USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 72 THR OG1 : rot 180:sc= -0.0765 USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= 0 F(o=-1.1,f=-0.076) USER MOD Set 2.1: A 54 SER OG : rot -170:sc= -0.14 USER MOD Set 2.2: A 57 GLN :FLIP amide:sc= -1.15 F(o=-2.1!,f=-1.3) USER MOD Set 3.1: A 25 GLN : amide:sc= 0.686 K(o=0.055,f=-2.2) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.631 K(o=0.055,f=-2.2) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.39! C(o=-2.4!,f=-8.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.98! C(o=-4!,f=-7.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -129:sc= -0.797 (180deg=-3.14!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 21:sc= 1.03 USER MOD Single : A 48 CYS SG : rot -22:sc= -2.65! USER MOD Single : A 51 GLN : amide:sc= -3.43! C(o=-3.4!,f=-4.8!) USER MOD Single : A 55 MET CE :methyl 150:sc= -1.7 (180deg=-3.25!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 68 ASN :FLIP amide:sc= -2.39! C(o=-5.2!,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot -40:sc= 0.691 USER MOD Single : A 78 MET CE :methyl -171:sc= -1.45 (180deg=-1.58) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -2.874 12.750 8.097 1.00 0.00 N ATOM 243 CA HIS A 17 -2.793 11.372 7.672 1.00 0.00 C ATOM 244 C HIS A 17 -4.123 10.909 7.117 1.00 0.00 C ATOM 245 O HIS A 17 -5.180 11.413 7.501 1.00 0.00 O ATOM 246 CB HIS A 17 -2.362 10.464 8.853 1.00 0.00 C ATOM 247 CG HIS A 17 -3.493 10.005 9.738 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.074 10.797 10.703 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.163 8.824 9.775 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.047 10.126 11.292 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.121 8.928 10.748 1.00 0.00 N ATOM 0 HA HIS A 17 -2.043 11.300 6.885 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.853 9.587 8.453 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.637 11.003 9.463 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.975 7.962 9.152 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.677 10.497 12.087 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.783 8.198 11.009 1.00 0.00 H new ATOM 260 N ILE A 18 -4.080 9.965 6.212 1.00 0.00 N ATOM 261 CA ILE A 18 -5.276 9.386 5.660 1.00 0.00 C ATOM 262 C ILE A 18 -5.167 7.872 5.698 1.00 0.00 C ATOM 263 O ILE A 18 -4.072 7.319 5.840 1.00 0.00 O ATOM 264 CB ILE A 18 -5.533 9.850 4.208 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.317 9.571 3.330 1.00 0.00 C ATOM 266 CG2 ILE A 18 -5.895 11.330 4.170 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.561 9.823 1.861 1.00 0.00 C ATOM 0 H ILE A 18 -3.214 9.577 5.838 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.117 9.722 6.266 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.376 9.283 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.487 10.194 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.011 8.534 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.072 11.635 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.797 11.499 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.075 11.916 4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.653 9.604 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.369 9.181 1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.837 10.867 1.712 1.00 0.00 H new ATOM 279 N ASN A 19 -6.285 7.200 5.590 1.00 0.00 N ATOM 280 CA ASN A 19 -6.304 5.751 5.639 1.00 0.00 C ATOM 281 C ASN A 19 -6.443 5.189 4.239 1.00 0.00 C ATOM 282 O ASN A 19 -7.357 5.546 3.512 1.00 0.00 O ATOM 283 CB ASN A 19 -7.465 5.257 6.515 1.00 0.00 C ATOM 284 CG ASN A 19 -7.914 6.288 7.538 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.344 6.416 8.609 1.00 0.00 O ATOM 286 ND2 ASN A 19 -8.949 7.014 7.208 1.00 0.00 N ATOM 0 H ASN A 19 -7.201 7.631 5.467 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.366 5.406 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.309 4.994 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.161 4.347 7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.306 7.717 7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.400 6.878 6.303 1.00 0.00 H new ATOM 293 N LEU A 20 -5.536 4.331 3.852 1.00 0.00 N ATOM 294 CA LEU A 20 -5.575 3.713 2.541 1.00 0.00 C ATOM 295 C LEU A 20 -5.705 2.218 2.689 1.00 0.00 C ATOM 296 O LEU A 20 -4.911 1.576 3.376 1.00 0.00 O ATOM 297 CB LEU A 20 -4.312 4.032 1.719 1.00 0.00 C ATOM 298 CG LEU A 20 -4.084 5.496 1.320 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.368 6.136 0.813 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.489 6.290 2.468 1.00 0.00 C ATOM 0 H LEU A 20 -4.749 4.038 4.431 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.436 4.119 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.445 3.699 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.343 3.435 0.808 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.365 5.508 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.174 7.173 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.727 5.590 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.125 6.104 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.338 7.324 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.169 6.263 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.532 5.854 2.754 1.00 0.00 H new ATOM 312 N LYS A 21 -6.701 1.649 2.067 1.00 0.00 N ATOM 313 CA LYS A 21 -6.891 0.225 2.127 1.00 0.00 C ATOM 314 C LYS A 21 -6.437 -0.422 0.848 1.00 0.00 C ATOM 315 O LYS A 21 -6.670 0.092 -0.231 1.00 0.00 O ATOM 316 CB LYS A 21 -8.340 -0.116 2.414 1.00 0.00 C ATOM 317 CG LYS A 21 -8.669 -1.590 2.239 1.00 0.00 C ATOM 318 CD LYS A 21 -9.971 -1.932 2.905 1.00 0.00 C ATOM 319 CE LYS A 21 -11.111 -1.079 2.360 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.404 -1.393 3.006 1.00 0.00 N ATOM 0 H LYS A 21 -7.395 2.150 1.512 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.284 -0.165 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.578 0.181 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.979 0.470 1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.725 -1.831 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.869 -2.198 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.196 -2.987 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.883 -1.781 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.878 -0.025 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.197 -1.235 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.149 -0.789 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.641 -2.392 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.332 -1.219 4.029 1.00 0.00 H new ATOM 334 N VAL A 22 -5.806 -1.555 0.963 1.00 0.00 N ATOM 335 CA VAL A 22 -5.296 -2.247 -0.186 1.00 0.00 C ATOM 336 C VAL A 22 -6.083 -3.518 -0.408 1.00 0.00 C ATOM 337 O VAL A 22 -6.190 -4.362 0.482 1.00 0.00 O ATOM 338 CB VAL A 22 -3.800 -2.580 -0.032 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.268 -3.201 -1.302 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.005 -1.334 0.326 1.00 0.00 C ATOM 0 H VAL A 22 -5.631 -2.024 1.852 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.405 -1.589 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.689 -3.299 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.210 -3.431 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.816 -4.118 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.393 -2.502 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.951 -1.592 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.120 -0.590 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.373 -0.926 1.267 1.00 0.00 H new ATOM 350 N ALA A 23 -6.634 -3.657 -1.588 1.00 0.00 N ATOM 351 CA ALA A 23 -7.448 -4.799 -1.917 1.00 0.00 C ATOM 352 C ALA A 23 -6.879 -5.537 -3.090 1.00 0.00 C ATOM 353 O ALA A 23 -6.670 -4.976 -4.164 1.00 0.00 O ATOM 354 CB ALA A 23 -8.882 -4.382 -2.198 1.00 0.00 C ATOM 0 H ALA A 23 -6.531 -2.982 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.449 -5.468 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.475 -5.263 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.300 -3.898 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.901 -3.686 -3.037 1.00 0.00 H new ATOM 360 N GLY A 24 -6.621 -6.794 -2.898 1.00 0.00 N ATOM 361 CA GLY A 24 -6.077 -7.587 -3.961 1.00 0.00 C ATOM 362 C GLY A 24 -7.133 -8.426 -4.599 1.00 0.00 C ATOM 363 O GLY A 24 -7.990 -8.972 -3.910 1.00 0.00 O ATOM 0 H GLY A 24 -6.776 -7.292 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.624 -6.937 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.285 -8.227 -3.573 1.00 0.00 H new ATOM 367 N GLN A 25 -7.100 -8.541 -5.920 1.00 0.00 N ATOM 368 CA GLN A 25 -8.083 -9.354 -6.627 1.00 0.00 C ATOM 369 C GLN A 25 -7.981 -10.843 -6.261 1.00 0.00 C ATOM 370 O GLN A 25 -8.835 -11.642 -6.622 1.00 0.00 O ATOM 371 CB GLN A 25 -8.030 -9.143 -8.159 1.00 0.00 C ATOM 372 CG GLN A 25 -6.632 -9.069 -8.791 1.00 0.00 C ATOM 373 CD GLN A 25 -5.708 -10.192 -8.373 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.747 -11.278 -8.932 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.822 -9.909 -7.433 1.00 0.00 N ATOM 0 H GLN A 25 -6.411 -8.087 -6.520 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.060 -9.007 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.577 -9.957 -8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.561 -8.221 -8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.734 -9.081 -9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.174 -8.117 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.823 -8.990 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.137 -10.610 -7.150 1.00 0.00 H new ATOM 384 N ASP A 26 -6.933 -11.204 -5.530 1.00 0.00 N ATOM 385 CA ASP A 26 -6.747 -12.579 -5.074 1.00 0.00 C ATOM 386 C ASP A 26 -7.549 -12.806 -3.793 1.00 0.00 C ATOM 387 O ASP A 26 -7.710 -13.928 -3.324 1.00 0.00 O ATOM 388 CB ASP A 26 -5.257 -12.854 -4.821 1.00 0.00 C ATOM 389 CG ASP A 26 -4.955 -14.327 -4.592 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.685 -15.042 -5.580 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.977 -14.775 -3.428 1.00 0.00 O ATOM 0 H ASP A 26 -6.196 -10.562 -5.239 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.102 -13.264 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.678 -12.498 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.930 -12.282 -3.952 1.00 0.00 H new ATOM 396 N GLY A 27 -8.100 -11.725 -3.254 1.00 0.00 N ATOM 397 CA GLY A 27 -8.852 -11.809 -2.014 1.00 0.00 C ATOM 398 C GLY A 27 -8.090 -11.250 -0.833 1.00 0.00 C ATOM 399 O GLY A 27 -8.639 -11.089 0.258 1.00 0.00 O ATOM 0 H GLY A 27 -8.040 -10.789 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.791 -11.267 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.107 -12.850 -1.818 1.00 0.00 H new ATOM 403 N SER A 28 -6.824 -10.957 -1.034 1.00 0.00 N ATOM 404 CA SER A 28 -5.998 -10.391 0.009 1.00 0.00 C ATOM 405 C SER A 28 -6.290 -8.912 0.154 1.00 0.00 C ATOM 406 O SER A 28 -5.988 -8.125 -0.730 1.00 0.00 O ATOM 407 CB SER A 28 -4.529 -10.601 -0.321 1.00 0.00 C ATOM 408 OG SER A 28 -4.223 -11.983 -0.422 1.00 0.00 O ATOM 0 H SER A 28 -6.340 -11.103 -1.920 1.00 0.00 H new ATOM 0 HA SER A 28 -6.224 -10.891 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.289 -10.102 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.910 -10.143 0.451 1.00 0.00 H new ATOM 0 HG SER A 28 -3.273 -12.093 -0.637 1.00 0.00 H new ATOM 414 N VAL A 29 -6.899 -8.529 1.248 1.00 0.00 N ATOM 415 CA VAL A 29 -7.254 -7.142 1.459 1.00 0.00 C ATOM 416 C VAL A 29 -6.938 -6.723 2.903 1.00 0.00 C ATOM 417 O VAL A 29 -7.254 -7.441 3.849 1.00 0.00 O ATOM 418 CB VAL A 29 -8.760 -6.897 1.166 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.140 -5.436 1.350 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.161 -7.401 -0.222 1.00 0.00 C ATOM 0 H VAL A 29 -7.161 -9.156 2.009 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.663 -6.540 0.769 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.321 -7.478 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.201 -5.306 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.938 -5.134 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.554 -4.819 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.222 -7.210 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.577 -6.880 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.971 -8.472 -0.289 1.00 0.00 H new ATOM 430 N VAL A 30 -6.319 -5.549 3.066 1.00 0.00 N ATOM 431 CA VAL A 30 -5.923 -5.032 4.392 1.00 0.00 C ATOM 432 C VAL A 30 -5.983 -3.503 4.392 1.00 0.00 C ATOM 433 O VAL A 30 -5.827 -2.872 3.352 1.00 0.00 O ATOM 434 CB VAL A 30 -4.489 -5.482 4.832 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.235 -5.091 6.283 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.291 -6.979 4.648 1.00 0.00 C ATOM 0 H VAL A 30 -6.077 -4.930 2.292 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.629 -5.452 5.108 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.770 -4.970 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.235 -5.410 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.316 -4.009 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.972 -5.574 6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.285 -7.254 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.021 -7.519 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.425 -7.237 3.598 1.00 0.00 H new ATOM 446 N GLN A 31 -6.209 -2.905 5.553 1.00 0.00 N ATOM 447 CA GLN A 31 -6.326 -1.455 5.651 1.00 0.00 C ATOM 448 C GLN A 31 -5.103 -0.862 6.358 1.00 0.00 C ATOM 449 O GLN A 31 -4.569 -1.455 7.303 1.00 0.00 O ATOM 450 CB GLN A 31 -7.632 -1.075 6.370 1.00 0.00 C ATOM 451 CG GLN A 31 -7.930 0.421 6.376 1.00 0.00 C ATOM 452 CD GLN A 31 -7.305 1.170 7.551 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.940 2.325 7.427 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.210 0.523 8.699 1.00 0.00 N ATOM 0 H GLN A 31 -6.315 -3.399 6.439 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.361 -1.035 4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.461 -1.597 5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.583 -1.428 7.400 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.568 0.858 5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.010 0.567 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.526 -0.445 8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.821 0.991 9.518 1.00 0.00 H new ATOM 463 N PHE A 32 -4.653 0.305 5.896 1.00 0.00 N ATOM 464 CA PHE A 32 -3.453 0.956 6.448 1.00 0.00 C ATOM 465 C PHE A 32 -3.673 2.458 6.632 1.00 0.00 C ATOM 466 O PHE A 32 -4.503 3.060 5.966 1.00 0.00 O ATOM 467 CB PHE A 32 -2.246 0.742 5.515 1.00 0.00 C ATOM 468 CG PHE A 32 -2.013 -0.689 5.132 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.737 -1.261 4.101 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.080 -1.465 5.800 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.542 -2.567 3.744 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.880 -2.781 5.444 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.613 -3.334 4.413 1.00 0.00 C ATOM 0 H PHE A 32 -5.099 0.824 5.139 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.255 0.503 7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.392 1.330 4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.351 1.126 6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.467 -0.668 3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.505 -1.035 6.606 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.117 -2.997 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.151 -3.379 5.971 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.459 -4.365 4.131 1.00 0.00 H new ATOM 483 N LYS A 33 -2.919 3.056 7.532 1.00 0.00 N ATOM 484 CA LYS A 33 -3.002 4.489 7.790 1.00 0.00 C ATOM 485 C LYS A 33 -1.619 5.126 7.704 1.00 0.00 C ATOM 486 O LYS A 33 -0.710 4.757 8.444 1.00 0.00 O ATOM 487 CB LYS A 33 -3.599 4.742 9.175 1.00 0.00 C ATOM 488 CG LYS A 33 -5.109 4.565 9.248 1.00 0.00 C ATOM 489 CD LYS A 33 -5.616 4.650 10.685 1.00 0.00 C ATOM 490 CE LYS A 33 -4.996 3.576 11.570 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.447 3.691 12.977 1.00 0.00 N ATOM 0 H LYS A 33 -2.232 2.569 8.107 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.646 4.938 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.131 4.065 9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.348 5.756 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.595 5.331 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.384 3.601 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.386 5.634 11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.701 4.546 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.259 2.591 11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.910 3.655 11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.003 2.943 13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.174 4.621 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.481 3.590 13.019 1.00 0.00 H new ATOM 505 N ILE A 34 -1.453 6.078 6.796 1.00 0.00 N ATOM 506 CA ILE A 34 -0.175 6.771 6.625 1.00 0.00 C ATOM 507 C ILE A 34 -0.401 8.262 6.450 1.00 0.00 C ATOM 508 O ILE A 34 -1.538 8.716 6.287 1.00 0.00 O ATOM 509 CB ILE A 34 0.630 6.242 5.405 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.192 6.367 4.118 1.00 0.00 C ATOM 511 CG2 ILE A 34 1.074 4.800 5.625 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.581 6.024 2.866 1.00 0.00 C ATOM 0 H ILE A 34 -2.188 6.392 6.162 1.00 0.00 H new ATOM 0 HA ILE A 34 0.405 6.577 7.527 1.00 0.00 H new ATOM 0 HB ILE A 34 1.525 6.856 5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.061 5.713 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.567 7.387 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.635 4.455 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.707 4.745 6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.198 4.167 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.067 6.136 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.435 6.694 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.933 4.994 2.926 1.00 0.00 H new ATOM 524 N LYS A 35 0.670 9.034 6.481 1.00 0.00 N ATOM 525 CA LYS A 35 0.575 10.469 6.300 1.00 0.00 C ATOM 526 C LYS A 35 0.289 10.766 4.834 1.00 0.00 C ATOM 527 O LYS A 35 0.744 10.045 3.952 1.00 0.00 O ATOM 528 CB LYS A 35 1.876 11.144 6.752 1.00 0.00 C ATOM 529 CG LYS A 35 1.677 12.432 7.535 1.00 0.00 C ATOM 530 CD LYS A 35 1.854 13.678 6.675 1.00 0.00 C ATOM 531 CE LYS A 35 1.681 14.940 7.516 1.00 0.00 C ATOM 532 NZ LYS A 35 1.897 16.188 6.732 1.00 0.00 N ATOM 0 H LYS A 35 1.618 8.689 6.630 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.238 10.866 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.440 10.443 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.484 11.358 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.678 12.436 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.387 12.463 8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.843 13.673 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.126 13.673 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.678 14.953 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.382 14.914 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.767 17.014 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.863 16.193 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.212 16.230 5.951 1.00 0.00 H new ATOM 546 N ARG A 36 -0.455 11.831 4.561 1.00 0.00 N ATOM 547 CA ARG A 36 -0.837 12.164 3.182 1.00 0.00 C ATOM 548 C ARG A 36 0.388 12.510 2.322 1.00 0.00 C ATOM 549 O ARG A 36 0.316 12.544 1.098 1.00 0.00 O ATOM 550 CB ARG A 36 -1.851 13.323 3.149 1.00 0.00 C ATOM 551 CG ARG A 36 -2.409 13.597 1.753 1.00 0.00 C ATOM 552 CD ARG A 36 -3.148 14.922 1.678 1.00 0.00 C ATOM 553 NE ARG A 36 -4.447 14.893 2.357 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.187 15.985 2.587 1.00 0.00 C ATOM 555 NH1 ARG A 36 -4.753 17.180 2.193 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.369 15.880 3.187 1.00 0.00 N ATOM 0 H ARG A 36 -0.807 12.479 5.266 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.309 11.277 2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.676 13.095 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.372 14.227 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.592 13.598 1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.085 12.790 1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.530 15.702 2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.297 15.190 0.632 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.807 13.992 2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.856 17.265 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.318 18.011 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.716 14.965 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.929 16.715 3.360 1.00 0.00 H new ATOM 570 N HIS A 37 1.516 12.755 2.956 1.00 0.00 N ATOM 571 CA HIS A 37 2.723 13.088 2.222 1.00 0.00 C ATOM 572 C HIS A 37 3.723 11.934 2.321 1.00 0.00 C ATOM 573 O HIS A 37 4.828 11.996 1.791 1.00 0.00 O ATOM 574 CB HIS A 37 3.327 14.385 2.765 1.00 0.00 C ATOM 575 CG HIS A 37 4.182 15.128 1.778 1.00 0.00 C ATOM 576 ND1 HIS A 37 3.770 16.278 1.148 1.00 0.00 N ATOM 577 CD2 HIS A 37 5.441 14.901 1.346 1.00 0.00 C ATOM 578 CE1 HIS A 37 4.738 16.729 0.379 1.00 0.00 C ATOM 579 NE2 HIS A 37 5.771 15.914 0.481 1.00 0.00 N ATOM 0 H HIS A 37 1.624 12.731 3.970 1.00 0.00 H new ATOM 0 HA HIS A 37 2.477 13.242 1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.519 15.039 3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.927 14.153 3.645 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.073 14.073 1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.694 17.618 -0.233 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.664 16.019 -0.001 1.00 0.00 H new ATOM 588 N THR A 38 3.317 10.878 3.001 1.00 0.00 N ATOM 589 CA THR A 38 4.134 9.700 3.176 1.00 0.00 C ATOM 590 C THR A 38 3.975 8.769 1.972 1.00 0.00 C ATOM 591 O THR A 38 2.865 8.542 1.509 1.00 0.00 O ATOM 592 CB THR A 38 3.739 8.963 4.482 1.00 0.00 C ATOM 593 OG1 THR A 38 4.253 9.679 5.611 1.00 0.00 O ATOM 594 CG2 THR A 38 4.250 7.533 4.505 1.00 0.00 C ATOM 0 H THR A 38 2.403 10.817 3.450 1.00 0.00 H new ATOM 0 HA THR A 38 5.178 10.003 3.250 1.00 0.00 H new ATOM 0 HB THR A 38 2.651 8.925 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.001 9.213 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.951 7.055 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.829 6.983 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.337 7.534 4.431 1.00 0.00 H new ATOM 602 N PRO A 39 5.091 8.234 1.449 1.00 0.00 N ATOM 603 CA PRO A 39 5.068 7.350 0.284 1.00 0.00 C ATOM 604 C PRO A 39 4.267 6.077 0.539 1.00 0.00 C ATOM 605 O PRO A 39 4.283 5.513 1.644 1.00 0.00 O ATOM 606 CB PRO A 39 6.547 7.018 0.043 1.00 0.00 C ATOM 607 CG PRO A 39 7.227 7.322 1.333 1.00 0.00 C ATOM 608 CD PRO A 39 6.454 8.443 1.957 1.00 0.00 C ATOM 0 HA PRO A 39 4.586 7.823 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.676 5.972 -0.234 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.958 7.616 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.238 6.447 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.265 7.609 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.489 8.399 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.848 9.416 1.664 1.00 0.00 H new ATOM 616 N LEU A 40 3.572 5.616 -0.488 1.00 0.00 N ATOM 617 CA LEU A 40 2.739 4.427 -0.401 1.00 0.00 C ATOM 618 C LEU A 40 3.570 3.178 -0.147 1.00 0.00 C ATOM 619 O LEU A 40 3.038 2.141 0.247 1.00 0.00 O ATOM 620 CB LEU A 40 1.908 4.256 -1.669 1.00 0.00 C ATOM 621 CG LEU A 40 0.948 5.402 -2.006 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.051 5.021 -3.162 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.114 5.786 -0.794 1.00 0.00 C ATOM 0 H LEU A 40 3.569 6.057 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 40 2.067 4.562 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.589 4.120 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.328 3.338 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 40 1.544 6.267 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.624 5.847 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.661 4.802 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.532 4.139 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.559 6.601 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.470 4.926 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.772 6.107 0.014 1.00 0.00 H new ATOM 635 N SER A 41 4.879 3.278 -0.373 1.00 0.00 N ATOM 636 CA SER A 41 5.805 2.164 -0.193 1.00 0.00 C ATOM 637 C SER A 41 5.617 1.492 1.156 1.00 0.00 C ATOM 638 O SER A 41 5.703 0.266 1.268 1.00 0.00 O ATOM 639 CB SER A 41 7.242 2.667 -0.313 1.00 0.00 C ATOM 640 OG SER A 41 7.486 3.728 0.601 1.00 0.00 O ATOM 0 H SER A 41 5.328 4.138 -0.687 1.00 0.00 H new ATOM 0 HA SER A 41 5.598 1.428 -0.970 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.935 1.848 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.428 3.009 -1.331 1.00 0.00 H new ATOM 0 HG SER A 41 8.413 4.033 0.508 1.00 0.00 H new ATOM 646 N LYS A 42 5.353 2.295 2.182 1.00 0.00 N ATOM 647 CA LYS A 42 5.150 1.784 3.525 1.00 0.00 C ATOM 648 C LYS A 42 4.030 0.750 3.546 1.00 0.00 C ATOM 649 O LYS A 42 4.226 -0.381 3.988 1.00 0.00 O ATOM 650 CB LYS A 42 4.812 2.929 4.485 1.00 0.00 C ATOM 651 CG LYS A 42 5.842 4.065 4.534 1.00 0.00 C ATOM 652 CD LYS A 42 7.166 3.637 5.173 1.00 0.00 C ATOM 653 CE LYS A 42 8.161 3.101 4.147 1.00 0.00 C ATOM 654 NZ LYS A 42 9.471 2.782 4.765 1.00 0.00 N ATOM 0 H LYS A 42 5.275 3.309 2.103 1.00 0.00 H new ATOM 0 HA LYS A 42 6.075 1.306 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.846 3.347 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.699 2.519 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.031 4.422 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.427 4.902 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.607 4.487 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.973 2.870 5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.753 2.206 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.302 3.839 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.120 2.421 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.873 3.642 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.341 2.059 5.501 1.00 0.00 H new ATOM 668 N LEU A 43 2.861 1.119 3.031 1.00 0.00 N ATOM 669 CA LEU A 43 1.731 0.205 3.021 1.00 0.00 C ATOM 670 C LEU A 43 1.877 -0.860 1.957 1.00 0.00 C ATOM 671 O LEU A 43 1.417 -1.979 2.129 1.00 0.00 O ATOM 672 CB LEU A 43 0.376 0.948 2.904 1.00 0.00 C ATOM 673 CG LEU A 43 0.134 1.834 1.664 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.137 1.001 0.417 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.033 2.753 1.920 1.00 0.00 C ATOM 0 H LEU A 43 2.675 2.034 2.620 1.00 0.00 H new ATOM 0 HA LEU A 43 1.731 -0.301 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.417 0.201 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.263 1.575 3.788 1.00 0.00 H new ATOM 0 HG LEU A 43 1.039 2.416 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.302 1.662 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.720 0.358 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.023 0.386 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.203 3.378 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.925 2.160 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.816 3.386 2.780 1.00 0.00 H new ATOM 687 N MET A 44 2.518 -0.512 0.843 1.00 0.00 N ATOM 688 CA MET A 44 2.698 -1.451 -0.254 1.00 0.00 C ATOM 689 C MET A 44 3.457 -2.674 0.194 1.00 0.00 C ATOM 690 O MET A 44 2.984 -3.807 0.062 1.00 0.00 O ATOM 691 CB MET A 44 3.455 -0.802 -1.401 1.00 0.00 C ATOM 692 CG MET A 44 2.656 0.185 -2.217 1.00 0.00 C ATOM 693 SD MET A 44 3.578 0.767 -3.642 1.00 0.00 S ATOM 694 CE MET A 44 2.396 1.882 -4.379 1.00 0.00 C ATOM 0 H MET A 44 2.919 0.411 0.680 1.00 0.00 H new ATOM 0 HA MET A 44 1.704 -1.747 -0.590 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.329 -0.292 -0.997 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.821 -1.586 -2.064 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.729 -0.283 -2.549 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.378 1.034 -1.592 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.282 1.644 -5.437 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.434 1.776 -3.877 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.749 2.908 -4.274 1.00 0.00 H new ATOM 704 N LYS A 45 4.627 -2.453 0.750 1.00 0.00 N ATOM 705 CA LYS A 45 5.458 -3.536 1.190 1.00 0.00 C ATOM 706 C LYS A 45 4.876 -4.210 2.420 1.00 0.00 C ATOM 707 O LYS A 45 4.968 -5.419 2.575 1.00 0.00 O ATOM 708 CB LYS A 45 6.879 -3.057 1.415 1.00 0.00 C ATOM 709 CG LYS A 45 7.458 -2.414 0.166 1.00 0.00 C ATOM 710 CD LYS A 45 8.952 -2.239 0.242 1.00 0.00 C ATOM 711 CE LYS A 45 9.669 -3.577 0.264 1.00 0.00 C ATOM 712 NZ LYS A 45 11.137 -3.421 0.128 1.00 0.00 N ATOM 0 H LYS A 45 5.021 -1.525 0.906 1.00 0.00 H new ATOM 0 HA LYS A 45 5.489 -4.292 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.896 -2.339 2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.504 -3.898 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.212 -3.027 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.990 -1.442 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.295 -1.655 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.208 -1.673 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.444 -4.094 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.294 -4.203 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.589 -4.357 0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.354 -2.951 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.499 -2.845 0.915 1.00 0.00 H new ATOM 726 N ALA A 46 4.236 -3.432 3.282 1.00 0.00 N ATOM 727 CA ALA A 46 3.591 -3.988 4.464 1.00 0.00 C ATOM 728 C ALA A 46 2.480 -4.943 4.054 1.00 0.00 C ATOM 729 O ALA A 46 2.342 -6.037 4.608 1.00 0.00 O ATOM 730 CB ALA A 46 3.039 -2.886 5.340 1.00 0.00 C ATOM 0 H ALA A 46 4.150 -2.420 3.187 1.00 0.00 H new ATOM 0 HA ALA A 46 4.336 -4.539 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.562 -3.323 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.851 -2.232 5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.306 -2.307 4.778 1.00 0.00 H new ATOM 736 N TYR A 47 1.684 -4.529 3.070 1.00 0.00 N ATOM 737 CA TYR A 47 0.612 -5.353 2.543 1.00 0.00 C ATOM 738 C TYR A 47 1.150 -6.668 1.998 1.00 0.00 C ATOM 739 O TYR A 47 0.670 -7.737 2.369 1.00 0.00 O ATOM 740 CB TYR A 47 -0.174 -4.589 1.456 1.00 0.00 C ATOM 741 CG TYR A 47 -1.093 -5.455 0.615 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.385 -5.760 1.035 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.666 -5.964 -0.605 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.216 -6.546 0.263 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.487 -6.749 -1.380 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.757 -7.038 -0.948 1.00 0.00 C ATOM 747 OH TYR A 47 -3.574 -7.821 -1.726 1.00 0.00 O ATOM 0 H TYR A 47 1.768 -3.617 2.621 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.070 -5.585 3.361 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.768 -3.811 1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.536 -4.089 0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.742 -5.376 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.332 -5.738 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.216 -6.776 0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.134 -7.136 -2.324 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.509 -7.668 -1.475 1.00 0.00 H new ATOM 757 N CYS A 48 2.161 -6.607 1.140 1.00 0.00 N ATOM 758 CA CYS A 48 2.708 -7.819 0.549 1.00 0.00 C ATOM 759 C CYS A 48 3.313 -8.729 1.621 1.00 0.00 C ATOM 760 O CYS A 48 3.185 -9.946 1.558 1.00 0.00 O ATOM 761 CB CYS A 48 3.742 -7.496 -0.541 1.00 0.00 C ATOM 762 SG CYS A 48 5.315 -6.841 0.060 1.00 0.00 S ATOM 0 H CYS A 48 2.613 -5.743 0.842 1.00 0.00 H new ATOM 0 HA CYS A 48 1.884 -8.353 0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.939 -8.403 -1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.306 -6.773 -1.231 1.00 0.00 H new ATOM 0 HG CYS A 48 5.147 -6.324 1.241 1.00 0.00 H new ATOM 768 N GLU A 49 3.934 -8.137 2.628 1.00 0.00 N ATOM 769 CA GLU A 49 4.559 -8.902 3.693 1.00 0.00 C ATOM 770 C GLU A 49 3.528 -9.622 4.560 1.00 0.00 C ATOM 771 O GLU A 49 3.736 -10.765 4.963 1.00 0.00 O ATOM 772 CB GLU A 49 5.447 -8.007 4.553 1.00 0.00 C ATOM 773 CG GLU A 49 6.695 -7.528 3.836 1.00 0.00 C ATOM 774 CD GLU A 49 7.710 -6.922 4.773 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.177 -7.633 5.687 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.063 -5.738 4.596 1.00 0.00 O ATOM 0 H GLU A 49 4.019 -7.126 2.730 1.00 0.00 H new ATOM 0 HA GLU A 49 5.180 -9.663 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.870 -7.142 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.739 -8.552 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.150 -8.366 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.416 -6.791 3.083 1.00 0.00 H new ATOM 783 N ARG A 50 2.408 -8.970 4.837 1.00 0.00 N ATOM 784 CA ARG A 50 1.388 -9.564 5.682 1.00 0.00 C ATOM 785 C ARG A 50 0.475 -10.491 4.884 1.00 0.00 C ATOM 786 O ARG A 50 -0.159 -11.382 5.437 1.00 0.00 O ATOM 787 CB ARG A 50 0.562 -8.476 6.389 1.00 0.00 C ATOM 788 CG ARG A 50 -0.237 -7.585 5.451 1.00 0.00 C ATOM 789 CD ARG A 50 -1.098 -6.600 6.223 1.00 0.00 C ATOM 790 NE ARG A 50 -1.842 -7.260 7.301 1.00 0.00 N ATOM 791 CZ ARG A 50 -1.828 -6.877 8.584 1.00 0.00 C ATOM 792 NH1 ARG A 50 -1.114 -5.821 8.970 1.00 0.00 N ATOM 793 NH2 ARG A 50 -2.526 -7.560 9.476 1.00 0.00 N ATOM 0 H ARG A 50 2.185 -8.037 4.491 1.00 0.00 H new ATOM 0 HA ARG A 50 1.896 -10.162 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.124 -8.955 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.234 -7.852 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.443 -7.041 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.870 -8.201 4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.467 -5.816 6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.797 -6.116 5.541 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.412 -8.070 7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.571 -5.295 8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.111 -5.538 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.070 -8.372 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.520 -7.275 10.455 1.00 0.00 H new ATOM 807 N GLN A 51 0.389 -10.269 3.579 1.00 0.00 N ATOM 808 CA GLN A 51 -0.458 -11.092 2.720 1.00 0.00 C ATOM 809 C GLN A 51 0.318 -12.223 2.066 1.00 0.00 C ATOM 810 O GLN A 51 -0.259 -13.095 1.420 1.00 0.00 O ATOM 811 CB GLN A 51 -1.154 -10.232 1.666 1.00 0.00 C ATOM 812 CG GLN A 51 -2.116 -9.228 2.268 1.00 0.00 C ATOM 813 CD GLN A 51 -3.105 -9.880 3.211 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.195 -10.269 2.815 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.710 -10.024 4.463 1.00 0.00 N ATOM 0 H GLN A 51 0.893 -9.528 3.091 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.217 -11.548 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.402 -9.702 1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.696 -10.879 0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.553 -8.465 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.658 -8.722 1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.792 -9.685 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.323 -10.475 5.142 1.00 0.00 H new ATOM 824 N GLY A 52 1.627 -12.222 2.251 1.00 0.00 N ATOM 825 CA GLY A 52 2.461 -13.258 1.661 1.00 0.00 C ATOM 826 C GLY A 52 2.578 -13.095 0.160 1.00 0.00 C ATOM 827 O GLY A 52 2.504 -14.069 -0.594 1.00 0.00 O ATOM 0 H GLY A 52 2.132 -11.525 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.454 -13.225 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.041 -14.237 1.889 1.00 0.00 H new ATOM 831 N LEU A 53 2.761 -11.863 -0.271 1.00 0.00 N ATOM 832 CA LEU A 53 2.852 -11.529 -1.677 1.00 0.00 C ATOM 833 C LEU A 53 4.211 -10.935 -1.998 1.00 0.00 C ATOM 834 O LEU A 53 4.895 -10.404 -1.128 1.00 0.00 O ATOM 835 CB LEU A 53 1.750 -10.535 -2.058 1.00 0.00 C ATOM 836 CG LEU A 53 0.544 -11.110 -2.805 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.049 -12.283 -2.057 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.505 -10.033 -3.021 1.00 0.00 C ATOM 0 H LEU A 53 2.851 -11.059 0.351 1.00 0.00 H new ATOM 0 HA LEU A 53 2.724 -12.444 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.391 -10.057 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.193 -9.753 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 53 0.885 -11.467 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.904 -12.672 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.703 -13.066 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.373 -11.958 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.357 -10.456 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.835 -9.648 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.077 -9.221 -3.609 1.00 0.00 H new ATOM 850 N SER A 54 4.604 -11.033 -3.243 1.00 0.00 N ATOM 851 CA SER A 54 5.875 -10.498 -3.689 1.00 0.00 C ATOM 852 C SER A 54 5.687 -9.209 -4.482 1.00 0.00 C ATOM 853 O SER A 54 4.961 -9.183 -5.464 1.00 0.00 O ATOM 854 CB SER A 54 6.576 -11.535 -4.546 1.00 0.00 C ATOM 855 OG SER A 54 7.034 -12.623 -3.761 1.00 0.00 O ATOM 0 H SER A 54 4.057 -11.483 -3.977 1.00 0.00 H new ATOM 0 HA SER A 54 6.481 -10.264 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.893 -11.899 -5.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.419 -11.075 -5.062 1.00 0.00 H new ATOM 0 HG SER A 54 7.615 -13.196 -4.304 1.00 0.00 H new ATOM 861 N MET A 55 6.377 -8.141 -4.067 1.00 0.00 N ATOM 862 CA MET A 55 6.285 -6.824 -4.735 1.00 0.00 C ATOM 863 C MET A 55 6.693 -6.901 -6.202 1.00 0.00 C ATOM 864 O MET A 55 6.311 -6.066 -7.008 1.00 0.00 O ATOM 865 CB MET A 55 7.159 -5.789 -4.012 1.00 0.00 C ATOM 866 CG MET A 55 6.664 -5.437 -2.623 1.00 0.00 C ATOM 867 SD MET A 55 5.079 -4.575 -2.655 1.00 0.00 S ATOM 868 CE MET A 55 5.572 -2.976 -3.292 1.00 0.00 C ATOM 0 H MET A 55 7.011 -8.157 -3.268 1.00 0.00 H new ATOM 0 HA MET A 55 5.241 -6.514 -4.689 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.176 -6.173 -3.939 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.204 -4.881 -4.613 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.567 -6.348 -2.033 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.404 -4.812 -2.124 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.748 -2.539 -3.855 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.834 -2.319 -2.463 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.435 -3.096 -3.946 1.00 0.00 H new ATOM 878 N ARG A 56 7.471 -7.910 -6.546 1.00 0.00 N ATOM 879 CA ARG A 56 7.943 -8.081 -7.913 1.00 0.00 C ATOM 880 C ARG A 56 6.886 -8.799 -8.759 1.00 0.00 C ATOM 881 O ARG A 56 6.735 -8.543 -9.950 1.00 0.00 O ATOM 882 CB ARG A 56 9.266 -8.871 -7.943 1.00 0.00 C ATOM 883 CG ARG A 56 10.381 -8.292 -7.071 1.00 0.00 C ATOM 884 CD ARG A 56 10.330 -8.820 -5.636 1.00 0.00 C ATOM 885 NE ARG A 56 10.568 -10.270 -5.556 1.00 0.00 N ATOM 886 CZ ARG A 56 10.458 -10.993 -4.427 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.143 -10.402 -3.282 1.00 0.00 N ATOM 888 NH2 ARG A 56 10.681 -12.300 -4.445 1.00 0.00 N ATOM 0 H ARG A 56 7.792 -8.628 -5.897 1.00 0.00 H new ATOM 0 HA ARG A 56 8.121 -7.091 -8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.069 -9.894 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.619 -8.921 -8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.348 -8.536 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.302 -7.205 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.076 -8.300 -5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.356 -8.591 -5.203 1.00 0.00 H new ATOM 0 HE ARG A 56 10.833 -10.758 -6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.983 -9.395 -3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.061 -10.955 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.937 -12.762 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.596 -12.844 -3.586 1.00 0.00 H new ATOM 902 N GLN A 57 6.155 -9.705 -8.126 1.00 0.00 N ATOM 903 CA GLN A 57 5.123 -10.481 -8.807 1.00 0.00 C ATOM 904 C GLN A 57 3.765 -9.800 -8.743 1.00 0.00 C ATOM 905 O GLN A 57 2.823 -10.212 -9.409 1.00 0.00 O ATOM 906 CB GLN A 57 5.032 -11.892 -8.221 1.00 0.00 C ATOM 907 CG GLN A 57 6.163 -12.810 -8.638 1.00 0.00 C ATOM 908 CD GLN A 57 7.259 -12.867 -7.617 1.00 0.00 C ATOM 909 OE1 GLN A 57 8.187 -11.958 -7.707 1.00 0.00 O flip ATOM 910 NE2 GLN A 57 7.257 -13.716 -6.739 1.00 0.00 N flip ATOM 0 H GLN A 57 6.257 -9.923 -7.135 1.00 0.00 H new ATOM 0 HA GLN A 57 5.412 -10.549 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.018 -11.822 -7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.085 -12.339 -8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.771 -13.814 -8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.573 -12.468 -9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.511 -14.411 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.001 -13.730 -6.041 1.00 0.00 H new ATOM 919 N ILE A 58 3.647 -8.767 -7.936 1.00 0.00 N ATOM 920 CA ILE A 58 2.387 -8.052 -7.826 1.00 0.00 C ATOM 921 C ILE A 58 2.545 -6.609 -8.274 1.00 0.00 C ATOM 922 O ILE A 58 3.658 -6.143 -8.527 1.00 0.00 O ATOM 923 CB ILE A 58 1.816 -8.085 -6.386 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.633 -7.180 -5.452 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.809 -9.519 -5.867 1.00 0.00 C ATOM 926 CD1 ILE A 58 2.030 -7.018 -4.072 1.00 0.00 C ATOM 0 H ILE A 58 4.399 -8.404 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 58 1.681 -8.563 -8.481 1.00 0.00 H new ATOM 0 HB ILE A 58 0.793 -7.709 -6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.638 -7.590 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.734 -6.197 -5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.407 -9.537 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.188 -10.138 -6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.827 -9.908 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.664 -6.366 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.036 -6.579 -4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.955 -7.993 -3.591 1.00 0.00 H new ATOM 938 N ARG A 59 1.439 -5.901 -8.378 1.00 0.00 N ATOM 939 CA ARG A 59 1.467 -4.515 -8.786 1.00 0.00 C ATOM 940 C ARG A 59 0.286 -3.774 -8.193 1.00 0.00 C ATOM 941 O ARG A 59 -0.834 -4.293 -8.151 1.00 0.00 O ATOM 942 CB ARG A 59 1.453 -4.403 -10.315 1.00 0.00 C ATOM 943 CG ARG A 59 1.750 -3.008 -10.845 1.00 0.00 C ATOM 944 CD ARG A 59 3.157 -2.567 -10.476 1.00 0.00 C ATOM 945 NE ARG A 59 3.503 -1.279 -11.070 1.00 0.00 N ATOM 946 CZ ARG A 59 4.579 -0.562 -10.742 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.433 -1.021 -9.831 1.00 0.00 N ATOM 948 NH2 ARG A 59 4.808 0.608 -11.334 1.00 0.00 N ATOM 0 H ARG A 59 0.507 -6.266 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 59 2.388 -4.063 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.186 -5.098 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.476 -4.717 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.635 -2.996 -11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.026 -2.301 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.243 -2.500 -9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.871 -3.321 -10.806 1.00 0.00 H new ATOM 0 HE ARG A 59 2.880 -0.902 -11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.265 -1.922 -9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.256 -0.472 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.160 0.958 -12.040 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.631 1.155 -11.082 1.00 0.00 H new ATOM 962 N PHE A 60 0.539 -2.572 -7.720 1.00 0.00 N ATOM 963 CA PHE A 60 -0.490 -1.737 -7.138 1.00 0.00 C ATOM 964 C PHE A 60 -1.079 -0.815 -8.195 1.00 0.00 C ATOM 965 O PHE A 60 -0.359 -0.274 -9.039 1.00 0.00 O ATOM 966 CB PHE A 60 0.093 -0.911 -5.989 1.00 0.00 C ATOM 967 CG PHE A 60 0.178 -1.638 -4.675 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.846 -2.847 -4.567 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.413 -1.104 -3.544 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.919 -3.506 -3.354 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.344 -1.754 -2.337 1.00 0.00 C ATOM 972 CZ PHE A 60 0.320 -2.957 -2.237 1.00 0.00 C ATOM 0 H PHE A 60 1.466 -2.146 -7.728 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.282 -2.377 -6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.092 -0.577 -6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.516 -0.017 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.314 -3.279 -5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.936 -0.162 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.443 -4.447 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.811 -1.322 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.372 -3.469 -1.288 1.00 0.00 H new ATOM 982 N ARG A 61 -2.382 -0.640 -8.161 1.00 0.00 N ATOM 983 CA ARG A 61 -3.059 0.215 -9.113 1.00 0.00 C ATOM 984 C ARG A 61 -4.176 1.000 -8.434 1.00 0.00 C ATOM 985 O ARG A 61 -4.875 0.489 -7.562 1.00 0.00 O ATOM 986 CB ARG A 61 -3.618 -0.623 -10.266 1.00 0.00 C ATOM 987 CG ARG A 61 -4.372 0.179 -11.311 1.00 0.00 C ATOM 988 CD ARG A 61 -4.931 -0.716 -12.400 1.00 0.00 C ATOM 989 NE ARG A 61 -3.876 -1.406 -13.149 1.00 0.00 N ATOM 990 CZ ARG A 61 -4.103 -2.413 -13.999 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.345 -2.824 -14.229 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.088 -3.001 -14.619 1.00 0.00 N ATOM 0 H ARG A 61 -2.998 -1.082 -7.479 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.338 0.928 -9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.795 -1.147 -10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.284 -1.383 -9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.186 0.726 -10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.706 0.920 -11.753 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.599 -1.453 -11.954 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.530 -0.118 -13.087 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.912 -1.100 -13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.128 -2.371 -13.757 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.516 -3.592 -14.878 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.133 -2.685 -14.447 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.262 -3.769 -15.267 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.331 2.245 -8.824 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.355 3.107 -8.275 1.00 0.00 C ATOM 1008 C PHE A 62 -5.828 4.052 -9.359 1.00 0.00 C ATOM 1009 O PHE A 62 -5.013 4.634 -10.061 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.785 3.900 -7.090 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.783 4.777 -6.385 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.000 6.083 -6.801 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.494 4.302 -5.299 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -6.905 6.893 -6.148 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.398 5.108 -4.638 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.604 6.405 -5.063 1.00 0.00 C ATOM 0 H PHE A 62 -3.749 2.690 -9.533 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.195 2.510 -7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.364 3.199 -6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.964 4.521 -7.447 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.453 6.470 -7.648 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.340 3.287 -4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.066 7.906 -6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.944 4.724 -3.789 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.311 7.037 -4.547 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.148 4.185 -9.521 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.738 5.067 -10.545 1.00 0.00 C ATOM 1028 C ASP A 63 -7.464 4.519 -11.933 1.00 0.00 C ATOM 1029 O ASP A 63 -7.443 5.246 -12.922 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.177 6.490 -10.431 1.00 0.00 C ATOM 1031 CG ASP A 63 -8.016 7.516 -11.171 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.252 7.345 -11.240 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.445 8.502 -11.677 1.00 0.00 O ATOM 0 H ASP A 63 -7.837 3.691 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.815 5.103 -10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.116 6.768 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.161 6.507 -10.824 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.265 3.219 -12.012 1.00 0.00 N ATOM 1039 CA GLY A 64 -6.963 2.595 -13.280 1.00 0.00 C ATOM 1040 C GLY A 64 -5.493 2.697 -13.625 1.00 0.00 C ATOM 1041 O GLY A 64 -4.960 1.884 -14.378 1.00 0.00 O ATOM 0 H GLY A 64 -7.307 2.580 -11.218 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.256 1.546 -13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.554 3.066 -14.066 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.824 3.695 -13.073 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.410 3.878 -13.329 1.00 0.00 C ATOM 1047 C GLN A 65 -2.562 3.155 -12.287 1.00 0.00 C ATOM 1048 O GLN A 65 -2.837 3.219 -11.087 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.045 5.363 -13.388 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.483 6.152 -12.176 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.898 7.542 -12.129 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.642 8.167 -13.165 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.669 8.029 -10.932 1.00 0.00 N ATOM 0 H GLN A 65 -5.237 4.387 -12.448 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.194 3.439 -14.303 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.965 5.457 -13.499 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.496 5.803 -14.278 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.571 6.222 -12.170 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.193 5.612 -11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.896 7.477 -10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.264 8.959 -10.829 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.537 2.422 -12.737 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.632 1.718 -11.839 1.00 0.00 C ATOM 1064 C PRO A 66 0.216 2.691 -11.030 1.00 0.00 C ATOM 1065 O PRO A 66 0.647 3.734 -11.532 1.00 0.00 O ATOM 1066 CB PRO A 66 0.247 0.889 -12.781 1.00 0.00 C ATOM 1067 CG PRO A 66 0.169 1.585 -14.095 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.191 2.218 -14.155 1.00 0.00 C ATOM 0 HA PRO A 66 -1.164 1.111 -11.107 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.275 0.840 -12.421 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.113 -0.137 -12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.953 2.337 -14.184 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.308 0.882 -14.916 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.172 3.160 -14.703 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.913 1.573 -14.656 1.00 0.00 H new ATOM 1076 N ILE A 67 0.471 2.351 -9.786 1.00 0.00 N ATOM 1077 CA ILE A 67 1.234 3.216 -8.907 1.00 0.00 C ATOM 1078 C ILE A 67 2.527 2.544 -8.468 1.00 0.00 C ATOM 1079 O ILE A 67 2.684 1.325 -8.582 1.00 0.00 O ATOM 1080 CB ILE A 67 0.410 3.651 -7.672 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.214 2.431 -6.985 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.663 4.657 -8.079 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.079 2.768 -5.789 1.00 0.00 C ATOM 0 H ILE A 67 0.161 1.479 -9.357 1.00 0.00 H new ATOM 0 HA ILE A 67 1.482 4.112 -9.476 1.00 0.00 H new ATOM 0 HB ILE A 67 1.078 4.134 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.816 1.886 -7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.584 1.760 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.235 4.954 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.190 5.535 -8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.331 4.201 -8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.482 1.850 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.479 3.285 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.900 3.412 -6.104 1.00 0.00 H new ATOM 1095 N ASN A 68 3.452 3.337 -7.974 1.00 0.00 N ATOM 1096 CA ASN A 68 4.756 2.847 -7.556 1.00 0.00 C ATOM 1097 C ASN A 68 5.035 3.193 -6.121 1.00 0.00 C ATOM 1098 O ASN A 68 4.507 4.156 -5.598 1.00 0.00 O ATOM 1099 CB ASN A 68 5.877 3.416 -8.439 1.00 0.00 C ATOM 1100 CG ASN A 68 5.681 4.874 -8.857 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.058 5.671 -8.013 1.00 0.00 O flip ATOM 1102 ND2 ASN A 68 6.112 5.278 -9.936 1.00 0.00 N flip ATOM 0 H ASN A 68 3.326 4.341 -7.849 1.00 0.00 H new ATOM 0 HA ASN A 68 4.734 1.763 -7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.823 3.329 -7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.961 2.803 -9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.590 4.635 -10.567 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.991 6.256 -10.199 1.00 0.00 H new ATOM 1109 N GLU A 69 5.923 2.434 -5.491 1.00 0.00 N ATOM 1110 CA GLU A 69 6.280 2.647 -4.088 1.00 0.00 C ATOM 1111 C GLU A 69 6.818 4.067 -3.843 1.00 0.00 C ATOM 1112 O GLU A 69 6.904 4.525 -2.709 1.00 0.00 O ATOM 1113 CB GLU A 69 7.338 1.630 -3.649 1.00 0.00 C ATOM 1114 CG GLU A 69 8.705 1.881 -4.261 1.00 0.00 C ATOM 1115 CD GLU A 69 9.836 1.310 -3.430 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.300 2.003 -2.500 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.274 0.176 -3.706 1.00 0.00 O ATOM 0 H GLU A 69 6.415 1.657 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 69 5.370 2.517 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.425 1.653 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.004 0.629 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.737 1.443 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.853 2.954 -4.379 1.00 0.00 H new ATOM 1124 N THR A 70 7.162 4.767 -4.909 1.00 0.00 N ATOM 1125 CA THR A 70 7.750 6.070 -4.774 1.00 0.00 C ATOM 1126 C THR A 70 6.714 7.190 -4.957 1.00 0.00 C ATOM 1127 O THR A 70 7.068 8.370 -5.028 1.00 0.00 O ATOM 1128 CB THR A 70 8.934 6.260 -5.759 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.630 7.477 -5.469 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.450 6.284 -7.203 1.00 0.00 C ATOM 0 H THR A 70 7.041 4.449 -5.871 1.00 0.00 H new ATOM 0 HA THR A 70 8.135 6.137 -3.756 1.00 0.00 H new ATOM 0 HB THR A 70 9.610 5.414 -5.633 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.983 8.178 -5.243 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.302 6.418 -7.870 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.952 5.343 -7.436 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.750 7.108 -7.338 1.00 0.00 H new ATOM 1138 N ASP A 71 5.431 6.834 -5.027 1.00 0.00 N ATOM 1139 CA ASP A 71 4.386 7.846 -5.170 1.00 0.00 C ATOM 1140 C ASP A 71 3.803 8.202 -3.809 1.00 0.00 C ATOM 1141 O ASP A 71 3.951 7.451 -2.833 1.00 0.00 O ATOM 1142 CB ASP A 71 3.270 7.394 -6.144 1.00 0.00 C ATOM 1143 CG ASP A 71 2.123 6.664 -5.488 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.185 7.336 -5.024 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.147 5.422 -5.476 1.00 0.00 O ATOM 0 H ASP A 71 5.095 5.872 -4.988 1.00 0.00 H new ATOM 0 HA ASP A 71 4.847 8.735 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.878 8.271 -6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.709 6.747 -6.904 1.00 0.00 H new ATOM 1150 N THR A 72 3.177 9.359 -3.733 1.00 0.00 N ATOM 1151 CA THR A 72 2.578 9.819 -2.504 1.00 0.00 C ATOM 1152 C THR A 72 1.085 10.062 -2.695 1.00 0.00 C ATOM 1153 O THR A 72 0.660 10.536 -3.755 1.00 0.00 O ATOM 1154 CB THR A 72 3.250 11.121 -2.014 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.233 12.107 -3.060 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.686 10.864 -1.596 1.00 0.00 C ATOM 0 H THR A 72 3.071 10.001 -4.518 1.00 0.00 H new ATOM 0 HA THR A 72 2.725 9.042 -1.754 1.00 0.00 H new ATOM 0 HB THR A 72 2.691 11.486 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.659 12.930 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.138 11.795 -1.255 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.704 10.134 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.249 10.478 -2.446 1.00 0.00 H new ATOM 1164 N PRO A 73 0.269 9.768 -1.662 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.190 9.929 -1.723 1.00 0.00 C ATOM 1166 C PRO A 73 -1.611 11.360 -2.060 1.00 0.00 C ATOM 1167 O PRO A 73 -2.693 11.591 -2.594 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.663 9.552 -0.311 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.440 9.600 0.538 1.00 0.00 C ATOM 1170 CD PRO A 73 0.701 9.245 -0.362 1.00 0.00 C ATOM 0 HA PRO A 73 -1.625 9.312 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.420 10.249 0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.112 8.559 -0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.303 10.592 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.514 8.899 1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.633 9.703 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.869 8.169 -0.395 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.756 12.318 -1.760 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.049 13.717 -2.040 1.00 0.00 C ATOM 1180 C ALA A 74 -0.890 14.023 -3.520 1.00 0.00 C ATOM 1181 O ALA A 74 -1.532 14.924 -4.057 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.146 14.626 -1.224 1.00 0.00 C ATOM 0 H ALA A 74 0.150 12.156 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.086 13.902 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.380 15.667 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.304 14.438 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.895 14.426 -1.477 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.043 13.254 -4.183 1.00 0.00 N ATOM 1189 CA GLN A 75 0.253 13.465 -5.586 1.00 0.00 C ATOM 1190 C GLN A 75 -0.941 13.072 -6.450 1.00 0.00 C ATOM 1191 O GLN A 75 -1.449 13.868 -7.235 1.00 0.00 O ATOM 1192 CB GLN A 75 1.466 12.629 -5.976 1.00 0.00 C ATOM 1193 CG GLN A 75 2.034 12.951 -7.344 1.00 0.00 C ATOM 1194 CD GLN A 75 3.251 12.108 -7.684 1.00 0.00 C ATOM 1195 OE1 GLN A 75 4.034 11.750 -6.678 1.00 0.00 O flip ATOM 1196 NE2 GLN A 75 3.489 11.788 -8.843 1.00 0.00 N flip ATOM 0 H GLN A 75 0.456 12.469 -3.764 1.00 0.00 H new ATOM 0 HA GLN A 75 0.465 14.522 -5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.247 12.773 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.189 11.575 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.264 12.793 -8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.305 14.006 -7.382 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.863 12.082 -9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.313 11.227 -9.058 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.389 11.837 -6.292 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.510 11.336 -7.082 1.00 0.00 C ATOM 1207 C LEU A 76 -3.864 11.701 -6.457 1.00 0.00 C ATOM 1208 O LEU A 76 -4.921 11.326 -6.976 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.404 9.815 -7.324 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.775 8.882 -6.157 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.703 7.438 -6.604 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.864 9.098 -4.966 1.00 0.00 C ATOM 0 H LEU A 76 -1.000 11.165 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.454 11.831 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.042 9.564 -8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.379 9.592 -7.620 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.794 9.117 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.967 6.786 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.400 7.277 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.690 7.210 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.153 8.424 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.833 8.896 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.950 10.130 -4.625 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.824 12.448 -5.348 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.030 12.881 -4.632 1.00 0.00 C ATOM 1226 C GLU A 77 -5.840 11.702 -4.113 1.00 0.00 C ATOM 1227 O GLU A 77 -6.969 11.445 -4.546 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.890 13.820 -5.476 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.218 15.144 -5.771 1.00 0.00 C ATOM 1230 CD GLU A 77 -6.143 16.125 -6.429 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -6.889 16.820 -5.707 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -6.132 16.216 -7.676 1.00 0.00 O ATOM 0 H GLU A 77 -2.955 12.770 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.690 13.446 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.137 13.328 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.830 14.005 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.842 15.572 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.356 14.974 -6.416 1.00 0.00 H new ATOM 1239 N MET A 78 -5.239 10.970 -3.211 1.00 0.00 N ATOM 1240 CA MET A 78 -5.863 9.822 -2.596 1.00 0.00 C ATOM 1241 C MET A 78 -6.757 10.263 -1.456 1.00 0.00 C ATOM 1242 O MET A 78 -6.346 11.045 -0.596 1.00 0.00 O ATOM 1243 CB MET A 78 -4.792 8.885 -2.066 1.00 0.00 C ATOM 1244 CG MET A 78 -4.860 7.487 -2.629 1.00 0.00 C ATOM 1245 SD MET A 78 -3.365 6.555 -2.283 1.00 0.00 S ATOM 1246 CE MET A 78 -3.587 5.168 -3.374 1.00 0.00 C ATOM 0 H MET A 78 -4.293 11.154 -2.878 1.00 0.00 H new ATOM 0 HA MET A 78 -6.466 9.304 -3.342 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.812 9.307 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.876 8.832 -0.981 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.719 6.966 -2.206 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.016 7.536 -3.707 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.826 4.416 -3.166 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.576 4.737 -3.218 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.495 5.500 -4.408 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.983 9.804 -1.464 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.911 10.106 -0.399 1.00 0.00 C ATOM 1258 C GLU A 79 -8.724 9.133 0.750 1.00 0.00 C ATOM 1259 O GLU A 79 -8.247 8.015 0.559 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.344 10.014 -0.913 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.702 11.067 -1.943 1.00 0.00 C ATOM 1262 CD GLU A 79 -10.595 12.465 -1.391 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -11.443 12.846 -0.558 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -9.674 13.194 -1.785 1.00 0.00 O ATOM 0 H GLU A 79 -8.366 9.214 -2.203 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.718 11.119 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.499 9.027 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.028 10.100 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.043 10.968 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.718 10.895 -2.297 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.082 9.548 1.949 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.008 8.660 3.092 1.00 0.00 C ATOM 1273 C ASP A 80 -10.104 7.628 3.017 1.00 0.00 C ATOM 1274 O ASP A 80 -11.187 7.890 2.492 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.076 9.418 4.427 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.168 10.461 4.475 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -9.940 11.585 3.971 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.247 10.180 5.029 1.00 0.00 O ATOM 0 H ASP A 80 -9.424 10.486 2.156 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.038 8.163 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.233 8.702 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.116 9.900 4.611 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.807 6.440 3.521 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.726 5.310 3.522 1.00 0.00 C ATOM 1285 C GLU A 81 -10.959 4.783 2.104 1.00 0.00 C ATOM 1286 O GLU A 81 -11.886 4.007 1.861 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.050 5.675 4.214 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.856 6.262 5.607 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.157 6.470 6.348 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.730 5.481 6.840 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.609 7.628 6.451 1.00 0.00 O ATOM 0 H GLU A 81 -8.905 6.230 3.948 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.266 4.505 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.590 6.392 3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.673 4.784 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.215 5.599 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.335 7.216 5.524 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.112 5.201 1.159 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.213 4.735 -0.223 1.00 0.00 C ATOM 1300 C ASP A 82 -9.520 3.379 -0.361 1.00 0.00 C ATOM 1301 O ASP A 82 -8.863 2.908 0.577 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.589 5.746 -1.184 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.306 5.807 -2.519 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.415 4.758 -3.200 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.778 6.904 -2.888 1.00 0.00 O ATOM 0 H ASP A 82 -9.351 5.859 1.327 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.267 4.629 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.602 6.734 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.544 5.486 -1.350 1.00 0.00 H new ATOM 1310 N THR A 83 -9.654 2.747 -1.511 1.00 0.00 N ATOM 1311 CA THR A 83 -9.091 1.426 -1.709 1.00 0.00 C ATOM 1312 C THR A 83 -8.180 1.347 -2.952 1.00 0.00 C ATOM 1313 O THR A 83 -8.457 1.943 -3.993 1.00 0.00 O ATOM 1314 CB THR A 83 -10.219 0.381 -1.821 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.126 0.546 -0.722 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.665 -1.031 -1.796 1.00 0.00 C ATOM 0 H THR A 83 -10.146 3.126 -2.320 1.00 0.00 H new ATOM 0 HA THR A 83 -8.470 1.212 -0.839 1.00 0.00 H new ATOM 0 HB THR A 83 -10.734 0.534 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.846 -0.115 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.485 -1.745 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.981 -1.168 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.131 -1.196 -0.860 1.00 0.00 H new ATOM 1324 N ILE A 84 -7.094 0.594 -2.818 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.142 0.370 -3.896 1.00 0.00 C ATOM 1326 C ILE A 84 -6.365 -1.019 -4.477 1.00 0.00 C ATOM 1327 O ILE A 84 -6.600 -1.972 -3.738 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.660 0.478 -3.411 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.323 1.897 -2.947 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.696 0.050 -4.507 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.782 2.225 -1.545 1.00 0.00 C ATOM 0 H ILE A 84 -6.849 0.118 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.307 1.143 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.550 -0.196 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.244 2.037 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.774 2.608 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.672 0.134 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.898 -0.984 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.827 0.693 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.501 3.249 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.865 2.121 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.311 1.541 -0.839 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.286 -1.141 -5.787 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.496 -2.419 -6.451 1.00 0.00 C ATOM 1345 C ASP A 85 -5.167 -3.093 -6.752 1.00 0.00 C ATOM 1346 O ASP A 85 -4.307 -2.532 -7.427 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.293 -2.232 -7.745 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.704 -1.749 -7.499 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.576 -2.584 -7.202 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.956 -0.525 -7.622 1.00 0.00 O ATOM 0 H ASP A 85 -6.077 -0.368 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.067 -3.058 -5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.776 -1.517 -8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.327 -3.178 -8.286 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.983 -4.289 -6.233 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.755 -5.036 -6.447 1.00 0.00 C ATOM 1357 C VAL A 86 -3.969 -6.224 -7.382 1.00 0.00 C ATOM 1358 O VAL A 86 -4.945 -6.975 -7.253 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.156 -5.517 -5.103 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.082 -6.569 -5.320 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.590 -4.342 -4.343 1.00 0.00 C ATOM 0 H VAL A 86 -5.672 -4.770 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.048 -4.357 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.956 -5.973 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.682 -6.885 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.513 -7.428 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.279 -6.149 -5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.170 -4.688 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.808 -3.868 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.383 -3.621 -4.145 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.022 -6.419 -8.296 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.088 -7.486 -9.287 1.00 0.00 C ATOM 1373 C PHE A 87 -1.759 -8.232 -9.310 1.00 0.00 C ATOM 1374 O PHE A 87 -0.733 -7.696 -8.877 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.374 -6.905 -10.684 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.611 -6.053 -10.755 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.560 -4.709 -10.422 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.824 -6.595 -11.147 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.687 -3.925 -10.477 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.960 -5.812 -11.206 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.893 -4.474 -10.870 1.00 0.00 C ATOM 0 H PHE A 87 -2.186 -5.839 -8.369 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.894 -8.169 -9.020 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.517 -6.310 -11.000 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.471 -7.726 -11.394 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.621 -4.272 -10.115 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.882 -7.641 -11.409 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.630 -2.879 -10.213 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.900 -6.245 -11.515 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.780 -3.859 -10.914 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.758 -9.464 -9.793 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.528 -10.238 -9.880 1.00 0.00 C ATOM 1393 C GLN A 88 0.011 -10.240 -11.307 1.00 0.00 C ATOM 1394 O GLN A 88 -0.583 -10.821 -12.209 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.748 -11.681 -9.408 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.620 -11.898 -7.903 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.688 -11.190 -7.084 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.770 -11.725 -6.856 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.385 -9.994 -6.620 1.00 0.00 N ATOM 0 H GLN A 88 -2.590 -9.949 -10.130 1.00 0.00 H new ATOM 0 HA GLN A 88 0.204 -9.765 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.741 -12.002 -9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.030 -12.326 -9.914 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.666 -12.967 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.361 -11.552 -7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.476 -9.581 -6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.059 -9.482 -6.051 1.00 0.00 H new