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= 0.492 USER MOD Set 1.2: A 36 CYS SG : rot -95:sc= -2.11 USER MOD Set 1.3: A 64 CYS SG : rot -66:sc= 0.924 USER MOD Set 1.4: A 66 ASN : amide:sc= -3.82! C(o=-5.7!,f=-8.2!) USER MOD Set 1.5: A 67 CYS SG : rot -70:sc= -1.14 USER MOD Set 2.1: A 19 CYS SG : rot 30:sc= -0.584 USER MOD Set 2.2: A 21 CYS SG : rot -75:sc= 0.705 USER MOD Set 2.3: A 23 GLN :FLIP amide:sc= 1.1 F(o=0.37,f=0.98) USER MOD Set 2.4: A 41 HIS :FLIP no HE2:sc= -0.235 X(o=0.55,f=0.98) USER MOD Set 2.5: A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.12) USER MOD Single : A 26 ASN : amide:sc= -0.0323 K(o=-0.032,f=-2.6) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 30 MET CE :methyl 142:sc= -0.173 (180deg=-0.818) 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= -0.285 K(o=-0.29,f=-3) USER MOD Single : A 62 TYR OH : rot 167:sc= -2.27! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -4.708 21.281 7.824 1.00 0.00 N ATOM 185 CA ALA A 16 -4.452 20.182 6.901 1.00 0.00 C ATOM 186 C ALA A 16 -5.668 19.269 6.784 1.00 0.00 C ATOM 187 O ALA A 16 -5.904 18.419 7.644 1.00 0.00 O ATOM 188 CB ALA A 16 -3.234 19.388 7.349 1.00 0.00 C ATOM 0 HA ALA A 16 -4.253 20.606 5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.055 18.571 6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.362 20.042 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.411 18.982 8.345 1.00 0.00 H new ATOM 194 N LEU A 17 -6.437 19.449 5.716 1.00 0.00 N ATOM 195 CA LEU A 17 -7.630 18.641 5.487 1.00 0.00 C ATOM 196 C LEU A 17 -7.739 18.235 4.020 1.00 0.00 C ATOM 197 O LEU A 17 -7.888 19.084 3.140 1.00 0.00 O ATOM 198 CB LEU A 17 -8.881 19.412 5.909 1.00 0.00 C ATOM 199 CG LEU A 17 -8.825 20.083 7.282 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.088 20.892 7.533 1.00 0.00 C ATOM 201 CD2 LEU A 17 -8.630 19.043 8.376 1.00 0.00 C ATOM 0 H LEU A 17 -6.256 20.147 4.995 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.548 17.737 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.081 20.178 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.728 18.726 5.897 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.973 20.763 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.030 21.362 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.185 21.662 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.955 20.233 7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.592 19.538 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.461 18.338 8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.696 18.507 8.206 1.00 0.00 H new ATOM 213 N TYR A 18 -7.667 16.934 3.765 1.00 0.00 N ATOM 214 CA TYR A 18 -7.758 16.415 2.405 1.00 0.00 C ATOM 215 C TYR A 18 -8.824 15.329 2.307 1.00 0.00 C ATOM 216 O TYR A 18 -9.850 15.507 1.649 1.00 0.00 O ATOM 217 CB TYR A 18 -6.405 15.860 1.958 1.00 0.00 C ATOM 218 CG TYR A 18 -5.417 16.929 1.548 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.666 17.752 0.457 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.234 17.116 2.253 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.766 18.730 0.079 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.329 18.092 1.883 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.599 18.896 0.795 1.00 0.00 C ATOM 224 OH TYR A 18 -2.700 19.869 0.423 1.00 0.00 O ATOM 0 H TYR A 18 -7.546 16.219 4.482 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.041 17.237 1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.976 15.273 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.560 15.180 1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.579 17.625 -0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.019 16.488 3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.975 19.361 -0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.415 18.225 2.443 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.932 19.855 1.031 1.00 0.00 H new ATOM 234 N CYS A 19 -8.574 14.202 2.965 1.00 0.00 N ATOM 235 CA CYS A 19 -9.510 13.085 2.954 1.00 0.00 C ATOM 236 C CYS A 19 -10.876 13.515 3.482 1.00 0.00 C ATOM 237 O CYS A 19 -11.012 14.578 4.088 1.00 0.00 O ATOM 238 CB CYS A 19 -8.967 11.928 3.795 1.00 0.00 C ATOM 239 SG CYS A 19 -9.847 10.352 3.548 1.00 0.00 S ATOM 0 H CYS A 19 -7.730 14.038 3.513 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.627 12.752 1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.913 11.784 3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.022 12.202 4.849 1.00 0.00 H new ATOM 0 HG CYS A 19 -10.319 10.304 2.338 1.00 0.00 H new ATOM 244 N ILE A 20 -11.884 12.681 3.248 1.00 0.00 N ATOM 245 CA ILE A 20 -13.238 12.973 3.702 1.00 0.00 C ATOM 246 C ILE A 20 -13.312 13.011 5.224 1.00 0.00 C ATOM 247 O ILE A 20 -14.144 13.713 5.799 1.00 0.00 O ATOM 248 CB ILE A 20 -14.244 11.933 3.176 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.786 10.519 3.537 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.413 12.073 1.670 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.755 9.440 3.106 1.00 0.00 C ATOM 0 H ILE A 20 -11.788 11.798 2.747 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.499 13.953 3.304 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.210 12.113 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.817 10.331 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.642 10.457 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.127 11.331 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.781 13.072 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.452 11.916 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.365 8.464 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.719 9.603 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.880 9.475 2.024 1.00 0.00 H new ATOM 263 N CYS A 21 -12.434 12.253 5.873 1.00 0.00 N ATOM 264 CA CYS A 21 -12.398 12.200 7.329 1.00 0.00 C ATOM 265 C CYS A 21 -11.793 13.477 7.905 1.00 0.00 C ATOM 266 O CYS A 21 -11.671 13.625 9.121 1.00 0.00 O ATOM 267 CB CYS A 21 -11.592 10.986 7.796 1.00 0.00 C ATOM 268 SG CYS A 21 -9.877 10.951 7.184 1.00 0.00 S ATOM 0 H CYS A 21 -11.738 11.667 5.413 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.423 12.109 7.690 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.578 10.970 8.886 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.101 10.079 7.471 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.871 10.613 5.929 1.00 0.00 H new ATOM 273 N ARG A 22 -11.418 14.398 7.023 1.00 0.00 N ATOM 274 CA ARG A 22 -10.826 15.662 7.443 1.00 0.00 C ATOM 275 C ARG A 22 -9.576 15.423 8.285 1.00 0.00 C ATOM 276 O ARG A 22 -9.464 15.926 9.403 1.00 0.00 O ATOM 277 CB ARG A 22 -11.840 16.485 8.238 1.00 0.00 C ATOM 278 CG ARG A 22 -12.669 17.426 7.379 1.00 0.00 C ATOM 279 CD ARG A 22 -13.469 16.665 6.333 1.00 0.00 C ATOM 280 NE ARG A 22 -14.560 17.468 5.787 1.00 0.00 N ATOM 281 CZ ARG A 22 -15.721 17.648 6.406 1.00 0.00 C ATOM 282 NH1 ARG A 22 -15.941 17.085 7.586 1.00 0.00 N ATOM 283 NH2 ARG A 22 -16.665 18.393 5.845 1.00 0.00 N ATOM 0 H ARG A 22 -11.514 14.292 6.013 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.540 16.216 6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.509 15.807 8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.311 17.067 8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.347 17.997 8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.013 18.144 6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.807 16.356 5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.875 15.756 6.778 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.423 17.915 4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.218 16.512 8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.834 17.225 8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.499 18.828 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.556 18.531 6.321 1.00 0.00 H new ATOM 297 N GLN A 23 -8.639 14.654 7.740 1.00 0.00 N ATOM 298 CA GLN A 23 -7.398 14.348 8.442 1.00 0.00 C ATOM 299 C GLN A 23 -6.188 14.641 7.561 1.00 0.00 C ATOM 300 O GLN A 23 -6.257 14.594 6.333 1.00 0.00 O ATOM 301 CB GLN A 23 -7.382 12.882 8.879 1.00 0.00 C ATOM 302 CG GLN A 23 -8.457 12.540 9.899 1.00 0.00 C ATOM 303 CD GLN A 23 -8.322 11.129 10.437 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.535 10.972 11.495 1.00 0.00 O flip ATOM 305 NE2 GLN A 23 -8.919 10.191 9.908 1.00 0.00 N flip ATOM 0 H GLN A 23 -8.715 14.232 6.815 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.344 14.984 9.326 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.511 12.248 8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.405 12.648 9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.405 13.247 10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.439 12.658 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.514 10.358 9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.819 9.247 10.282 1.00 0.00 H new ATOM 314 N PRO A 24 -5.051 14.952 8.202 1.00 0.00 N ATOM 315 CA PRO A 24 -3.804 15.259 7.496 1.00 0.00 C ATOM 316 C PRO A 24 -3.203 14.031 6.820 1.00 0.00 C ATOM 317 O PRO A 24 -3.675 12.910 7.013 1.00 0.00 O ATOM 318 CB PRO A 24 -2.881 15.762 8.608 1.00 0.00 C ATOM 319 CG PRO A 24 -3.407 15.131 9.851 1.00 0.00 C ATOM 320 CD PRO A 24 -4.896 15.027 9.664 1.00 0.00 C ATOM 0 HA PRO A 24 -3.958 15.979 6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.846 15.473 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.901 16.850 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.964 14.148 10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.165 15.733 10.727 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.302 14.144 10.157 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.415 15.891 10.079 1.00 0.00 H new ATOM 328 N HIS A 25 -2.158 14.249 6.027 1.00 0.00 N ATOM 329 CA HIS A 25 -1.492 13.159 5.323 1.00 0.00 C ATOM 330 C HIS A 25 -0.500 12.448 6.238 1.00 0.00 C ATOM 331 O HIS A 25 0.580 12.965 6.520 1.00 0.00 O ATOM 332 CB HIS A 25 -0.771 13.690 4.084 1.00 0.00 C ATOM 333 CG HIS A 25 0.424 12.876 3.692 1.00 0.00 C ATOM 334 ND1 HIS A 25 1.702 13.393 3.637 1.00 0.00 N ATOM 335 CD2 HIS A 25 0.531 11.575 3.336 1.00 0.00 C ATOM 336 CE1 HIS A 25 2.542 12.445 3.263 1.00 0.00 C ATOM 337 NE2 HIS A 25 1.857 11.332 3.074 1.00 0.00 N ATOM 0 H HIS A 25 -1.755 15.170 5.856 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.251 12.441 5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.472 13.717 3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.456 14.717 4.269 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.276 10.861 3.270 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.608 12.560 3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.249 10.437 2.781 1.00 0.00 H new ATOM 346 N ASN A 26 -0.875 11.259 6.699 1.00 0.00 N ATOM 347 CA ASN A 26 -0.018 10.477 7.584 1.00 0.00 C ATOM 348 C ASN A 26 0.575 9.280 6.848 1.00 0.00 C ATOM 349 O ASN A 26 0.211 8.997 5.708 1.00 0.00 O ATOM 350 CB ASN A 26 -0.809 10.000 8.803 1.00 0.00 C ATOM 351 CG ASN A 26 -1.448 11.146 9.563 1.00 0.00 C ATOM 352 OD1 ASN A 26 -1.090 12.308 9.372 1.00 0.00 O ATOM 353 ND2 ASN A 26 -2.400 10.823 10.431 1.00 0.00 N ATOM 0 H ASN A 26 -1.766 10.816 6.475 1.00 0.00 H new ATOM 0 HA ASN A 26 0.799 11.117 7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.584 9.305 8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.146 9.450 9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.866 11.552 10.971 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.665 9.846 10.557 1.00 0.00 H new ATOM 360 N ASN A 27 1.492 8.581 7.509 1.00 0.00 N ATOM 361 CA ASN A 27 2.136 7.414 6.918 1.00 0.00 C ATOM 362 C ASN A 27 1.163 6.648 6.027 1.00 0.00 C ATOM 363 O ASN A 27 1.529 6.182 4.948 1.00 0.00 O ATOM 364 CB ASN A 27 2.674 6.492 8.015 1.00 0.00 C ATOM 365 CG ASN A 27 3.674 5.484 7.483 1.00 0.00 C ATOM 366 OD1 ASN A 27 4.712 5.852 6.933 1.00 0.00 O ATOM 367 ND2 ASN A 27 3.365 4.202 7.646 1.00 0.00 N ATOM 0 H ASN A 27 1.806 8.803 8.454 1.00 0.00 H new ATOM 0 HA ASN A 27 2.967 7.761 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.146 7.093 8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.843 5.964 8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.999 3.478 7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.493 3.942 8.108 1.00 0.00 H new ATOM 374 N ARG A 28 -0.078 6.523 6.486 1.00 0.00 N ATOM 375 CA ARG A 28 -1.104 5.814 5.731 1.00 0.00 C ATOM 376 C ARG A 28 -0.958 6.076 4.235 1.00 0.00 C ATOM 377 O ARG A 28 -0.460 7.125 3.824 1.00 0.00 O ATOM 378 CB ARG A 28 -2.497 6.237 6.200 1.00 0.00 C ATOM 379 CG ARG A 28 -2.739 6.001 7.682 1.00 0.00 C ATOM 380 CD ARG A 28 -4.054 6.614 8.137 1.00 0.00 C ATOM 381 NE ARG A 28 -5.192 5.744 7.849 1.00 0.00 N ATOM 382 CZ ARG A 28 -5.524 4.697 8.597 1.00 0.00 C ATOM 383 NH1 ARG A 28 -4.809 4.392 9.671 1.00 0.00 N ATOM 384 NH2 ARG A 28 -6.573 3.953 8.270 1.00 0.00 N ATOM 0 H ARG A 28 -0.397 6.903 7.377 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.977 4.746 5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.639 7.295 5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.246 5.690 5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.746 4.930 7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.918 6.429 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.011 6.811 9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.197 7.574 7.641 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.763 5.952 7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.002 4.962 9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.066 3.588 10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.125 4.185 7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.827 3.149 8.845 1.00 0.00 H new ATOM 398 N PHE A 29 -1.393 5.117 3.426 1.00 0.00 N ATOM 399 CA PHE A 29 -1.310 5.243 1.975 1.00 0.00 C ATOM 400 C PHE A 29 -2.326 6.257 1.458 1.00 0.00 C ATOM 401 O PHE A 29 -3.445 6.342 1.963 1.00 0.00 O ATOM 402 CB PHE A 29 -1.542 3.886 1.309 1.00 0.00 C ATOM 403 CG PHE A 29 -1.609 3.957 -0.189 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.581 4.536 -0.915 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.701 3.445 -0.872 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.639 4.603 -2.295 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.764 3.508 -2.252 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.733 4.089 -2.963 1.00 0.00 C ATOM 0 H PHE A 29 -1.807 4.243 3.750 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.310 5.596 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.739 3.207 1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.471 3.459 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.276 4.940 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.511 2.992 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.170 5.056 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.619 3.103 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.782 4.141 -4.041 1.00 0.00 H new ATOM 418 N MET A 30 -1.927 7.024 0.449 1.00 0.00 N ATOM 419 CA MET A 30 -2.803 8.032 -0.137 1.00 0.00 C ATOM 420 C MET A 30 -2.783 7.950 -1.660 1.00 0.00 C ATOM 421 O MET A 30 -1.814 7.475 -2.252 1.00 0.00 O ATOM 422 CB MET A 30 -2.380 9.431 0.315 1.00 0.00 C ATOM 423 CG MET A 30 -2.617 9.690 1.794 1.00 0.00 C ATOM 424 SD MET A 30 -4.248 10.385 2.125 1.00 0.00 S ATOM 425 CE MET A 30 -3.842 12.117 2.331 1.00 0.00 C ATOM 0 H MET A 30 -1.003 6.967 0.020 1.00 0.00 H new ATOM 0 HA MET A 30 -3.819 7.839 0.207 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.321 9.570 0.095 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.927 10.173 -0.267 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.506 8.756 2.345 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.853 10.373 2.166 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.626 12.730 1.887 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.759 12.348 3.393 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.893 12.329 1.839 1.00 0.00 H new ATOM 435 N ILE A 31 -3.859 8.414 -2.287 1.00 0.00 N ATOM 436 CA ILE A 31 -3.963 8.394 -3.740 1.00 0.00 C ATOM 437 C ILE A 31 -4.739 9.602 -4.253 1.00 0.00 C ATOM 438 O ILE A 31 -5.531 10.200 -3.524 1.00 0.00 O ATOM 439 CB ILE A 31 -4.652 7.108 -4.237 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.130 7.110 -3.842 1.00 0.00 C ATOM 441 CG2 ILE A 31 -3.949 5.881 -3.676 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.376 6.656 -2.420 1.00 0.00 C ATOM 0 H ILE A 31 -4.671 8.808 -1.811 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.945 8.427 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.587 7.075 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.530 8.116 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.681 6.461 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.447 4.980 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.909 5.876 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.987 5.906 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.445 6.683 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.007 5.638 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.854 7.320 -1.731 1.00 0.00 H new ATOM 454 N CYS A 32 -4.506 9.957 -5.512 1.00 0.00 N ATOM 455 CA CYS A 32 -5.184 11.094 -6.124 1.00 0.00 C ATOM 456 C CYS A 32 -6.345 10.630 -6.997 1.00 0.00 C ATOM 457 O CYS A 32 -6.168 9.812 -7.900 1.00 0.00 O ATOM 458 CB CYS A 32 -4.198 11.913 -6.958 1.00 0.00 C ATOM 459 SG CYS A 32 -4.795 13.562 -7.399 1.00 0.00 S ATOM 0 H CYS A 32 -3.853 9.474 -6.129 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.582 11.721 -5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.265 12.012 -6.404 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.969 11.365 -7.872 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.891 14.177 -8.101 1.00 0.00 H new ATOM 465 N CYS A 33 -7.533 11.157 -6.721 1.00 0.00 N ATOM 466 CA CYS A 33 -8.725 10.796 -7.479 1.00 0.00 C ATOM 467 C CYS A 33 -8.753 11.517 -8.824 1.00 0.00 C ATOM 468 O CYS A 33 -8.009 12.472 -9.044 1.00 0.00 O ATOM 469 CB CYS A 33 -9.985 11.134 -6.680 1.00 0.00 C ATOM 470 SG CYS A 33 -11.498 10.333 -7.303 1.00 0.00 S ATOM 0 H CYS A 33 -7.696 11.836 -5.977 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.697 9.722 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.833 10.841 -5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.129 12.214 -6.689 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.279 10.044 -6.305 1.00 0.00 H new ATOM 475 N ASP A 34 -9.618 11.053 -9.719 1.00 0.00 N ATOM 476 CA ASP A 34 -9.745 11.653 -11.042 1.00 0.00 C ATOM 477 C ASP A 34 -11.079 12.380 -11.183 1.00 0.00 C ATOM 478 O ASP A 34 -11.269 13.177 -12.102 1.00 0.00 O ATOM 479 CB ASP A 34 -9.616 10.582 -12.126 1.00 0.00 C ATOM 480 CG ASP A 34 -10.129 11.056 -13.472 1.00 0.00 C ATOM 481 OD1 ASP A 34 -9.365 11.728 -14.196 1.00 0.00 O ATOM 482 OD2 ASP A 34 -11.295 10.754 -13.802 1.00 0.00 O ATOM 0 H ASP A 34 -10.242 10.263 -9.552 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.941 12.379 -11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.570 10.290 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.169 9.693 -11.822 1.00 0.00 H new ATOM 487 N ARG A 35 -12.000 12.098 -10.268 1.00 0.00 N ATOM 488 CA ARG A 35 -13.317 12.722 -10.292 1.00 0.00 C ATOM 489 C ARG A 35 -13.335 13.986 -9.436 1.00 0.00 C ATOM 490 O ARG A 35 -13.623 15.077 -9.928 1.00 0.00 O ATOM 491 CB ARG A 35 -14.380 11.741 -9.793 1.00 0.00 C ATOM 492 CG ARG A 35 -14.994 10.896 -10.898 1.00 0.00 C ATOM 493 CD ARG A 35 -16.204 11.580 -11.514 1.00 0.00 C ATOM 494 NE ARG A 35 -16.380 11.220 -12.919 1.00 0.00 N ATOM 495 CZ ARG A 35 -17.366 11.683 -13.678 1.00 0.00 C ATOM 496 NH1 ARG A 35 -18.261 12.520 -13.171 1.00 0.00 N ATOM 497 NH2 ARG A 35 -17.459 11.309 -14.948 1.00 0.00 N ATOM 0 H ARG A 35 -11.858 11.441 -9.501 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.542 12.997 -11.322 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.933 11.082 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.171 12.299 -9.292 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.248 10.708 -11.671 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.288 9.927 -10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.099 11.306 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.092 12.661 -11.428 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.709 10.578 -13.340 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.193 12.810 -12.195 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.017 12.874 -13.757 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.773 10.665 -15.342 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.217 11.665 -15.530 1.00 0.00 H new ATOM 511 N CYS A 36 -13.026 13.830 -8.153 1.00 0.00 N ATOM 512 CA CYS A 36 -13.008 14.956 -7.228 1.00 0.00 C ATOM 513 C CYS A 36 -11.586 15.472 -7.028 1.00 0.00 C ATOM 514 O CYS A 36 -11.373 16.499 -6.384 1.00 0.00 O ATOM 515 CB CYS A 36 -13.608 14.547 -5.882 1.00 0.00 C ATOM 516 SG CYS A 36 -12.710 13.200 -5.046 1.00 0.00 S ATOM 0 H CYS A 36 -12.784 12.934 -7.730 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.610 15.757 -7.658 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.629 15.417 -5.226 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.642 14.239 -6.036 1.00 0.00 H new ATOM 0 HG CYS A 36 -13.268 12.062 -5.335 1.00 0.00 H new ATOM 521 N GLU A 37 -10.617 14.753 -7.586 1.00 0.00 N ATOM 522 CA GLU A 37 -9.216 15.138 -7.468 1.00 0.00 C ATOM 523 C GLU A 37 -8.863 15.472 -6.021 1.00 0.00 C ATOM 524 O GLU A 37 -8.260 16.507 -5.742 1.00 0.00 O ATOM 525 CB GLU A 37 -8.917 16.339 -8.367 1.00 0.00 C ATOM 526 CG GLU A 37 -8.827 15.988 -9.843 1.00 0.00 C ATOM 527 CD GLU A 37 -8.469 17.182 -10.706 1.00 0.00 C ATOM 528 OE1 GLU A 37 -7.530 17.919 -10.341 1.00 0.00 O ATOM 529 OE2 GLU A 37 -9.128 17.379 -11.749 1.00 0.00 O ATOM 0 H GLU A 37 -10.777 13.901 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.606 14.293 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.695 17.089 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.977 16.793 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.079 15.207 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.781 15.578 -10.174 1.00 0.00 H new ATOM 536 N GLU A 38 -9.244 14.586 -5.106 1.00 0.00 N ATOM 537 CA GLU A 38 -8.969 14.787 -3.688 1.00 0.00 C ATOM 538 C GLU A 38 -8.113 13.652 -3.134 1.00 0.00 C ATOM 539 O GLU A 38 -8.223 12.507 -3.571 1.00 0.00 O ATOM 540 CB GLU A 38 -10.278 14.884 -2.901 1.00 0.00 C ATOM 541 CG GLU A 38 -10.811 16.302 -2.780 1.00 0.00 C ATOM 542 CD GLU A 38 -11.971 16.408 -1.809 1.00 0.00 C ATOM 543 OE1 GLU A 38 -12.796 15.471 -1.766 1.00 0.00 O ATOM 544 OE2 GLU A 38 -12.053 17.427 -1.091 1.00 0.00 O ATOM 0 H GLU A 38 -9.743 13.723 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.418 15.721 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.031 14.262 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.123 14.477 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.007 16.962 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.131 16.651 -3.762 1.00 0.00 H new ATOM 551 N TRP A 39 -7.260 13.980 -2.170 1.00 0.00 N ATOM 552 CA TRP A 39 -6.383 12.989 -1.556 1.00 0.00 C ATOM 553 C TRP A 39 -7.093 12.267 -0.415 1.00 0.00 C ATOM 554 O TRP A 39 -7.535 12.893 0.548 1.00 0.00 O ATOM 555 CB TRP A 39 -5.108 13.657 -1.039 1.00 0.00 C ATOM 556 CG TRP A 39 -4.185 14.102 -2.132 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.077 15.361 -2.651 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.243 13.291 -2.842 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.124 15.381 -3.641 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.597 14.124 -3.777 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.881 11.943 -2.778 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.612 13.650 -4.639 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -1.903 11.475 -3.635 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.277 12.326 -4.555 1.00 0.00 C ATOM 0 H TRP A 39 -7.157 14.924 -1.797 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.117 12.254 -2.316 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.380 14.519 -0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.580 12.960 -0.388 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.655 16.215 -2.331 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.853 16.199 -4.186 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.357 11.279 -2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.129 14.305 -5.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.616 10.435 -3.595 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.516 11.930 -5.210 1.00 0.00 H new ATOM 575 N PHE A 40 -7.198 10.948 -0.530 1.00 0.00 N ATOM 576 CA PHE A 40 -7.854 10.141 0.492 1.00 0.00 C ATOM 577 C PHE A 40 -6.935 9.024 0.977 1.00 0.00 C ATOM 578 O PHE A 40 -5.849 8.819 0.434 1.00 0.00 O ATOM 579 CB PHE A 40 -9.154 9.547 -0.055 1.00 0.00 C ATOM 580 CG PHE A 40 -10.050 10.561 -0.707 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.839 11.403 0.060 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.103 10.672 -2.087 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.664 12.337 -0.537 1.00 0.00 C ATOM 584 CE2 PHE A 40 -10.925 11.605 -2.690 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.708 12.438 -1.914 1.00 0.00 C ATOM 0 H PHE A 40 -6.837 10.415 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.086 10.788 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.912 8.769 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.695 9.066 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.809 11.328 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.495 10.022 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.274 12.987 0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.955 11.683 -3.767 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.353 13.166 -2.383 1.00 0.00 H new ATOM 595 N HIS A 41 -7.378 8.305 2.004 1.00 0.00 N ATOM 596 CA HIS A 41 -6.596 7.208 2.563 1.00 0.00 C ATOM 597 C HIS A 41 -7.017 5.875 1.953 1.00 0.00 C ATOM 598 O HIS A 41 -8.185 5.493 2.016 1.00 0.00 O ATOM 599 CB HIS A 41 -6.759 7.161 4.083 1.00 0.00 C ATOM 600 CG HIS A 41 -6.284 8.402 4.774 1.00 0.00 C ATOM 601 ND1 HIS A 41 -5.046 8.940 4.878 1.00 0.00 N flip ATOM 602 CD2 HIS A 41 -7.126 9.246 5.467 1.00 0.00 C flip ATOM 603 CE1 HIS A 41 -5.162 10.087 5.623 1.00 0.00 C flip ATOM 604 NE2 HIS A 41 -6.427 10.250 5.966 1.00 0.00 N flip ATOM 0 H HIS A 41 -8.274 8.462 2.466 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.547 7.382 2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.810 7.001 4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.209 6.305 4.473 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -4.187 8.563 4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -8.191 9.108 5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -4.350 10.749 5.886 1.00 0.00 H new ATOM 612 N GLY A 42 -6.057 5.170 1.362 1.00 0.00 N ATOM 613 CA GLY A 42 -6.348 3.888 0.748 1.00 0.00 C ATOM 614 C GLY A 42 -7.400 3.106 1.510 1.00 0.00 C ATOM 615 O GLY A 42 -8.263 2.466 0.910 1.00 0.00 O ATOM 0 H GLY A 42 -5.082 5.464 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.688 4.047 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.432 3.299 0.691 1.00 0.00 H new ATOM 619 N ASP A 43 -7.328 3.157 2.836 1.00 0.00 N ATOM 620 CA ASP A 43 -8.281 2.448 3.681 1.00 0.00 C ATOM 621 C ASP A 43 -9.651 3.118 3.636 1.00 0.00 C ATOM 622 O ASP A 43 -10.650 2.490 3.283 1.00 0.00 O ATOM 623 CB ASP A 43 -7.774 2.392 5.123 1.00 0.00 C ATOM 624 CG ASP A 43 -8.668 1.559 6.020 1.00 0.00 C ATOM 625 OD1 ASP A 43 -8.569 0.316 5.966 1.00 0.00 O ATOM 626 OD2 ASP A 43 -9.468 2.151 6.775 1.00 0.00 O ATOM 0 H ASP A 43 -6.619 3.682 3.348 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.381 1.432 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.766 1.978 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.707 3.405 5.521 1.00 0.00 H new ATOM 631 N CYS A 44 -9.691 4.396 3.997 1.00 0.00 N ATOM 632 CA CYS A 44 -10.937 5.152 4.000 1.00 0.00 C ATOM 633 C CYS A 44 -11.739 4.884 2.729 1.00 0.00 C ATOM 634 O CYS A 44 -12.918 4.535 2.788 1.00 0.00 O ATOM 635 CB CYS A 44 -10.650 6.649 4.129 1.00 0.00 C ATOM 636 SG CYS A 44 -10.570 7.245 5.848 1.00 0.00 S ATOM 0 H CYS A 44 -8.874 4.930 4.292 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.528 4.827 4.857 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.704 6.871 3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.424 7.204 3.599 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.319 8.521 5.854 1.00 0.00 H new ATOM 641 N VAL A 45 -11.090 5.050 1.581 1.00 0.00 N ATOM 642 CA VAL A 45 -11.741 4.825 0.296 1.00 0.00 C ATOM 643 C VAL A 45 -11.828 3.337 -0.023 1.00 0.00 C ATOM 644 O VAL A 45 -12.695 2.903 -0.781 1.00 0.00 O ATOM 645 CB VAL A 45 -10.992 5.540 -0.845 1.00 0.00 C ATOM 646 CG1 VAL A 45 -10.973 7.043 -0.611 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.579 4.995 -0.978 1.00 0.00 C ATOM 0 H VAL A 45 -10.114 5.339 1.515 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.747 5.236 0.375 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.520 5.348 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.440 7.532 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.996 7.418 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.470 7.258 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.065 5.511 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.038 5.155 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.620 3.928 -1.196 1.00 0.00 H new ATOM 657 N GLY A 46 -10.923 2.558 0.562 1.00 0.00 N ATOM 658 CA GLY A 46 -10.915 1.125 0.328 1.00 0.00 C ATOM 659 C GLY A 46 -9.660 0.661 -0.384 1.00 0.00 C ATOM 660 O GLY A 46 -9.072 -0.357 -0.018 1.00 0.00 O ATOM 0 H GLY A 46 -10.196 2.893 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.002 0.604 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.788 0.852 -0.265 1.00 0.00 H new ATOM 664 N ILE A 47 -9.251 1.407 -1.404 1.00 0.00 N ATOM 665 CA ILE A 47 -8.058 1.065 -2.169 1.00 0.00 C ATOM 666 C ILE A 47 -6.938 0.582 -1.255 1.00 0.00 C ATOM 667 O ILE A 47 -6.562 1.266 -0.302 1.00 0.00 O ATOM 668 CB ILE A 47 -7.553 2.265 -2.992 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.632 2.729 -3.973 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.276 1.900 -3.733 1.00 0.00 C ATOM 671 CD1 ILE A 47 -8.873 1.759 -5.108 1.00 0.00 C ATOM 0 H ILE A 47 -9.728 2.252 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.340 0.261 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.331 3.086 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.565 2.880 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.344 3.696 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.932 2.759 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.508 1.614 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.472 1.065 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.650 2.152 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.952 1.627 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.191 0.798 -4.704 1.00 0.00 H new ATOM 683 N SER A 48 -6.406 -0.599 -1.552 1.00 0.00 N ATOM 684 CA SER A 48 -5.329 -1.175 -0.755 1.00 0.00 C ATOM 685 C SER A 48 -3.968 -0.716 -1.269 1.00 0.00 C ATOM 686 O SER A 48 -3.814 -0.394 -2.446 1.00 0.00 O ATOM 687 CB SER A 48 -5.408 -2.702 -0.780 1.00 0.00 C ATOM 688 OG SER A 48 -6.599 -3.162 -0.165 1.00 0.00 O ATOM 0 H SER A 48 -6.703 -1.176 -2.339 1.00 0.00 H new ATOM 0 HA SER A 48 -5.445 -0.829 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.368 -3.054 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.544 -3.122 -0.266 1.00 0.00 H new ATOM 0 HG SER A 48 -6.626 -4.141 -0.196 1.00 0.00 H new ATOM 694 N GLU A 49 -2.983 -0.690 -0.376 1.00 0.00 N ATOM 695 CA GLU A 49 -1.635 -0.269 -0.739 1.00 0.00 C ATOM 696 C GLU A 49 -1.254 -0.796 -2.120 1.00 0.00 C ATOM 697 O GLU A 49 -0.880 -0.029 -3.007 1.00 0.00 O ATOM 698 CB GLU A 49 -0.626 -0.760 0.302 1.00 0.00 C ATOM 699 CG GLU A 49 0.663 0.043 0.325 1.00 0.00 C ATOM 700 CD GLU A 49 1.690 -0.472 -0.665 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.763 -1.704 -0.857 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.420 0.357 -1.247 1.00 0.00 O ATOM 0 H GLU A 49 -3.093 -0.955 0.603 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.617 0.820 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.087 -0.720 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.390 -1.805 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.440 1.086 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.086 0.015 1.329 1.00 0.00 H new ATOM 709 N ALA A 50 -1.352 -2.110 -2.293 1.00 0.00 N ATOM 710 CA ALA A 50 -1.020 -2.740 -3.565 1.00 0.00 C ATOM 711 C ALA A 50 -1.984 -2.302 -4.663 1.00 0.00 C ATOM 712 O ALA A 50 -1.563 -1.902 -5.748 1.00 0.00 O ATOM 713 CB ALA A 50 -1.031 -4.255 -3.423 1.00 0.00 C ATOM 0 H ALA A 50 -1.659 -2.759 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.017 -2.420 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.781 -4.712 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.297 -4.556 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.022 -4.584 -3.111 1.00 0.00 H new ATOM 719 N ARG A 51 -3.279 -2.382 -4.373 1.00 0.00 N ATOM 720 CA ARG A 51 -4.302 -1.997 -5.337 1.00 0.00 C ATOM 721 C ARG A 51 -3.949 -0.670 -6.003 1.00 0.00 C ATOM 722 O ARG A 51 -3.786 -0.599 -7.220 1.00 0.00 O ATOM 723 CB ARG A 51 -5.665 -1.888 -4.649 1.00 0.00 C ATOM 724 CG ARG A 51 -6.841 -2.057 -5.598 1.00 0.00 C ATOM 725 CD ARG A 51 -7.300 -3.505 -5.663 1.00 0.00 C ATOM 726 NE ARG A 51 -8.634 -3.630 -6.243 1.00 0.00 N ATOM 727 CZ ARG A 51 -8.880 -3.557 -7.546 1.00 0.00 C ATOM 728 NH1 ARG A 51 -7.886 -3.361 -8.401 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.122 -3.681 -7.997 1.00 0.00 N ATOM 0 H ARG A 51 -3.644 -2.710 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.351 -2.768 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.729 -2.644 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.740 -0.916 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.668 -1.426 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.557 -1.719 -6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.591 -4.084 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.299 -3.931 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.421 -3.782 -5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.930 -3.266 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.077 -3.305 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.889 -3.833 -7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.309 -3.625 -8.998 1.00 0.00 H new ATOM 743 N GLY A 52 -3.834 0.380 -5.196 1.00 0.00 N ATOM 744 CA GLY A 52 -3.502 1.690 -5.725 1.00 0.00 C ATOM 745 C GLY A 52 -2.167 1.704 -6.441 1.00 0.00 C ATOM 746 O GLY A 52 -2.093 2.038 -7.624 1.00 0.00 O ATOM 0 H GLY A 52 -3.965 0.347 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.284 2.009 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.481 2.413 -4.910 1.00 0.00 H new ATOM 750 N ARG A 53 -1.108 1.343 -5.724 1.00 0.00 N ATOM 751 CA ARG A 53 0.232 1.318 -6.298 1.00 0.00 C ATOM 752 C ARG A 53 0.193 0.849 -7.749 1.00 0.00 C ATOM 753 O ARG A 53 0.825 1.445 -8.623 1.00 0.00 O ATOM 754 CB ARG A 53 1.144 0.403 -5.479 1.00 0.00 C ATOM 755 CG ARG A 53 1.770 1.085 -4.274 1.00 0.00 C ATOM 756 CD ARG A 53 3.089 1.751 -4.634 1.00 0.00 C ATOM 757 NE ARG A 53 3.349 2.930 -3.811 1.00 0.00 N ATOM 758 CZ ARG A 53 4.555 3.463 -3.653 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.606 2.926 -4.257 1.00 0.00 N ATOM 760 NH2 ARG A 53 4.712 4.536 -2.888 1.00 0.00 N ATOM 0 H ARG A 53 -1.152 1.064 -4.744 1.00 0.00 H new ATOM 0 HA ARG A 53 0.630 2.332 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.569 -0.459 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.937 0.024 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.081 1.831 -3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.935 0.352 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.902 1.036 -4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.075 2.039 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 53 2.562 3.367 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.490 2.101 -4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.531 3.338 -4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.906 4.952 -2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.639 4.945 -2.767 1.00 0.00 H new ATOM 774 N LEU A 54 -0.552 -0.221 -8.000 1.00 0.00 N ATOM 775 CA LEU A 54 -0.674 -0.771 -9.346 1.00 0.00 C ATOM 776 C LEU A 54 -1.389 0.208 -10.271 1.00 0.00 C ATOM 777 O LEU A 54 -0.867 0.579 -11.323 1.00 0.00 O ATOM 778 CB LEU A 54 -1.429 -2.101 -9.308 1.00 0.00 C ATOM 779 CG LEU A 54 -0.587 -3.343 -9.017 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.447 -4.440 -8.409 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.092 -3.837 -10.287 1.00 0.00 C ATOM 0 H LEU A 54 -1.081 -0.726 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 54 0.330 -0.942 -9.735 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.210 -2.031 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.927 -2.241 -10.268 1.00 0.00 H new ATOM 0 HG LEU A 54 0.186 -3.074 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.831 -5.316 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.886 -4.084 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.242 -4.707 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.687 -4.722 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.665 -4.089 -11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.741 -3.054 -10.681 1.00 0.00 H new ATOM 793 N LEU A 55 -2.586 0.624 -9.872 1.00 0.00 N ATOM 794 CA LEU A 55 -3.373 1.562 -10.665 1.00 0.00 C ATOM 795 C LEU A 55 -2.478 2.613 -11.312 1.00 0.00 C ATOM 796 O LEU A 55 -2.806 3.158 -12.366 1.00 0.00 O ATOM 797 CB LEU A 55 -4.426 2.242 -9.788 1.00 0.00 C ATOM 798 CG LEU A 55 -5.498 1.328 -9.194 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.253 2.042 -8.084 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.457 0.856 -10.277 1.00 0.00 C ATOM 0 H LEU A 55 -3.033 0.327 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.873 1.002 -11.455 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.915 2.749 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.921 3.012 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.007 0.454 -8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.012 1.376 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.556 2.328 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.733 2.934 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.213 0.207 -9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.942 1.718 -10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.904 0.305 -11.037 1.00 0.00 H new ATOM 812 N GLU A 56 -1.344 2.891 -10.675 1.00 0.00 N ATOM 813 CA GLU A 56 -0.401 3.876 -11.191 1.00 0.00 C ATOM 814 C GLU A 56 0.393 3.308 -12.364 1.00 0.00 C ATOM 815 O GLU A 56 0.214 3.725 -13.508 1.00 0.00 O ATOM 816 CB GLU A 56 0.555 4.327 -10.085 1.00 0.00 C ATOM 817 CG GLU A 56 0.066 5.543 -9.316 1.00 0.00 C ATOM 818 CD GLU A 56 0.644 5.619 -7.916 1.00 0.00 C ATOM 819 OE1 GLU A 56 0.302 4.750 -7.086 1.00 0.00 O ATOM 820 OE2 GLU A 56 1.436 6.546 -7.650 1.00 0.00 O ATOM 0 H GLU A 56 -1.057 2.448 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.970 4.736 -11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.705 3.503 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.526 4.553 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.332 6.446 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.022 5.516 -9.255 1.00 0.00 H new ATOM 827 N ARG A 57 1.269 2.353 -12.070 1.00 0.00 N ATOM 828 CA ARG A 57 2.092 1.728 -13.099 1.00 0.00 C ATOM 829 C ARG A 57 1.225 1.182 -14.230 1.00 0.00 C ATOM 830 O ARG A 57 1.513 1.401 -15.406 1.00 0.00 O ATOM 831 CB ARG A 57 2.931 0.600 -12.496 1.00 0.00 C ATOM 832 CG ARG A 57 2.106 -0.461 -11.787 1.00 0.00 C ATOM 833 CD ARG A 57 2.985 -1.406 -10.983 1.00 0.00 C ATOM 834 NE ARG A 57 3.416 -2.557 -11.772 1.00 0.00 N ATOM 835 CZ ARG A 57 4.471 -2.542 -12.578 1.00 0.00 C ATOM 836 NH1 ARG A 57 5.200 -1.442 -12.702 1.00 0.00 N ATOM 837 NH2 ARG A 57 4.800 -3.630 -13.263 1.00 0.00 N ATOM 0 H ARG A 57 1.427 1.995 -11.128 1.00 0.00 H new ATOM 0 HA ARG A 57 2.758 2.488 -13.508 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.512 0.127 -13.288 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.643 1.026 -11.790 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.386 0.019 -11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.535 -1.030 -12.521 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.860 -0.867 -10.621 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.438 -1.752 -10.106 1.00 0.00 H new ATOM 0 HE ARG A 57 2.877 -3.420 -11.700 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.951 -0.603 -12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.010 -1.434 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.242 -4.479 -13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.611 -3.617 -13.882 1.00 0.00 H new ATOM 851 N ASN A 58 0.164 0.471 -13.866 1.00 0.00 N ATOM 852 CA ASN A 58 -0.744 -0.107 -14.850 1.00 0.00 C ATOM 853 C ASN A 58 -1.280 0.967 -15.792 1.00 0.00 C ATOM 854 O ASN A 58 -1.247 0.810 -17.012 1.00 0.00 O ATOM 855 CB ASN A 58 -1.907 -0.813 -14.149 1.00 0.00 C ATOM 856 CG ASN A 58 -1.474 -2.091 -13.456 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.281 -2.367 -13.328 1.00 0.00 O ATOM 858 ND2 ASN A 58 -2.444 -2.878 -13.006 1.00 0.00 N ATOM 0 H ASN A 58 -0.089 0.281 -12.896 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.187 -0.836 -15.438 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.350 -0.138 -13.417 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.682 -1.044 -14.880 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.214 -3.751 -12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.420 -2.609 -13.134 1.00 0.00 H new ATOM 865 N GLY A 59 -1.775 2.059 -15.216 1.00 0.00 N ATOM 866 CA GLY A 59 -2.310 3.143 -16.018 1.00 0.00 C ATOM 867 C GLY A 59 -3.820 3.240 -15.928 1.00 0.00 C ATOM 868 O GLY A 59 -4.488 3.559 -16.911 1.00 0.00 O ATOM 0 H GLY A 59 -1.815 2.212 -14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.868 4.085 -15.692 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.020 2.999 -17.059 1.00 0.00 H new ATOM 872 N GLU A 60 -4.360 2.961 -14.745 1.00 0.00 N ATOM 873 CA GLU A 60 -5.801 3.016 -14.532 1.00 0.00 C ATOM 874 C GLU A 60 -6.188 4.268 -13.749 1.00 0.00 C ATOM 875 O GLU A 60 -5.385 4.811 -12.990 1.00 0.00 O ATOM 876 CB GLU A 60 -6.277 1.768 -13.787 1.00 0.00 C ATOM 877 CG GLU A 60 -6.340 0.525 -14.659 1.00 0.00 C ATOM 878 CD GLU A 60 -6.839 -0.692 -13.906 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.036 -0.722 -13.551 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.032 -1.616 -13.670 1.00 0.00 O ATOM 0 H GLU A 60 -3.821 2.695 -13.921 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.285 3.054 -15.508 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.608 1.579 -12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.266 1.959 -13.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.995 0.715 -15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.348 0.317 -15.061 1.00 0.00 H new ATOM 887 N ASP A 61 -7.423 4.719 -13.938 1.00 0.00 N ATOM 888 CA ASP A 61 -7.917 5.906 -13.250 1.00 0.00 C ATOM 889 C ASP A 61 -8.661 5.524 -11.974 1.00 0.00 C ATOM 890 O ASP A 61 -9.762 4.974 -12.027 1.00 0.00 O ATOM 891 CB ASP A 61 -8.837 6.709 -14.171 1.00 0.00 C ATOM 892 CG ASP A 61 -10.059 5.921 -14.599 1.00 0.00 C ATOM 893 OD1 ASP A 61 -11.057 5.917 -13.848 1.00 0.00 O ATOM 894 OD2 ASP A 61 -10.018 5.309 -15.687 1.00 0.00 O ATOM 0 H ASP A 61 -8.100 4.281 -14.562 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.060 6.522 -12.979 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.155 7.618 -13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.280 7.019 -15.055 1.00 0.00 H new ATOM 899 N TYR A 62 -8.053 5.817 -10.830 1.00 0.00 N ATOM 900 CA TYR A 62 -8.656 5.501 -9.541 1.00 0.00 C ATOM 901 C TYR A 62 -9.844 6.415 -9.256 1.00 0.00 C ATOM 902 O TYR A 62 -9.691 7.632 -9.144 1.00 0.00 O ATOM 903 CB TYR A 62 -7.619 5.630 -8.424 1.00 0.00 C ATOM 904 CG TYR A 62 -8.207 6.059 -7.099 1.00 0.00 C ATOM 905 CD1 TYR A 62 -8.970 5.182 -6.338 1.00 0.00 C ATOM 906 CD2 TYR A 62 -8.001 7.343 -6.609 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.509 5.571 -5.127 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.535 7.740 -5.398 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.289 6.850 -4.661 1.00 0.00 C ATOM 910 OH TYR A 62 -9.824 7.242 -3.456 1.00 0.00 O ATOM 0 H TYR A 62 -7.143 6.273 -10.769 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.014 4.472 -9.578 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.115 4.672 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.860 6.352 -8.726 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.145 4.179 -6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.413 8.043 -7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.100 4.877 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.363 8.741 -5.031 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.412 8.086 -3.174 1.00 0.00 H new ATOM 920 N ILE A 63 -11.026 5.820 -9.140 1.00 0.00 N ATOM 921 CA ILE A 63 -12.239 6.580 -8.866 1.00 0.00 C ATOM 922 C ILE A 63 -12.746 6.316 -7.452 1.00 0.00 C ATOM 923 O ILE A 63 -13.545 5.407 -7.227 1.00 0.00 O ATOM 924 CB ILE A 63 -13.356 6.239 -9.871 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.879 6.495 -11.303 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.606 7.051 -9.570 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.307 7.880 -11.510 1.00 0.00 C ATOM 0 H ILE A 63 -11.170 4.814 -9.231 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.980 7.634 -8.966 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.602 5.182 -9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.122 5.755 -11.563 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.715 6.350 -11.987 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.386 6.799 -10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.954 6.823 -8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.376 8.114 -9.643 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.989 7.991 -12.547 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.068 8.626 -11.282 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.451 8.022 -10.851 1.00 0.00 H new ATOM 939 N CYS A 64 -12.277 7.119 -6.503 1.00 0.00 N ATOM 940 CA CYS A 64 -12.683 6.975 -5.110 1.00 0.00 C ATOM 941 C CYS A 64 -14.169 6.647 -5.008 1.00 0.00 C ATOM 942 O CYS A 64 -14.958 6.936 -5.908 1.00 0.00 O ATOM 943 CB CYS A 64 -12.377 8.257 -4.333 1.00 0.00 C ATOM 944 SG CYS A 64 -13.756 9.446 -4.289 1.00 0.00 S ATOM 0 H CYS A 64 -11.615 7.876 -6.673 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.117 6.151 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.106 7.994 -3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.508 8.741 -4.779 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.979 9.897 -5.488 1.00 0.00 H new ATOM 949 N PRO A 65 -14.563 6.030 -3.884 1.00 0.00 N ATOM 950 CA PRO A 65 -15.957 5.650 -3.636 1.00 0.00 C ATOM 951 C PRO A 65 -16.855 6.860 -3.402 1.00 0.00 C ATOM 952 O PRO A 65 -17.890 7.011 -4.049 1.00 0.00 O ATOM 953 CB PRO A 65 -15.872 4.795 -2.369 1.00 0.00 C ATOM 954 CG PRO A 65 -14.637 5.262 -1.679 1.00 0.00 C ATOM 955 CD PRO A 65 -13.678 5.655 -2.768 1.00 0.00 C ATOM 0 HA PRO A 65 -16.395 5.131 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.752 4.930 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.813 3.734 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.851 6.107 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.217 4.473 -1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.042 6.486 -2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.018 4.831 -3.038 1.00 0.00 H new ATOM 963 N ASN A 66 -16.450 7.721 -2.473 1.00 0.00 N ATOM 964 CA ASN A 66 -17.219 8.918 -2.154 1.00 0.00 C ATOM 965 C ASN A 66 -17.753 9.576 -3.422 1.00 0.00 C ATOM 966 O ASN A 66 -18.774 10.264 -3.396 1.00 0.00 O ATOM 967 CB ASN A 66 -16.354 9.912 -1.376 1.00 0.00 C ATOM 968 CG ASN A 66 -15.483 9.232 -0.338 1.00 0.00 C ATOM 969 OD1 ASN A 66 -15.984 8.644 0.621 1.00 0.00 O ATOM 970 ND2 ASN A 66 -14.170 9.308 -0.525 1.00 0.00 N ATOM 0 H ASN A 66 -15.594 7.612 -1.929 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.066 8.621 -1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.722 10.462 -2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.997 10.642 -0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.534 8.869 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.798 9.806 -1.334 1.00 0.00 H new ATOM 977 N CYS A 67 -17.056 9.360 -4.533 1.00 0.00 N ATOM 978 CA CYS A 67 -17.459 9.930 -5.812 1.00 0.00 C ATOM 979 C CYS A 67 -18.617 9.143 -6.419 1.00 0.00 C ATOM 980 O CYS A 67 -19.731 9.652 -6.545 1.00 0.00 O ATOM 981 CB CYS A 67 -16.276 9.947 -6.782 1.00 0.00 C ATOM 982 SG CYS A 67 -15.289 11.477 -6.725 1.00 0.00 S ATOM 0 H CYS A 67 -16.209 8.794 -4.572 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.791 10.953 -5.636 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.627 9.100 -6.561 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.650 9.806 -7.796 1.00 0.00 H new ATOM 0 HG CYS A 67 -15.979 12.457 -7.228 1.00 0.00 H new ATOM 987 N THR A 68 -18.345 7.896 -6.794 1.00 0.00 N ATOM 988 CA THR A 68 -19.363 7.038 -7.388 1.00 0.00 C ATOM 989 C THR A 68 -20.571 6.901 -6.468 1.00 0.00 C ATOM 990 O THR A 68 -21.714 7.029 -6.907 1.00 0.00 O ATOM 991 CB THR A 68 -18.804 5.636 -7.696 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.631 5.744 -8.510 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.845 4.784 -8.408 1.00 0.00 C ATOM 0 H THR A 68 -17.429 7.459 -6.697 1.00 0.00 H new ATOM 0 HA THR A 68 -19.672 7.511 -8.320 1.00 0.00 H new ATOM 0 HB THR A 68 -18.547 5.155 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.281 4.849 -8.700 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.428 3.798 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.725 4.680 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.128 5.263 -9.345 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.310 6.640 -5.192 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.378 6.487 -4.211 1.00 0.00 C ATOM 1003 C ILE A 69 -22.496 7.495 -4.453 1.00 0.00 C ATOM 1004 O ILE A 69 -23.678 7.168 -4.335 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.850 6.658 -2.774 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -19.900 5.514 -2.416 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.008 6.721 -1.789 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.198 5.704 -1.090 1.00 0.00 C ATOM 0 H ILE A 69 -19.369 6.530 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.772 5.477 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.297 7.595 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.462 4.580 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.152 5.414 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.619 6.842 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.649 7.567 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.586 5.799 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.541 4.855 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.608 6.620 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.938 5.774 -0.293 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.116 8.721 -4.795 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.087 9.778 -5.057 1.00 0.00 C ATOM 1022 C LEU A 70 -23.729 9.600 -6.429 1.00 0.00 C ATOM 1023 O LEU A 70 -24.951 9.502 -6.545 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.413 11.149 -4.971 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.820 11.521 -3.612 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.825 12.662 -3.758 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.923 11.895 -2.632 1.00 0.00 C ATOM 0 H LEU A 70 -21.143 9.008 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.869 9.715 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.617 11.188 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.144 11.909 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.291 10.653 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.413 12.913 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -20.018 12.358 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.330 13.534 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.482 12.157 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.480 12.748 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.598 11.049 -2.503 1.00 0.00 H new