USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 411 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: A 33 CYS SG : rot 146:sc= 0.463 USER MOD Set 1.2: A 36 CYS SG : rot -49:sc= -1.67 USER MOD Set 1.3: A 64 CYS SG : rot 170:sc= 0.404 USER MOD Set 1.4: A 67 CYS SG : rot 88:sc= -1.33 USER MOD Set 2.1: A 19 CYS SG : rot 168:sc= 0.275 USER MOD Set 2.2: A 21 CYS SG : rot -75:sc= -1.57 USER MOD Set 2.3: A 30 MET CE :methyl -143:sc= -0.136 (180deg=-0.383) USER MOD Set 2.4: A 41 HIS : no HD1:sc= 0.0175 K(o=-1.4,f=-2.8) USER MOD Set 2.5: A 44 CYS SG : rot 177:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 25 HIS :FLIP no HE2:sc= -1.32 F(o=-2.7!,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 27 ASN : amide:sc= -0.476 K(o=-0.48,f=-2.4!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.661 K(o=-0.66,f=-1.4!) USER MOD Single : A 62 TYR OH : rot 165:sc= -1.41 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.601 F(o=-2!,f=-0.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -5.997 21.895 8.012 1.00 0.00 N ATOM 185 CA ALA A 16 -5.557 20.966 6.978 1.00 0.00 C ATOM 186 C ALA A 16 -6.483 19.758 6.896 1.00 0.00 C ATOM 187 O ALA A 16 -6.354 18.810 7.672 1.00 0.00 O ATOM 188 CB ALA A 16 -4.127 20.521 7.243 1.00 0.00 C ATOM 0 HA ALA A 16 -5.593 21.484 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.811 19.828 6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.470 21.390 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.074 20.026 8.212 1.00 0.00 H new ATOM 194 N LEU A 17 -7.418 19.797 5.953 1.00 0.00 N ATOM 195 CA LEU A 17 -8.367 18.705 5.770 1.00 0.00 C ATOM 196 C LEU A 17 -8.403 18.252 4.314 1.00 0.00 C ATOM 197 O LEU A 17 -8.848 18.990 3.435 1.00 0.00 O ATOM 198 CB LEU A 17 -9.765 19.137 6.216 1.00 0.00 C ATOM 199 CG LEU A 17 -9.843 19.892 7.544 1.00 0.00 C ATOM 200 CD1 LEU A 17 -11.236 20.466 7.751 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.463 18.978 8.700 1.00 0.00 C ATOM 0 H LEU A 17 -7.539 20.574 5.303 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.039 17.866 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.194 19.767 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.392 18.248 6.289 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.133 20.719 7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.272 21.000 8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.470 21.154 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.965 19.656 7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.524 19.532 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.148 18.131 8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.445 18.616 8.558 1.00 0.00 H new ATOM 213 N TYR A 18 -7.933 17.035 4.067 1.00 0.00 N ATOM 214 CA TYR A 18 -7.911 16.483 2.717 1.00 0.00 C ATOM 215 C TYR A 18 -8.922 15.350 2.575 1.00 0.00 C ATOM 216 O TYR A 18 -9.873 15.444 1.798 1.00 0.00 O ATOM 217 CB TYR A 18 -6.509 15.977 2.374 1.00 0.00 C ATOM 218 CG TYR A 18 -5.539 17.079 2.011 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.692 17.808 0.838 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.470 17.392 2.842 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.808 18.815 0.503 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.582 18.398 2.515 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.755 19.107 1.344 1.00 0.00 C ATOM 224 OH TYR A 18 -2.873 20.110 1.014 1.00 0.00 O ATOM 0 H TYR A 18 -7.562 16.411 4.784 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.184 17.277 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.114 15.422 3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.578 15.277 1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.516 17.583 0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.331 16.839 3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.941 19.371 -0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.757 18.628 3.172 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.190 20.188 1.713 1.00 0.00 H new ATOM 234 N CYS A 19 -8.710 14.278 3.332 1.00 0.00 N ATOM 235 CA CYS A 19 -9.601 13.125 3.293 1.00 0.00 C ATOM 236 C CYS A 19 -11.000 13.502 3.774 1.00 0.00 C ATOM 237 O CYS A 19 -11.198 14.563 4.366 1.00 0.00 O ATOM 238 CB CYS A 19 -9.042 11.992 4.154 1.00 0.00 C ATOM 239 SG CYS A 19 -9.850 10.382 3.883 1.00 0.00 S ATOM 0 H CYS A 19 -7.928 14.184 3.980 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.670 12.786 2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.976 11.889 3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.143 12.265 5.204 1.00 0.00 H new ATOM 0 HG CYS A 19 -9.159 9.446 4.463 1.00 0.00 H new ATOM 244 N ILE A 20 -11.964 12.625 3.515 1.00 0.00 N ATOM 245 CA ILE A 20 -13.343 12.865 3.923 1.00 0.00 C ATOM 246 C ILE A 20 -13.468 12.907 5.442 1.00 0.00 C ATOM 247 O ILE A 20 -14.379 13.532 5.984 1.00 0.00 O ATOM 248 CB ILE A 20 -14.290 11.783 3.371 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.739 10.388 3.677 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.485 11.964 1.873 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.726 9.275 3.402 1.00 0.00 C ATOM 0 H ILE A 20 -11.816 11.743 3.025 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.630 13.832 3.511 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.259 11.886 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.841 10.222 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.439 10.346 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.157 11.192 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.916 12.946 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.522 11.884 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.268 8.315 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.615 9.416 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.008 9.290 2.349 1.00 0.00 H new ATOM 263 N CYS A 21 -12.544 12.238 6.125 1.00 0.00 N ATOM 264 CA CYS A 21 -12.548 12.199 7.582 1.00 0.00 C ATOM 265 C CYS A 21 -11.944 13.475 8.162 1.00 0.00 C ATOM 266 O CYS A 21 -11.642 13.545 9.353 1.00 0.00 O ATOM 267 CB CYS A 21 -11.771 10.980 8.083 1.00 0.00 C ATOM 268 SG CYS A 21 -10.025 10.947 7.563 1.00 0.00 S ATOM 0 H CYS A 21 -11.783 11.715 5.692 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.583 12.124 7.916 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.815 10.956 9.172 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.263 10.076 7.724 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.953 10.623 6.306 1.00 0.00 H new ATOM 273 N ARG A 22 -11.772 14.481 7.311 1.00 0.00 N ATOM 274 CA ARG A 22 -11.204 15.754 7.739 1.00 0.00 C ATOM 275 C ARG A 22 -9.894 15.539 8.492 1.00 0.00 C ATOM 276 O ARG A 22 -9.686 16.103 9.566 1.00 0.00 O ATOM 277 CB ARG A 22 -12.197 16.509 8.625 1.00 0.00 C ATOM 278 CG ARG A 22 -13.156 17.395 7.847 1.00 0.00 C ATOM 279 CD ARG A 22 -13.752 16.660 6.656 1.00 0.00 C ATOM 280 NE ARG A 22 -12.878 16.712 5.487 1.00 0.00 N ATOM 281 CZ ARG A 22 -12.827 17.745 4.653 1.00 0.00 C ATOM 282 NH1 ARG A 22 -13.595 18.806 4.859 1.00 0.00 N ATOM 283 NH2 ARG A 22 -12.006 17.717 3.612 1.00 0.00 N ATOM 0 H ARG A 22 -12.018 14.440 6.322 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.998 16.349 6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.772 15.789 9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.643 17.123 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.956 17.733 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.631 18.285 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.934 15.620 6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.718 17.098 6.406 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.274 15.912 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.227 18.831 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.554 19.598 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.414 16.902 3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.967 18.510 2.972 1.00 0.00 H new ATOM 297 N GLN A 23 -9.017 14.720 7.922 1.00 0.00 N ATOM 298 CA GLN A 23 -7.729 14.430 8.541 1.00 0.00 C ATOM 299 C GLN A 23 -6.584 14.730 7.580 1.00 0.00 C ATOM 300 O GLN A 23 -6.738 14.687 6.359 1.00 0.00 O ATOM 301 CB GLN A 23 -7.670 12.966 8.983 1.00 0.00 C ATOM 302 CG GLN A 23 -8.636 12.631 10.108 1.00 0.00 C ATOM 303 CD GLN A 23 -8.035 12.859 11.481 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.814 13.998 11.893 1.00 0.00 O ATOM 305 NE2 GLN A 23 -7.767 11.774 12.198 1.00 0.00 N ATOM 0 H GLN A 23 -9.174 14.245 7.033 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.622 15.071 9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.887 12.328 8.127 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.655 12.733 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.534 13.239 10.003 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.944 11.589 10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.966 10.849 11.817 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.362 11.866 13.130 1.00 0.00 H new ATOM 314 N PRO A 24 -5.406 15.041 8.141 1.00 0.00 N ATOM 315 CA PRO A 24 -4.211 15.354 7.352 1.00 0.00 C ATOM 316 C PRO A 24 -3.655 14.130 6.631 1.00 0.00 C ATOM 317 O PRO A 24 -4.260 13.058 6.652 1.00 0.00 O ATOM 318 CB PRO A 24 -3.214 15.855 8.401 1.00 0.00 C ATOM 319 CG PRO A 24 -3.652 15.218 9.674 1.00 0.00 C ATOM 320 CD PRO A 24 -5.150 15.110 9.590 1.00 0.00 C ATOM 0 HA PRO A 24 -4.421 16.077 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.194 15.569 8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.231 16.942 8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.196 14.235 9.795 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.352 15.817 10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.519 14.223 10.106 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.641 15.970 10.044 1.00 0.00 H new ATOM 328 N HIS A 25 -2.500 14.298 5.995 1.00 0.00 N ATOM 329 CA HIS A 25 -1.862 13.206 5.268 1.00 0.00 C ATOM 330 C HIS A 25 -0.904 12.437 6.173 1.00 0.00 C ATOM 331 O HIS A 25 0.258 12.812 6.323 1.00 0.00 O ATOM 332 CB HIS A 25 -1.110 13.746 4.051 1.00 0.00 C ATOM 333 CG HIS A 25 0.045 12.889 3.632 1.00 0.00 C ATOM 334 ND1 HIS A 25 0.217 11.548 3.685 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 1.202 13.401 3.085 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 1.462 11.277 3.173 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 2.035 12.412 2.817 1.00 0.00 N flip ATOM 0 H HIS A 25 -1.987 15.179 5.968 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.642 12.523 4.930 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.805 13.838 3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.746 14.749 4.275 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.453 10.866 4.039 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.397 14.448 2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.901 10.295 3.077 1.00 0.00 H new ATOM 346 N ASN A 26 -1.401 11.361 6.774 1.00 0.00 N ATOM 347 CA ASN A 26 -0.589 10.541 7.666 1.00 0.00 C ATOM 348 C ASN A 26 0.096 9.416 6.896 1.00 0.00 C ATOM 349 O ASN A 26 -0.133 9.239 5.701 1.00 0.00 O ATOM 350 CB ASN A 26 -1.455 9.955 8.783 1.00 0.00 C ATOM 351 CG ASN A 26 -2.369 10.991 9.410 1.00 0.00 C ATOM 352 OD1 ASN A 26 -1.927 11.834 10.190 1.00 0.00 O ATOM 353 ND2 ASN A 26 -3.651 10.931 9.070 1.00 0.00 N ATOM 0 H ASN A 26 -2.361 11.037 6.660 1.00 0.00 H new ATOM 0 HA ASN A 26 0.179 11.177 8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.056 9.139 8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.811 9.529 9.553 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.314 11.601 9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.973 10.215 8.419 1.00 0.00 H new ATOM 360 N ASN A 27 0.939 8.659 7.592 1.00 0.00 N ATOM 361 CA ASN A 27 1.658 7.551 6.974 1.00 0.00 C ATOM 362 C ASN A 27 0.745 6.763 6.039 1.00 0.00 C ATOM 363 O ASN A 27 1.133 6.416 4.924 1.00 0.00 O ATOM 364 CB ASN A 27 2.229 6.623 8.049 1.00 0.00 C ATOM 365 CG ASN A 27 3.195 5.603 7.479 1.00 0.00 C ATOM 366 OD1 ASN A 27 2.880 4.904 6.515 1.00 0.00 O ATOM 367 ND2 ASN A 27 4.379 5.512 8.074 1.00 0.00 N ATOM 0 H ASN A 27 1.140 8.793 8.583 1.00 0.00 H new ATOM 0 HA ASN A 27 2.478 7.965 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.739 7.219 8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.411 6.105 8.549 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.070 4.843 7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.597 6.111 8.870 1.00 0.00 H new ATOM 374 N ARG A 28 -0.469 6.485 6.503 1.00 0.00 N ATOM 375 CA ARG A 28 -1.437 5.737 5.709 1.00 0.00 C ATOM 376 C ARG A 28 -1.296 6.069 4.226 1.00 0.00 C ATOM 377 O ARG A 28 -0.943 7.191 3.861 1.00 0.00 O ATOM 378 CB ARG A 28 -2.860 6.046 6.178 1.00 0.00 C ATOM 379 CG ARG A 28 -3.122 5.659 7.625 1.00 0.00 C ATOM 380 CD ARG A 28 -4.341 6.377 8.182 1.00 0.00 C ATOM 381 NE ARG A 28 -4.668 5.932 9.534 1.00 0.00 N ATOM 382 CZ ARG A 28 -3.932 6.222 10.601 1.00 0.00 C ATOM 383 NH1 ARG A 28 -2.834 6.954 10.475 1.00 0.00 N ATOM 384 NH2 ARG A 28 -4.295 5.781 11.799 1.00 0.00 N ATOM 0 H ARG A 28 -0.806 6.766 7.424 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.239 4.674 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.050 7.112 6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.567 5.520 5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.270 4.581 7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.248 5.899 8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.157 7.451 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.195 6.204 7.527 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.507 5.368 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.552 7.296 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.271 7.175 11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.140 5.219 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.729 6.004 12.618 1.00 0.00 H new ATOM 398 N PHE A 29 -1.573 5.086 3.376 1.00 0.00 N ATOM 399 CA PHE A 29 -1.476 5.272 1.933 1.00 0.00 C ATOM 400 C PHE A 29 -2.544 6.242 1.437 1.00 0.00 C ATOM 401 O PHE A 29 -3.592 6.401 2.063 1.00 0.00 O ATOM 402 CB PHE A 29 -1.616 3.929 1.214 1.00 0.00 C ATOM 403 CG PHE A 29 -1.652 4.052 -0.283 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.584 4.606 -0.972 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.753 3.615 -1.001 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.614 4.720 -2.349 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.788 3.726 -2.378 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.718 4.280 -3.053 1.00 0.00 C ATOM 0 H PHE A 29 -1.867 4.152 3.662 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.496 5.694 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.783 3.285 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.528 3.438 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.281 4.952 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.594 3.183 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.225 5.153 -2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.652 3.380 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.744 4.369 -4.129 1.00 0.00 H new ATOM 418 N MET A 30 -2.269 6.888 0.309 1.00 0.00 N ATOM 419 CA MET A 30 -3.207 7.842 -0.272 1.00 0.00 C ATOM 420 C MET A 30 -3.136 7.815 -1.796 1.00 0.00 C ATOM 421 O MET A 30 -2.155 7.345 -2.372 1.00 0.00 O ATOM 422 CB MET A 30 -2.912 9.254 0.237 1.00 0.00 C ATOM 423 CG MET A 30 -3.082 9.406 1.740 1.00 0.00 C ATOM 424 SD MET A 30 -2.822 11.099 2.302 1.00 0.00 S ATOM 425 CE MET A 30 -4.507 11.706 2.341 1.00 0.00 C ATOM 0 H MET A 30 -1.405 6.769 -0.221 1.00 0.00 H new ATOM 0 HA MET A 30 -4.213 7.555 0.033 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.891 9.523 -0.034 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.572 9.959 -0.268 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.084 9.084 2.023 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.379 8.746 2.250 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.526 12.747 2.019 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.125 11.108 1.672 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.897 11.633 3.356 1.00 0.00 H new ATOM 435 N ILE A 31 -4.182 8.319 -2.441 1.00 0.00 N ATOM 436 CA ILE A 31 -4.238 8.352 -3.898 1.00 0.00 C ATOM 437 C ILE A 31 -5.008 9.572 -4.391 1.00 0.00 C ATOM 438 O ILE A 31 -5.892 10.082 -3.701 1.00 0.00 O ATOM 439 CB ILE A 31 -4.895 7.080 -4.465 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.400 7.090 -4.187 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.249 5.839 -3.869 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.753 6.728 -2.761 1.00 0.00 C ATOM 0 H ILE A 31 -5.003 8.710 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.209 8.408 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.744 7.061 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.796 8.081 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.891 6.390 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.724 4.948 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.187 5.829 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.372 5.849 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.835 6.755 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.387 5.726 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.291 7.442 -2.079 1.00 0.00 H new ATOM 454 N CYS A 32 -4.668 10.035 -5.589 1.00 0.00 N ATOM 455 CA CYS A 32 -5.328 11.195 -6.176 1.00 0.00 C ATOM 456 C CYS A 32 -6.484 10.766 -7.074 1.00 0.00 C ATOM 457 O CYS A 32 -6.294 10.020 -8.035 1.00 0.00 O ATOM 458 CB CYS A 32 -4.326 12.027 -6.977 1.00 0.00 C ATOM 459 SG CYS A 32 -4.921 13.677 -7.418 1.00 0.00 S ATOM 0 H CYS A 32 -3.939 9.625 -6.173 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.728 11.804 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.408 12.126 -6.398 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.071 11.489 -7.890 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.003 14.304 -8.091 1.00 0.00 H new ATOM 465 N CYS A 33 -7.683 11.241 -6.754 1.00 0.00 N ATOM 466 CA CYS A 33 -8.871 10.906 -7.529 1.00 0.00 C ATOM 467 C CYS A 33 -8.901 11.684 -8.842 1.00 0.00 C ATOM 468 O CYS A 33 -8.173 12.662 -9.013 1.00 0.00 O ATOM 469 CB CYS A 33 -10.135 11.203 -6.719 1.00 0.00 C ATOM 470 SG CYS A 33 -11.654 10.486 -7.423 1.00 0.00 S ATOM 0 H CYS A 33 -7.857 11.860 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.836 9.841 -7.758 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.002 10.823 -5.706 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.258 12.283 -6.641 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.452 10.130 -6.461 1.00 0.00 H new ATOM 475 N ASP A 34 -9.748 11.242 -9.765 1.00 0.00 N ATOM 476 CA ASP A 34 -9.875 11.897 -11.062 1.00 0.00 C ATOM 477 C ASP A 34 -11.201 12.643 -11.167 1.00 0.00 C ATOM 478 O ASP A 34 -11.356 13.541 -11.994 1.00 0.00 O ATOM 479 CB ASP A 34 -9.762 10.869 -12.189 1.00 0.00 C ATOM 480 CG ASP A 34 -8.401 10.204 -12.232 1.00 0.00 C ATOM 481 OD1 ASP A 34 -7.411 10.852 -11.834 1.00 0.00 O ATOM 482 OD2 ASP A 34 -8.325 9.034 -12.665 1.00 0.00 O ATOM 0 H ASP A 34 -10.357 10.433 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.065 12.620 -11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.531 10.107 -12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.954 11.358 -13.144 1.00 0.00 H new ATOM 487 N ARG A 35 -12.156 12.263 -10.324 1.00 0.00 N ATOM 488 CA ARG A 35 -13.470 12.894 -10.324 1.00 0.00 C ATOM 489 C ARG A 35 -13.481 14.128 -9.427 1.00 0.00 C ATOM 490 O ARG A 35 -13.695 15.247 -9.894 1.00 0.00 O ATOM 491 CB ARG A 35 -14.536 11.901 -9.856 1.00 0.00 C ATOM 492 CG ARG A 35 -14.986 10.935 -10.939 1.00 0.00 C ATOM 493 CD ARG A 35 -16.195 11.466 -11.694 1.00 0.00 C ATOM 494 NE ARG A 35 -15.811 12.362 -12.781 1.00 0.00 N ATOM 495 CZ ARG A 35 -16.550 12.558 -13.867 1.00 0.00 C ATOM 496 NH1 ARG A 35 -17.705 11.924 -14.010 1.00 0.00 N ATOM 497 NH2 ARG A 35 -16.133 13.389 -14.814 1.00 0.00 N ATOM 0 H ARG A 35 -12.044 11.521 -9.633 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.695 13.205 -11.344 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.145 11.332 -9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.402 12.455 -9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.167 10.763 -11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.230 9.972 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.766 10.630 -12.098 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.851 11.995 -11.002 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.927 12.865 -12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.028 11.284 -13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.270 12.076 -14.845 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.244 13.878 -14.708 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.701 13.539 -15.648 1.00 0.00 H new ATOM 511 N CYS A 36 -13.248 13.917 -8.136 1.00 0.00 N ATOM 512 CA CYS A 36 -13.232 15.011 -7.172 1.00 0.00 C ATOM 513 C CYS A 36 -11.824 15.581 -7.021 1.00 0.00 C ATOM 514 O CYS A 36 -11.640 16.664 -6.467 1.00 0.00 O ATOM 515 CB CYS A 36 -13.747 14.530 -5.814 1.00 0.00 C ATOM 516 SG CYS A 36 -12.695 13.270 -5.023 1.00 0.00 S ATOM 0 H CYS A 36 -13.068 12.998 -7.733 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.887 15.799 -7.543 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.834 15.387 -5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.750 14.123 -5.941 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.417 12.335 -5.883 1.00 0.00 H new ATOM 521 N GLU A 37 -10.836 14.844 -7.519 1.00 0.00 N ATOM 522 CA GLU A 37 -9.446 15.277 -7.439 1.00 0.00 C ATOM 523 C GLU A 37 -9.068 15.630 -6.003 1.00 0.00 C ATOM 524 O GLU A 37 -8.585 16.729 -5.731 1.00 0.00 O ATOM 525 CB GLU A 37 -9.211 16.482 -8.351 1.00 0.00 C ATOM 526 CG GLU A 37 -9.632 16.247 -9.792 1.00 0.00 C ATOM 527 CD GLU A 37 -9.236 17.387 -10.710 1.00 0.00 C ATOM 528 OE1 GLU A 37 -8.105 17.897 -10.569 1.00 0.00 O ATOM 529 OE2 GLU A 37 -10.057 17.769 -11.570 1.00 0.00 O ATOM 0 H GLU A 37 -10.972 13.945 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.815 14.452 -7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.759 17.338 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.153 16.743 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.181 15.322 -10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.713 16.111 -9.833 1.00 0.00 H new ATOM 536 N GLU A 38 -9.293 14.691 -5.090 1.00 0.00 N ATOM 537 CA GLU A 38 -8.978 14.904 -3.682 1.00 0.00 C ATOM 538 C GLU A 38 -8.055 13.807 -3.160 1.00 0.00 C ATOM 539 O GLU A 38 -7.877 12.772 -3.803 1.00 0.00 O ATOM 540 CB GLU A 38 -10.261 14.946 -2.850 1.00 0.00 C ATOM 541 CG GLU A 38 -10.855 16.338 -2.718 1.00 0.00 C ATOM 542 CD GLU A 38 -11.618 16.526 -1.420 1.00 0.00 C ATOM 543 OE1 GLU A 38 -12.313 15.578 -0.999 1.00 0.00 O ATOM 544 OE2 GLU A 38 -11.520 17.620 -0.827 1.00 0.00 O ATOM 0 H GLU A 38 -9.692 13.776 -5.300 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.464 15.861 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.000 14.286 -3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.052 14.553 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.056 17.077 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.523 16.525 -3.558 1.00 0.00 H new ATOM 551 N TRP A 39 -7.471 14.041 -1.990 1.00 0.00 N ATOM 552 CA TRP A 39 -6.566 13.073 -1.381 1.00 0.00 C ATOM 553 C TRP A 39 -7.246 12.341 -0.230 1.00 0.00 C ATOM 554 O TRP A 39 -7.626 12.952 0.770 1.00 0.00 O ATOM 555 CB TRP A 39 -5.300 13.772 -0.880 1.00 0.00 C ATOM 556 CG TRP A 39 -4.346 14.131 -1.979 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.135 15.372 -2.509 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.475 13.239 -2.683 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.185 15.305 -3.499 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.764 14.008 -3.625 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.225 11.866 -2.607 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.823 13.447 -4.484 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.290 11.311 -3.461 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.598 12.101 -4.388 1.00 0.00 C ATOM 0 H TRP A 39 -7.608 14.892 -1.445 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.292 12.341 -2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.582 14.678 -0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.793 13.123 -0.166 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.641 16.273 -2.196 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.848 16.094 -4.051 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.753 11.250 -1.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.289 14.053 -5.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.090 10.251 -3.413 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.872 11.638 -5.040 1.00 0.00 H new ATOM 575 N PHE A 40 -7.397 11.029 -0.375 1.00 0.00 N ATOM 576 CA PHE A 40 -8.033 10.214 0.653 1.00 0.00 C ATOM 577 C PHE A 40 -7.122 9.066 1.078 1.00 0.00 C ATOM 578 O PHE A 40 -6.114 8.786 0.429 1.00 0.00 O ATOM 579 CB PHE A 40 -9.366 9.661 0.144 1.00 0.00 C ATOM 580 CG PHE A 40 -10.223 10.691 -0.533 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.954 11.602 0.213 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.299 10.749 -1.915 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.744 12.552 -0.407 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.087 11.697 -2.541 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.811 12.599 -1.785 1.00 0.00 C ATOM 0 H PHE A 40 -7.087 10.507 -1.195 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.218 10.848 1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.170 8.847 -0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.917 9.235 0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.906 11.569 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.736 10.045 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.308 13.257 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.137 11.732 -3.619 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.428 13.340 -2.271 1.00 0.00 H new ATOM 595 N HIS A 41 -7.484 8.405 2.173 1.00 0.00 N ATOM 596 CA HIS A 41 -6.700 7.288 2.686 1.00 0.00 C ATOM 597 C HIS A 41 -7.177 5.969 2.085 1.00 0.00 C ATOM 598 O HIS A 41 -8.339 5.592 2.232 1.00 0.00 O ATOM 599 CB HIS A 41 -6.792 7.230 4.211 1.00 0.00 C ATOM 600 CG HIS A 41 -6.357 8.494 4.886 1.00 0.00 C ATOM 601 ND1 HIS A 41 -7.145 9.174 5.790 1.00 0.00 N ATOM 602 CD2 HIS A 41 -5.206 9.200 4.786 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.499 10.245 6.215 1.00 0.00 C ATOM 604 NE2 HIS A 41 -5.320 10.284 5.621 1.00 0.00 N ATOM 0 H HIS A 41 -8.315 8.624 2.722 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.660 7.443 2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.821 7.011 4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.178 6.405 4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.357 8.956 4.165 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.872 10.966 6.927 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.610 11.003 5.760 1.00 0.00 H new ATOM 612 N GLY A 42 -6.270 5.271 1.407 1.00 0.00 N ATOM 613 CA GLY A 42 -6.618 4.002 0.794 1.00 0.00 C ATOM 614 C GLY A 42 -7.602 3.205 1.627 1.00 0.00 C ATOM 615 O GLY A 42 -8.481 2.532 1.088 1.00 0.00 O ATOM 0 H GLY A 42 -5.302 5.561 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.045 4.184 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.713 3.414 0.645 1.00 0.00 H new ATOM 619 N ASP A 43 -7.454 3.280 2.945 1.00 0.00 N ATOM 620 CA ASP A 43 -8.337 2.559 3.856 1.00 0.00 C ATOM 621 C ASP A 43 -9.717 3.208 3.901 1.00 0.00 C ATOM 622 O ASP A 43 -10.738 2.528 3.791 1.00 0.00 O ATOM 623 CB ASP A 43 -7.733 2.517 5.260 1.00 0.00 C ATOM 624 CG ASP A 43 -6.498 1.641 5.332 1.00 0.00 C ATOM 625 OD1 ASP A 43 -5.847 1.444 4.285 1.00 0.00 O ATOM 626 OD2 ASP A 43 -6.182 1.150 6.437 1.00 0.00 O ATOM 0 H ASP A 43 -6.731 3.832 3.407 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.446 1.539 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.476 3.529 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.479 2.147 5.963 1.00 0.00 H new ATOM 631 N CYS A 44 -9.740 4.526 4.067 1.00 0.00 N ATOM 632 CA CYS A 44 -10.994 5.267 4.129 1.00 0.00 C ATOM 633 C CYS A 44 -11.821 5.044 2.867 1.00 0.00 C ATOM 634 O CYS A 44 -13.039 4.875 2.931 1.00 0.00 O ATOM 635 CB CYS A 44 -10.719 6.761 4.315 1.00 0.00 C ATOM 636 SG CYS A 44 -10.614 7.287 6.056 1.00 0.00 S ATOM 0 H CYS A 44 -8.904 5.103 4.161 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.562 4.900 4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.784 7.013 3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.508 7.329 3.822 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.311 8.550 6.110 1.00 0.00 H new ATOM 641 N VAL A 45 -11.151 5.045 1.719 1.00 0.00 N ATOM 642 CA VAL A 45 -11.823 4.842 0.441 1.00 0.00 C ATOM 643 C VAL A 45 -11.907 3.359 0.094 1.00 0.00 C ATOM 644 O VAL A 45 -12.813 2.928 -0.619 1.00 0.00 O ATOM 645 CB VAL A 45 -11.099 5.584 -0.698 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.277 7.087 -0.554 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.624 5.213 -0.722 1.00 0.00 C ATOM 0 H VAL A 45 -10.143 5.184 1.648 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.830 5.246 0.545 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.542 5.279 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.759 7.594 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.338 7.333 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.862 7.413 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.128 5.746 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.164 5.487 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.521 4.139 -0.878 1.00 0.00 H new ATOM 657 N GLY A 46 -10.956 2.583 0.604 1.00 0.00 N ATOM 658 CA GLY A 46 -10.941 1.156 0.338 1.00 0.00 C ATOM 659 C GLY A 46 -9.672 0.710 -0.360 1.00 0.00 C ATOM 660 O GLY A 46 -9.056 -0.281 0.032 1.00 0.00 O ATOM 0 H GLY A 46 -10.196 2.917 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.045 0.613 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.802 0.895 -0.278 1.00 0.00 H new ATOM 664 N ILE A 47 -9.282 1.442 -1.398 1.00 0.00 N ATOM 665 CA ILE A 47 -8.078 1.115 -2.153 1.00 0.00 C ATOM 666 C ILE A 47 -6.924 0.760 -1.221 1.00 0.00 C ATOM 667 O ILE A 47 -6.666 1.459 -0.242 1.00 0.00 O ATOM 668 CB ILE A 47 -7.649 2.282 -3.061 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.698 2.525 -4.148 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.290 1.997 -3.684 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.022 1.291 -4.961 1.00 0.00 C ATOM 0 H ILE A 47 -9.782 2.265 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.319 0.252 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.567 3.183 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.612 2.895 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.341 3.308 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.001 2.831 -4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.548 1.869 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.347 1.086 -4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.772 1.537 -5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.118 0.933 -5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.409 0.513 -4.303 1.00 0.00 H new ATOM 683 N SER A 48 -6.233 -0.331 -1.534 1.00 0.00 N ATOM 684 CA SER A 48 -5.107 -0.781 -0.724 1.00 0.00 C ATOM 685 C SER A 48 -3.782 -0.461 -1.409 1.00 0.00 C ATOM 686 O SER A 48 -3.732 -0.257 -2.622 1.00 0.00 O ATOM 687 CB SER A 48 -5.209 -2.285 -0.462 1.00 0.00 C ATOM 688 OG SER A 48 -4.620 -2.627 0.781 1.00 0.00 O ATOM 0 H SER A 48 -6.433 -0.920 -2.343 1.00 0.00 H new ATOM 0 HA SER A 48 -5.141 -0.250 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.256 -2.588 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.715 -2.832 -1.265 1.00 0.00 H new ATOM 0 HG SER A 48 -4.700 -3.593 0.926 1.00 0.00 H new ATOM 694 N GLU A 49 -2.711 -0.420 -0.623 1.00 0.00 N ATOM 695 CA GLU A 49 -1.385 -0.124 -1.154 1.00 0.00 C ATOM 696 C GLU A 49 -1.110 -0.937 -2.415 1.00 0.00 C ATOM 697 O GLU A 49 -0.660 -0.400 -3.427 1.00 0.00 O ATOM 698 CB GLU A 49 -0.314 -0.416 -0.101 1.00 0.00 C ATOM 699 CG GLU A 49 0.957 0.398 -0.284 1.00 0.00 C ATOM 700 CD GLU A 49 2.024 0.051 0.735 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.663 -0.274 1.886 1.00 0.00 O ATOM 702 OE2 GLU A 49 3.221 0.104 0.382 1.00 0.00 O ATOM 0 H GLU A 49 -2.735 -0.588 0.383 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.352 0.935 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.725 -0.215 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.064 -1.476 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.350 0.231 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.719 1.459 -0.208 1.00 0.00 H new ATOM 709 N ALA A 50 -1.384 -2.236 -2.346 1.00 0.00 N ATOM 710 CA ALA A 50 -1.168 -3.124 -3.482 1.00 0.00 C ATOM 711 C ALA A 50 -1.983 -2.677 -4.691 1.00 0.00 C ATOM 712 O ALA A 50 -1.520 -2.762 -5.828 1.00 0.00 O ATOM 713 CB ALA A 50 -1.520 -4.556 -3.106 1.00 0.00 C ATOM 0 H ALA A 50 -1.756 -2.697 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.113 -3.079 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.354 -5.209 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.891 -4.880 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.567 -4.607 -2.808 1.00 0.00 H new ATOM 719 N ARG A 51 -3.197 -2.201 -4.437 1.00 0.00 N ATOM 720 CA ARG A 51 -4.077 -1.742 -5.505 1.00 0.00 C ATOM 721 C ARG A 51 -3.586 -0.417 -6.082 1.00 0.00 C ATOM 722 O ARG A 51 -3.282 -0.321 -7.271 1.00 0.00 O ATOM 723 CB ARG A 51 -5.507 -1.586 -4.986 1.00 0.00 C ATOM 724 CG ARG A 51 -6.374 -2.815 -5.207 1.00 0.00 C ATOM 725 CD ARG A 51 -6.781 -2.953 -6.666 1.00 0.00 C ATOM 726 NE ARG A 51 -7.859 -3.922 -6.843 1.00 0.00 N ATOM 727 CZ ARG A 51 -8.399 -4.214 -8.022 1.00 0.00 C ATOM 728 NH1 ARG A 51 -7.962 -3.615 -9.121 1.00 0.00 N ATOM 729 NH2 ARG A 51 -9.377 -5.107 -8.102 1.00 0.00 N ATOM 0 H ARG A 51 -3.594 -2.123 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.066 -2.490 -6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.475 -1.362 -3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.971 -0.731 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.831 -3.706 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.266 -2.750 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.099 -1.983 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.917 -3.259 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.217 -4.401 -6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.210 -2.928 -9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.378 -3.841 -10.025 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.715 -5.570 -7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.791 -5.330 -9.007 1.00 0.00 H new ATOM 743 N GLY A 52 -3.513 0.602 -5.232 1.00 0.00 N ATOM 744 CA GLY A 52 -3.060 1.907 -5.676 1.00 0.00 C ATOM 745 C GLY A 52 -1.712 1.849 -6.368 1.00 0.00 C ATOM 746 O GLY A 52 -1.500 2.510 -7.384 1.00 0.00 O ATOM 0 H GLY A 52 -3.759 0.547 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.797 2.331 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.996 2.577 -4.819 1.00 0.00 H new ATOM 750 N ARG A 53 -0.799 1.056 -5.816 1.00 0.00 N ATOM 751 CA ARG A 53 0.536 0.917 -6.385 1.00 0.00 C ATOM 752 C ARG A 53 0.460 0.488 -7.848 1.00 0.00 C ATOM 753 O ARG A 53 1.111 1.075 -8.713 1.00 0.00 O ATOM 754 CB ARG A 53 1.351 -0.101 -5.586 1.00 0.00 C ATOM 755 CG ARG A 53 2.119 0.510 -4.426 1.00 0.00 C ATOM 756 CD ARG A 53 3.509 0.957 -4.852 1.00 0.00 C ATOM 757 NE ARG A 53 4.240 1.590 -3.758 1.00 0.00 N ATOM 758 CZ ARG A 53 5.564 1.702 -3.727 1.00 0.00 C ATOM 759 NH1 ARG A 53 6.296 1.227 -4.724 1.00 0.00 N ATOM 760 NH2 ARG A 53 6.156 2.291 -2.696 1.00 0.00 N ATOM 0 H ARG A 53 -0.960 0.500 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 53 1.029 1.888 -6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.680 -0.870 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.054 -0.597 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.566 1.363 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.201 -0.218 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.072 0.096 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.426 1.656 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 53 3.706 1.967 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.844 0.774 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.312 1.314 -4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.595 2.658 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.172 2.377 -2.672 1.00 0.00 H new ATOM 774 N LEU A 54 -0.337 -0.540 -8.117 1.00 0.00 N ATOM 775 CA LEU A 54 -0.497 -1.049 -9.475 1.00 0.00 C ATOM 776 C LEU A 54 -1.125 0.006 -10.381 1.00 0.00 C ATOM 777 O LEU A 54 -0.521 0.434 -11.365 1.00 0.00 O ATOM 778 CB LEU A 54 -1.360 -2.312 -9.469 1.00 0.00 C ATOM 779 CG LEU A 54 -0.632 -3.621 -9.164 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.628 -4.754 -8.969 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.350 -3.957 -10.277 1.00 0.00 C ATOM 0 H LEU A 54 -0.882 -1.037 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 54 0.491 -1.294 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.154 -2.182 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.840 -2.405 -10.443 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.071 -3.495 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.091 -5.677 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.291 -4.517 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.217 -4.881 -9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.859 -4.892 -10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.189 -4.063 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.084 -3.157 -10.368 1.00 0.00 H new ATOM 793 N LEU A 55 -2.340 0.422 -10.041 1.00 0.00 N ATOM 794 CA LEU A 55 -3.050 1.429 -10.823 1.00 0.00 C ATOM 795 C LEU A 55 -2.080 2.456 -11.397 1.00 0.00 C ATOM 796 O LEU A 55 -2.280 2.962 -12.501 1.00 0.00 O ATOM 797 CB LEU A 55 -4.099 2.129 -9.956 1.00 0.00 C ATOM 798 CG LEU A 55 -5.171 1.229 -9.341 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.042 2.019 -8.377 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.021 0.592 -10.431 1.00 0.00 C ATOM 0 H LEU A 55 -2.854 0.078 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.549 0.926 -11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.585 2.651 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.594 2.888 -10.562 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.676 0.435 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.799 1.362 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.423 2.428 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.529 2.834 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.779 -0.045 -9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.507 1.373 -11.016 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.386 -0.008 -11.083 1.00 0.00 H new ATOM 812 N GLU A 56 -1.028 2.756 -10.642 1.00 0.00 N ATOM 813 CA GLU A 56 -0.027 3.722 -11.078 1.00 0.00 C ATOM 814 C GLU A 56 0.698 3.228 -12.327 1.00 0.00 C ATOM 815 O GLU A 56 0.578 3.818 -13.401 1.00 0.00 O ATOM 816 CB GLU A 56 0.983 3.983 -9.958 1.00 0.00 C ATOM 817 CG GLU A 56 1.753 5.282 -10.124 1.00 0.00 C ATOM 818 CD GLU A 56 0.872 6.428 -10.583 1.00 0.00 C ATOM 819 OE1 GLU A 56 -0.263 6.545 -10.075 1.00 0.00 O ATOM 820 OE2 GLU A 56 1.318 7.208 -11.450 1.00 0.00 O ATOM 0 H GLU A 56 -0.847 2.344 -9.726 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.539 4.653 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.457 4.001 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.690 3.154 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.221 5.546 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.556 5.134 -10.846 1.00 0.00 H new ATOM 827 N ARG A 57 1.450 2.143 -12.177 1.00 0.00 N ATOM 828 CA ARG A 57 2.196 1.570 -13.291 1.00 0.00 C ATOM 829 C ARG A 57 1.253 1.130 -14.407 1.00 0.00 C ATOM 830 O ARG A 57 1.467 1.449 -15.576 1.00 0.00 O ATOM 831 CB ARG A 57 3.031 0.380 -12.816 1.00 0.00 C ATOM 832 CG ARG A 57 2.206 -0.734 -12.195 1.00 0.00 C ATOM 833 CD ARG A 57 3.090 -1.845 -11.649 1.00 0.00 C ATOM 834 NE ARG A 57 3.852 -2.506 -12.704 1.00 0.00 N ATOM 835 CZ ARG A 57 3.343 -3.435 -13.507 1.00 0.00 C ATOM 836 NH1 ARG A 57 2.078 -3.809 -13.375 1.00 0.00 N ATOM 837 NH2 ARG A 57 4.100 -3.991 -14.444 1.00 0.00 N ATOM 0 H ARG A 57 1.559 1.643 -11.295 1.00 0.00 H new ATOM 0 HA ARG A 57 2.862 2.339 -13.683 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.590 -0.021 -13.661 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.763 0.728 -12.087 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.592 -0.328 -11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.525 -1.143 -12.941 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.777 -1.432 -10.910 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.472 -2.580 -11.133 1.00 0.00 H new ATOM 0 HE ARG A 57 4.828 -2.241 -12.832 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.493 -3.384 -12.656 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.690 -4.522 -13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.074 -3.706 -14.549 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.708 -4.704 -15.060 1.00 0.00 H new ATOM 851 N ASN A 58 0.210 0.394 -14.037 1.00 0.00 N ATOM 852 CA ASN A 58 -0.765 -0.092 -15.007 1.00 0.00 C ATOM 853 C ASN A 58 -1.273 1.048 -15.885 1.00 0.00 C ATOM 854 O ASN A 58 -1.415 0.895 -17.098 1.00 0.00 O ATOM 855 CB ASN A 58 -1.940 -0.760 -14.290 1.00 0.00 C ATOM 856 CG ASN A 58 -1.689 -2.230 -14.015 1.00 0.00 C ATOM 857 OD1 ASN A 58 -1.045 -2.920 -14.805 1.00 0.00 O ATOM 858 ND2 ASN A 58 -2.199 -2.716 -12.889 1.00 0.00 N ATOM 0 H ASN A 58 0.018 0.121 -13.073 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.272 -0.826 -15.644 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.128 -0.244 -13.349 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.839 -0.655 -14.897 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.063 -3.698 -12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.726 -2.107 -12.263 1.00 0.00 H new ATOM 865 N GLY A 59 -1.544 2.192 -15.263 1.00 0.00 N ATOM 866 CA GLY A 59 -2.032 3.341 -16.003 1.00 0.00 C ATOM 867 C GLY A 59 -3.546 3.401 -16.047 1.00 0.00 C ATOM 868 O GLY A 59 -4.131 3.712 -17.085 1.00 0.00 O ATOM 0 H GLY A 59 -1.434 2.343 -14.260 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.648 4.253 -15.546 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.643 3.306 -17.021 1.00 0.00 H new ATOM 872 N GLU A 60 -4.182 3.102 -14.919 1.00 0.00 N ATOM 873 CA GLU A 60 -5.638 3.122 -14.835 1.00 0.00 C ATOM 874 C GLU A 60 -6.129 4.425 -14.212 1.00 0.00 C ATOM 875 O GLU A 60 -5.338 5.319 -13.912 1.00 0.00 O ATOM 876 CB GLU A 60 -6.140 1.931 -14.016 1.00 0.00 C ATOM 877 CG GLU A 60 -6.103 0.613 -14.771 1.00 0.00 C ATOM 878 CD GLU A 60 -6.677 0.727 -16.170 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.630 1.513 -16.358 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.175 0.031 -17.077 1.00 0.00 O ATOM 0 H GLU A 60 -3.713 2.843 -14.051 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.036 3.051 -15.847 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.535 1.840 -13.114 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.163 2.127 -13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.073 0.262 -14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.663 -0.137 -14.213 1.00 0.00 H new ATOM 887 N ASP A 61 -7.440 4.526 -14.022 1.00 0.00 N ATOM 888 CA ASP A 61 -8.039 5.719 -13.435 1.00 0.00 C ATOM 889 C ASP A 61 -8.800 5.373 -12.159 1.00 0.00 C ATOM 890 O ASP A 61 -9.907 4.837 -12.210 1.00 0.00 O ATOM 891 CB ASP A 61 -8.978 6.391 -14.437 1.00 0.00 C ATOM 892 CG ASP A 61 -8.240 6.940 -15.643 1.00 0.00 C ATOM 893 OD1 ASP A 61 -7.483 6.175 -16.275 1.00 0.00 O ATOM 894 OD2 ASP A 61 -8.421 8.136 -15.954 1.00 0.00 O ATOM 0 H ASP A 61 -8.109 3.795 -14.266 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.236 6.411 -13.182 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.726 5.671 -14.769 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.513 7.201 -13.942 1.00 0.00 H new ATOM 899 N TYR A 62 -8.199 5.683 -11.015 1.00 0.00 N ATOM 900 CA TYR A 62 -8.819 5.402 -9.726 1.00 0.00 C ATOM 901 C TYR A 62 -9.970 6.365 -9.453 1.00 0.00 C ATOM 902 O TYR A 62 -9.825 7.579 -9.593 1.00 0.00 O ATOM 903 CB TYR A 62 -7.782 5.500 -8.606 1.00 0.00 C ATOM 904 CG TYR A 62 -8.360 5.946 -7.282 1.00 0.00 C ATOM 905 CD1 TYR A 62 -8.865 5.022 -6.375 1.00 0.00 C ATOM 906 CD2 TYR A 62 -8.403 7.291 -6.938 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.395 5.425 -5.165 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.929 7.703 -5.729 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.425 6.767 -4.846 1.00 0.00 C ATOM 910 OH TYR A 62 -9.952 7.173 -3.642 1.00 0.00 O ATOM 0 H TYR A 62 -7.284 6.129 -10.955 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.217 4.388 -9.757 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.307 4.528 -8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.001 6.199 -8.906 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.843 3.971 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.018 8.028 -7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.784 4.694 -4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.952 8.753 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.687 8.100 -3.465 1.00 0.00 H new ATOM 920 N ILE A 63 -11.114 5.813 -9.063 1.00 0.00 N ATOM 921 CA ILE A 63 -12.291 6.622 -8.768 1.00 0.00 C ATOM 922 C ILE A 63 -12.797 6.362 -7.354 1.00 0.00 C ATOM 923 O ILE A 63 -13.574 5.436 -7.121 1.00 0.00 O ATOM 924 CB ILE A 63 -13.429 6.344 -9.768 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.956 6.608 -11.199 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.643 7.201 -9.440 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.820 8.077 -11.530 1.00 0.00 C ATOM 0 H ILE A 63 -11.251 4.809 -8.944 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.987 7.665 -8.856 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.715 5.295 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.994 6.119 -11.351 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.659 6.151 -11.895 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.439 6.993 -10.155 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.991 6.969 -8.433 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.370 8.255 -9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.481 8.188 -12.560 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.786 8.568 -11.411 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.095 8.536 -10.858 1.00 0.00 H new ATOM 939 N CYS A 64 -12.352 7.186 -6.411 1.00 0.00 N ATOM 940 CA CYS A 64 -12.760 7.048 -5.019 1.00 0.00 C ATOM 941 C CYS A 64 -14.250 6.731 -4.917 1.00 0.00 C ATOM 942 O CYS A 64 -15.037 7.036 -5.813 1.00 0.00 O ATOM 943 CB CYS A 64 -12.446 8.329 -4.243 1.00 0.00 C ATOM 944 SG CYS A 64 -13.805 9.542 -4.230 1.00 0.00 S ATOM 0 H CYS A 64 -11.708 7.957 -6.587 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.200 6.221 -4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.198 8.067 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.561 8.795 -4.676 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.533 10.489 -3.382 1.00 0.00 H new ATOM 949 N PRO A 65 -14.646 6.104 -3.800 1.00 0.00 N ATOM 950 CA PRO A 65 -16.043 5.732 -3.554 1.00 0.00 C ATOM 951 C PRO A 65 -16.930 6.947 -3.305 1.00 0.00 C ATOM 952 O PRO A 65 -17.966 7.113 -3.948 1.00 0.00 O ATOM 953 CB PRO A 65 -15.962 4.862 -2.297 1.00 0.00 C ATOM 954 CG PRO A 65 -14.723 5.311 -1.604 1.00 0.00 C ATOM 955 CD PRO A 65 -13.762 5.710 -2.690 1.00 0.00 C ATOM 0 HA PRO A 65 -16.488 5.226 -4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.840 4.997 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.912 3.803 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.930 6.149 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.308 4.512 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.120 6.533 -2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.108 4.885 -2.971 1.00 0.00 H new ATOM 963 N ASN A 66 -16.517 7.794 -2.367 1.00 0.00 N ATOM 964 CA ASN A 66 -17.276 8.994 -2.033 1.00 0.00 C ATOM 965 C ASN A 66 -17.823 9.660 -3.292 1.00 0.00 C ATOM 966 O ASN A 66 -18.858 10.325 -3.256 1.00 0.00 O ATOM 967 CB ASN A 66 -16.396 9.980 -1.262 1.00 0.00 C ATOM 968 CG ASN A 66 -17.084 11.313 -1.035 1.00 0.00 C ATOM 969 OD1 ASN A 66 -17.174 12.118 -2.087 1.00 0.00 O flip ATOM 970 ND2 ASN A 66 -17.528 11.614 0.073 1.00 0.00 N flip ATOM 0 H ASN A 66 -15.662 7.672 -1.825 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.117 8.699 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.125 9.545 -0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.469 10.142 -1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.436 10.963 0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.988 12.514 0.211 1.00 0.00 H new ATOM 977 N CYS A 67 -17.120 9.475 -4.405 1.00 0.00 N ATOM 978 CA CYS A 67 -17.534 10.057 -5.676 1.00 0.00 C ATOM 979 C CYS A 67 -18.688 9.266 -6.286 1.00 0.00 C ATOM 980 O CYS A 67 -19.807 9.767 -6.401 1.00 0.00 O ATOM 981 CB CYS A 67 -16.356 10.094 -6.651 1.00 0.00 C ATOM 982 SG CYS A 67 -15.396 11.642 -6.598 1.00 0.00 S ATOM 0 H CYS A 67 -16.261 8.927 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.874 11.075 -5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.691 9.259 -6.432 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.731 9.946 -7.664 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.462 11.543 -5.699 1.00 0.00 H new ATOM 987 N THR A 68 -18.408 8.027 -6.677 1.00 0.00 N ATOM 988 CA THR A 68 -19.421 7.167 -7.275 1.00 0.00 C ATOM 989 C THR A 68 -20.629 7.019 -6.358 1.00 0.00 C ATOM 990 O THR A 68 -21.772 7.158 -6.794 1.00 0.00 O ATOM 991 CB THR A 68 -18.856 5.769 -7.591 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.647 5.889 -8.349 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.867 4.939 -8.367 1.00 0.00 C ATOM 0 H THR A 68 -17.487 7.597 -6.590 1.00 0.00 H new ATOM 0 HA THR A 68 -19.731 7.644 -8.205 1.00 0.00 H new ATOM 0 HB THR A 68 -18.644 5.265 -6.648 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.293 4.996 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.445 3.956 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.775 4.825 -7.775 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.106 5.441 -9.305 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.369 6.738 -5.086 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.436 6.573 -4.106 1.00 0.00 C ATOM 1003 C ILE A 69 -22.588 7.533 -4.383 1.00 0.00 C ATOM 1004 O ILE A 69 -23.757 7.147 -4.335 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.924 6.803 -2.672 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.016 5.649 -2.241 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.094 6.951 -1.710 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.256 5.925 -0.963 1.00 0.00 C ATOM 0 H ILE A 69 -19.428 6.620 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.791 5.546 -4.195 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.343 7.725 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.620 4.752 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.304 5.439 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.717 7.113 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.706 7.802 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.699 6.044 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.633 5.065 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.625 6.804 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.961 6.105 -0.152 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.252 8.785 -4.674 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.258 9.801 -4.960 1.00 0.00 C ATOM 1022 C LEU A 70 -23.849 9.604 -6.352 1.00 0.00 C ATOM 1023 O LEU A 70 -25.068 9.552 -6.518 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.647 11.199 -4.846 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.982 11.533 -3.510 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -21.081 12.750 -3.653 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -23.034 11.770 -2.436 1.00 0.00 C ATOM 0 H LEU A 70 -21.290 9.121 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 70 -24.059 9.701 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.906 11.316 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.431 11.933 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.368 10.684 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.616 12.973 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -20.307 12.545 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.674 13.606 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.543 12.006 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.674 12.602 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.639 10.872 -2.315 1.00 0.00 H new