.00 C ATOM 1292 CE LYS 2 29 10.433 3.050 -11.975 1.00 0.00 C ATOM 1293 NZ LYS 2 29 11.153 3.035 -13.268 1.00 0.00 N ATOM 0 H LYS 2 29 7.107 7.269 -7.688 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.252 5.053 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.892 6.459 -10.643 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.865 6.543 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.711 4.456 -9.515 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.120 3.770 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.203 4.813 -12.142 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.895 5.151 -11.837 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 11.053 2.596 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.526 2.450 -12.050 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 11.388 2.055 -13.523 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 10.549 3.449 -14.006 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 12.028 3.591 -13.184 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.202 5.902 -6.493 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.450 5.414 -5.148 1.00 0.00 C ATOM 1309 C GLU 2 30 7.130 5.258 -4.388 1.00 0.00 C ATOM 1310 O GLU 2 30 6.917 4.257 -3.707 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.408 6.339 -4.396 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.808 5.726 -4.310 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.587 5.956 -5.606 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.123 5.441 -6.647 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.630 6.641 -5.528 1.00 0.00 O ATOM 0 H GLU 2 30 8.069 6.911 -6.563 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.924 4.435 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.460 7.303 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.026 6.525 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.350 6.165 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.729 4.657 -4.113 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.280 6.265 -4.531 1.00 0.00 N ATOM 1323 CA CYS 2 31 4.987 6.252 -3.868 1.00 0.00 C ATOM 1324 C CYS 2 31 4.189 5.058 -4.393 1.00 0.00 C ATOM 1325 O CYS 2 31 3.750 4.209 -3.618 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.238 7.571 -4.064 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.857 8.964 -3.052 1.00 0.00 S ATOM 0 H CYS 2 31 6.462 7.095 -5.096 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.128 6.147 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.294 7.852 -5.116 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.185 7.412 -3.832 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.025 5.030 -5.708 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.286 3.954 -6.346 1.00 0.00 C ATOM 1334 C ASN 2 32 4.034 2.635 -6.141 1.00 0.00 C ATOM 1335 O ASN 2 32 3.540 1.573 -6.515 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.154 4.194 -7.852 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.893 4.998 -8.172 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.799 6.145 -7.504 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.059 4.604 -8.971 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.391 5.735 -6.348 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.293 3.915 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.032 4.727 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.122 3.238 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.192 3.713 -9.450 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.229 5.165 -9.160 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.213 2.748 -5.548 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.035 1.577 -5.289 1.00 0.00 C ATOM 1348 C ASN 2 33 5.942 1.213 -3.806 1.00 0.00 C ATOM 1349 O ASN 2 33 6.104 0.051 -3.437 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.504 1.852 -5.616 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.397 0.707 -5.133 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.163 -0.457 -5.414 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.430 1.101 -4.396 1.00 0.00 N ATOM 0 H ASN 2 33 5.619 3.631 -5.239 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.671 0.764 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.623 1.982 -6.692 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.816 2.785 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.086 0.412 -4.028 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.567 2.092 -4.199 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.680 2.227 -2.995 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.564 2.028 -1.560 1.00 0.00 C ATOM 1362 C ARG 2 34 4.124 1.667 -1.189 1.00 0.00 C ATOM 1363 O ARG 2 34 3.891 0.937 -0.228 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.981 3.285 -0.794 1.00 0.00 C ATOM 1365 CG ARG 2 34 4.800 4.247 -0.635 1.00 0.00 C ATOM 1366 CD ARG 2 34 3.956 3.882 0.588 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.152 4.886 1.657 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.555 4.834 2.854 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 2.721 3.827 3.144 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 3.793 5.790 3.764 1.00 0.00 N ATOM 0 H ARG 2 34 5.545 3.190 -3.304 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.230 1.211 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.363 3.007 0.188 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.793 3.785 -1.322 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.169 5.268 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.180 4.218 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 2.903 3.834 0.312 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.236 2.893 0.951 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.781 5.667 1.470 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 2.540 3.099 2.453 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.266 3.788 4.056 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.429 6.557 3.544 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 3.338 5.750 4.676 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.194 2.197 -1.973 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.784 1.940 -1.740 1.00 0.00 C ATOM 1386 C GLY 2 35 0.994 3.247 -1.665 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.090 3.289 -1.086 1.00 0.00 O ATOM 0 H GLY 2 35 3.391 2.803 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.387 1.316 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.661 1.383 -0.811 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.566 4.283 -2.260 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.929 5.588 -2.269 1.00 0.00 C ATOM 1393 C CYS 2 36 0.694 5.999 -3.724 1.00 0.00 C ATOM 1394 O CYS 2 36 1.148 5.321 -4.645 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.757 6.627 -1.510 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.027 6.249 0.259 1.00 0.00 S ATOM 0 H CYS 2 36 2.465 4.245 -2.740 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.028 5.531 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.727 6.725 -1.998 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.261 7.594 -1.589 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.015 7.105 -3.886 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.317 7.614 -5.214 1.00 0.00 C ATOM 1403 C CYS 2 37 0.267 9.023 -5.332 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.009 9.885 -4.500 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.820 7.594 -5.500 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.266 7.203 -7.231 1.00 0.00 S ATOM 0 H CYS 2 37 -0.390 7.664 -3.120 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.138 6.968 -5.965 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.291 6.862 -4.844 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.238 8.567 -5.243 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.560 7.211 -7.358 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.064 9.213 -6.373 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.690 10.502 -6.612 1.00 0.00 C ATOM 1413 C PHE 2 38 0.824 11.372 -7.525 1.00 0.00 C ATOM 1414 O PHE 2 38 0.481 10.963 -8.635 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.026 10.230 -7.305 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.985 11.422 -7.298 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 3.935 12.341 -8.299 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.888 11.563 -6.291 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 4.826 13.447 -8.293 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.778 12.668 -6.284 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.729 13.587 -7.285 1.00 0.00 C ATOM 0 H PHE 2 38 1.291 8.495 -7.061 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.822 11.031 -5.668 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.511 9.384 -6.818 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.835 9.937 -8.337 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 3.218 12.230 -9.099 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 4.928 10.833 -5.496 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 4.787 14.177 -9.088 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 6.494 12.779 -5.484 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.407 14.428 -7.280 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.494 12.553 -7.026 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.326 13.484 -7.783 1.00 0.00 C ATOM 1433 C ASP 2 39 0.577 14.359 -8.654 1.00 0.00 C ATOM 1434 O ASP 2 39 0.769 14.075 -9.836 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.119 14.402 -6.852 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.862 15.544 -7.549 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.787 15.229 -8.327 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.487 16.708 -7.288 1.00 0.00 O ATOM 0 H ASP 2 39 0.780 12.888 -6.106 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.019 12.905 -8.393 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.843 13.800 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.435 14.828 -6.118 1.00 0.00 H new ATOM 1443 N SER 2 40 1.105 15.406 -8.039 1.00 0.00 N ATOM 1444 CA SER 2 40 1.982 16.325 -8.744 1.00 0.00 C ATOM 1445 C SER 2 40 1.157 17.422 -9.420 1.00 0.00 C ATOM 1446 O SER 2 40 1.699 18.446 -9.834 1.00 0.00 O ATOM 1447 CB SER 2 40 2.835 15.588 -9.779 1.00 0.00 C ATOM 1448 OG SER 2 40 4.153 16.124 -9.865 1.00 0.00 O ATOM 0 H SER 2 40 0.942 15.639 -7.059 1.00 0.00 H new ATOM 0 HA SER 2 40 2.654 16.781 -8.017 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.890 14.531 -9.517 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.354 15.650 -10.755 1.00 0.00 H new ATOM 0 HG SER 2 40 4.666 15.626 -10.535 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.140 17.170 -9.513 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.045 18.123 -10.131 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.178 19.373 -9.260 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.186 20.492 -9.770 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.430 17.509 -10.344 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.334 16.193 -11.120 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.606 15.941 -11.932 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.553 16.699 -13.202 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.634 17.066 -13.903 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.859 16.746 -13.463 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.491 17.753 -15.045 1.00 0.00 N ATOM 0 H ARG 2 41 -0.586 16.319 -9.170 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.627 18.395 -11.100 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.906 17.332 -9.379 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.063 18.210 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.472 16.222 -11.787 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.172 15.368 -10.426 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.711 14.876 -12.139 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.481 16.241 -11.356 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.636 16.958 -13.566 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.968 16.223 -12.594 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.682 17.026 -13.997 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.559 17.996 -15.380 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.314 18.032 -15.579 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.278 19.140 -7.959 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.411 20.234 -7.012 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.245 20.188 -6.021 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.155 19.272 -5.206 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.786 20.201 -6.344 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.837 19.602 -7.281 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.188 21.592 -5.849 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.250 19.836 -6.743 1.00 0.00 C ATOM 0 H ILE 2 42 -1.270 18.210 -7.539 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.356 21.193 -7.527 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.725 19.552 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.743 20.048 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.660 18.533 -7.395 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.170 21.541 -5.378 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.455 21.946 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.226 22.281 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.977 19.400 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.349 19.368 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.432 20.907 -6.653 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.641 21.214 -6.128 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.796 21.299 -5.251 1.00 0.00 C ATOM 1499 C PRO 2 43 1.388 21.751 -3.847 1.00 0.00 C ATOM 1500 O PRO 2 43 2.207 21.755 -2.929 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.740 22.273 -5.938 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.889 23.049 -6.929 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.566 22.317 -7.082 1.00 0.00 C ATOM 0 HA PRO 2 43 2.281 20.334 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.205 22.942 -5.214 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.546 21.743 -6.446 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.723 24.067 -6.575 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.397 23.125 -7.891 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.277 22.973 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.431 21.952 -8.100 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.122 22.122 -3.725 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.405 22.575 -2.449 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.067 21.423 -1.689 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.514 21.599 -0.557 1.00 0.00 O ATOM 0 H GLY 2 44 -0.554 22.118 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.401 22.997 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.131 23.372 -2.613 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.107 20.271 -2.342 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.705 19.091 -1.743 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.651 17.988 -1.634 1.00 0.00 C ATOM 1521 O VAL 2 45 0.502 18.187 -2.014 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.937 18.665 -2.544 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.626 19.875 -3.176 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.567 17.627 -3.606 1.00 0.00 C ATOM 0 H VAL 2 45 -0.734 20.130 -3.281 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.050 19.310 -0.733 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.642 18.202 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.498 19.544 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.940 20.565 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.931 20.380 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.460 17.341 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.834 18.053 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.143 16.747 -3.122 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.094 16.819 -1.099 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.202 15.684 -0.937 1.00 0.00 C ATOM 1536 C PRO 2 46 0.073 15.005 -2.279 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.843 14.485 -2.916 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.903 14.772 0.058 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.362 15.200 0.060 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.453 16.547 -0.637 1.00 0.00 C ATOM 0 HA PRO 2 46 0.782 15.973 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.803 13.726 -0.233 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.466 14.869 1.052 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.977 14.462 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.737 15.272 1.081 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.155 16.515 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.802 17.323 0.045 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.338 15.031 -2.671 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.745 14.425 -3.927 1.00 0.00 C ATOM 1550 C TRP 2 47 2.113 12.966 -3.650 1.00 0.00 C ATOM 1551 O TRP 2 47 2.910 12.375 -4.377 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.884 15.216 -4.575 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.109 16.599 -3.960 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.375 17.708 -4.132 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.173 16.978 -3.062 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.888 18.769 -3.414 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.015 18.311 -2.742 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.234 16.218 -2.537 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.882 19.001 -1.886 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.091 16.924 -1.683 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.945 18.266 -1.351 1.00 0.00 C ATOM 0 H TRP 2 47 2.095 15.462 -2.141 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.928 14.448 -4.648 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.805 14.639 -4.494 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.673 15.332 -5.638 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.494 17.764 -4.754 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.509 19.716 -3.382 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.376 15.174 -2.773 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.738 20.045 -1.651 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.924 16.388 -1.252 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.649 18.739 -0.683 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.514 12.427 -2.599 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.768 11.048 -2.217 1.00 0.00 C ATOM 1574 C CYS 2 48 0.779 10.664 -1.115 1.00 0.00 C ATOM 1575 O CYS 2 48 0.955 11.044 0.042 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.220 10.842 -1.779 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.708 9.094 -1.543 1.00 0.00 S ATOM 0 H CYS 2 48 0.853 12.920 -1.999 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.621 10.396 -3.078 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.877 11.291 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.383 11.380 -0.845 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.240 9.917 -1.513 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.257 9.477 -0.573 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.613 8.006 -0.799 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.931 7.306 -1.546 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.500 10.334 -0.826 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.606 10.870 -2.255 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.662 11.724 -2.734 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.644 10.492 -3.047 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.761 12.221 -4.060 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.743 10.989 -4.373 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.799 11.843 -4.852 1.00 0.00 C ATOM 0 H PHE 2 49 -0.383 9.605 -2.474 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.890 9.582 0.448 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.388 9.742 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.496 11.175 -0.133 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.837 12.024 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.394 9.813 -2.667 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.011 12.900 -4.440 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.568 10.689 -5.002 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.874 12.221 -5.861 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.680 7.581 -0.139 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.134 6.205 -0.257 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.586 6.193 -0.739 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.486 5.798 0.001 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.915 5.453 1.057 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.594 6.176 2.222 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.620 6.381 3.384 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.367 7.128 2.923 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.148 6.448 3.413 1.00 0.00 N ATOM 0 H LYS 2 50 -3.244 8.165 0.479 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.545 5.671 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.311 4.441 0.972 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.847 5.361 1.254 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.971 7.141 1.885 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.454 5.598 2.561 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -3.110 6.942 4.180 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.339 5.415 3.802 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.348 7.181 1.834 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -1.392 8.153 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.617 6.562 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 0.143 6.867 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -0.345 5.436 3.547 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.775 6.640 -2.008 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.102 6.683 -2.598 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.577 5.282 -2.984 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.177 4.579 -2.172 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.973 7.618 -3.791 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.487 7.694 -4.101 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.733 7.115 -2.915 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.859 7.048 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.532 7.239 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.375 8.604 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.257 7.136 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.186 8.727 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.075 6.302 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.106 7.869 -2.438 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.290 4.916 -4.225 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.680 3.610 -4.730 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.446 2.709 -4.807 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.403 1.776 -5.608 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.423 3.750 -6.060 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.573 3.596 -7.323 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -5.146 4.095 -7.087 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.599 2.153 -7.830 1.00 0.00 C ATOM 0 H LEU 2 52 -5.792 5.501 -4.896 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.383 3.132 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.219 3.006 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.901 4.729 -6.085 1.00 0.00 H new ATOM 0 HG LEU 2 52 -7.007 4.219 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -4.563 3.974 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -5.170 5.149 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -4.687 3.518 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.987 2.072 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -6.204 1.490 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -7.625 1.868 -8.063 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.473 3.018 -3.963 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.242 2.248 -3.925 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.553 0.752 -3.855 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.711 -0.078 -4.193 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.360 2.680 -2.752 1.00 0.00 C ATOM 1662 CG GLN 2 53 -3.166 3.478 -1.726 1.00 0.00 C ATOM 1663 CD GLN 2 53 -4.412 2.706 -1.285 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -5.501 3.244 -1.178 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -4.191 1.418 -1.039 1.00 0.00 N ATOM 0 H GLN 2 53 -4.512 3.792 -3.300 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.688 2.441 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -1.926 1.801 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.531 3.285 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.543 3.695 -0.859 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -3.460 4.436 -2.155 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.253 1.031 -1.149 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -4.959 0.817 -0.741 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.766 0.453 -3.413 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.200 -0.929 -3.293 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.674 -1.754 -4.470 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.481 -2.962 -4.348 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.724 -1.019 -3.199 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.384 -0.508 -4.482 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.350 -1.548 -5.052 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -7.847 -2.521 -5.653 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.571 -1.347 -4.874 1.00 0.00 O ATOM 0 H GLU 2 54 -5.462 1.144 -3.134 1.00 0.00 H new ATOM 0 HA GLU 2 54 -4.787 -1.340 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.020 -2.053 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.075 -0.435 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.921 0.418 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.618 -0.274 -5.221 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.457 -1.068 -5.582 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.957 -1.721 -6.780 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.949 -2.802 -6.382 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.245 -3.993 -6.467 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.351 -0.676 -7.718 1.00 0.00 C ATOM 0 H ALA 2 55 -4.618 -0.066 -5.679 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.770 -2.209 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.976 -1.167 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.114 0.052 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.530 -0.167 -7.213 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.780 -2.347 -5.956 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.727 -3.260 -5.545 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.407 -3.067 -4.062 1.00 0.00 C ATOM 1702 O GLU 2 56 0.655 -3.477 -3.594 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.525 -3.075 -6.405 1.00 0.00 C ATOM 1704 CG GLU 2 56 1.096 -1.665 -6.247 1.00 0.00 C ATOM 1705 CD GLU 2 56 2.447 -1.539 -6.952 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 2.431 -1.431 -8.197 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 3.468 -1.550 -6.230 1.00 0.00 O ATOM 0 H GLU 2 56 -1.539 -1.358 -5.887 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.080 -4.281 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 1.278 -3.810 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.282 -3.257 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.397 -0.937 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 1.211 -1.432 -5.188 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.344 -2.445 -3.363 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.174 -2.193 -1.942 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.016 -3.211 -1.170 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.499 -3.928 -0.314 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.542 -0.754 -1.575 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.465 0.014 -0.310 1.00 0.00 S ATOM 0 H CYS 2 57 -2.224 -2.108 -3.754 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.125 -2.311 -1.672 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.510 -0.144 -2.478 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.571 -0.737 -1.215 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.298 -3.244 -1.500 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.216 -4.162 -0.849 1.00 0.00 C ATOM 1726 C THR 2 58 -4.027 -5.579 -1.392 1.00 0.00 C ATOM 1727 O THR 2 58 -4.043 -6.547 -0.632 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.637 -3.624 -1.036 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.326 -4.044 0.138 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.381 -4.322 -2.176 1.00 0.00 C ATOM 0 H THR 2 58 -3.723 -2.649 -2.211 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.017 -4.228 0.221 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.596 -2.552 -1.231 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.255 -3.735 0.100 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.383 -3.903 -2.266 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.839 -4.172 -3.110 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.451 -5.389 -1.965 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.852 -5.659 -2.702 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.661 -6.942 -3.357 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.921 -7.918 -2.441 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.997 -9.132 -2.630 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.810 -6.686 -4.602 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.509 -7.041 -5.917 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.670 -6.421 -6.258 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.968 -7.977 -6.743 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.318 -6.751 -7.478 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.617 -8.307 -7.963 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.778 -7.687 -8.304 1.00 0.00 C ATOM 0 H PHE 2 59 -3.838 -4.855 -3.329 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.627 -7.380 -3.608 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.526 -5.634 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.889 -7.263 -4.525 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.099 -5.678 -5.602 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.046 -8.469 -6.471 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.240 -6.259 -7.750 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.188 -9.050 -8.619 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.272 -7.938 -9.231 1.00 0.00 H new