USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 490 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 18 CYS SG : rot 140:sc= -0.758 USER MOD Set 1.2: A 21 CYS SG : rot -55:sc= -0.816 USER MOD Set 1.3: A 29 CYS SG : rot -126:sc= 0.474 USER MOD Set 1.4: A 32 CYS SG : rot 85:sc= -0.119 USER MOD Set 1.5: A 41 CYS SG : rot 117:sc= 0.177 USER MOD Set 1.6: A 53 HIS : +bothHN:sc= -0.717 K(o=-2,f=-12!) USER MOD Set 1.7: A 55 CYS SG : rot -118:sc= 0.679 USER MOD Set 1.8: A 56 CYS SG : rot 40:sc= -0.881 USER MOD Set 2.1: A 48 CYS SG : rot 166:sc= -0.845 USER MOD Set 2.2: A 50 HIS : no HE2:sc= -0.887 X(o=-3.3,f=-3.8) USER MOD Set 2.3: A 67 CYS SG : rot 37:sc= 0.00152 USER MOD Set 2.4: A 70 CYS SG : rot -48:sc= -1.59 USER MOD Set 3.1: A 36 ASN : amide:sc= -1.44 K(o=-4.7,f=-5.6!) USER MOD Set 3.2: A 38 GLN : amide:sc= -3.27! C(o=-4.7!,f=-12!) USER MOD Set 4.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 24 GLN : amide:sc=-0.00864 X(o=-0.0086,f=0.12) USER MOD Single : A 26 MET CE :methyl -150:sc= -0.427 (180deg=-1.29!) USER MOD Single : A 33 GLN : amide:sc= 0.386 K(o=0.39,f=-0.27) USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= -0.384 (180deg=-3.86!) USER MOD Single : A 49 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.43) USER MOD Single : A 51 SER OG : rot -170:sc= -2! USER MOD Single : A 54 ASN :FLIP amide:sc= -0.384 F(o=-2.5,f=-0.38) USER MOD Single : A 57 MET CE :methyl -146:sc= -0.115 (180deg=-1.56) USER MOD Single : A 58 SER OG : rot 66:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.9) USER MOD Single : A 65 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.11) USER MOD Single : A 71 GLN : amide:sc= -6! C(o=-6!,f=-8.1!) USER MOD Single : A 72 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.1!) USER MOD Single : A 77 GLN : amide:sc=-0.00514 X(o=-0.0051,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 208 N THR A 17 8.120 -6.593 0.082 1.00 0.00 N ATOM 209 CA THR A 17 6.977 -5.930 0.697 1.00 0.00 C ATOM 210 C THR A 17 7.274 -4.460 0.969 1.00 0.00 C ATOM 211 O THR A 17 8.138 -4.131 1.783 1.00 0.00 O ATOM 212 CB THR A 17 6.574 -6.613 2.017 1.00 0.00 C ATOM 213 OG1 THR A 17 6.000 -7.897 1.749 1.00 0.00 O ATOM 214 CG2 THR A 17 5.578 -5.758 2.786 1.00 0.00 C ATOM 0 HA THR A 17 6.151 -6.006 -0.010 1.00 0.00 H new ATOM 0 HB THR A 17 7.470 -6.736 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.748 -8.325 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.308 -6.261 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.028 -4.792 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.684 -5.608 2.181 1.00 0.00 H new ATOM 222 N CYS A 18 6.554 -3.578 0.283 1.00 0.00 N ATOM 223 CA CYS A 18 6.741 -2.142 0.450 1.00 0.00 C ATOM 224 C CYS A 18 6.904 -1.783 1.924 1.00 0.00 C ATOM 225 O CYS A 18 5.965 -1.902 2.711 1.00 0.00 O ATOM 226 CB CYS A 18 5.554 -1.380 -0.143 1.00 0.00 C ATOM 227 SG CYS A 18 5.600 0.417 0.155 1.00 0.00 S ATOM 0 H CYS A 18 5.835 -3.833 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 18 7.650 -1.855 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.522 -1.559 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.632 -1.783 0.275 1.00 0.00 H new ATOM 0 HG CYS A 18 5.204 1.044 -0.913 1.00 0.00 H new ATOM 232 N ALA A 19 8.104 -1.343 2.291 1.00 0.00 N ATOM 233 CA ALA A 19 8.391 -0.965 3.669 1.00 0.00 C ATOM 234 C ALA A 19 7.686 0.336 4.039 1.00 0.00 C ATOM 235 O ALA A 19 7.263 0.520 5.180 1.00 0.00 O ATOM 236 CB ALA A 19 9.892 -0.832 3.878 1.00 0.00 C ATOM 0 H ALA A 19 8.893 -1.240 1.653 1.00 0.00 H new ATOM 0 HA ALA A 19 8.013 -1.751 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.092 -0.549 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.375 -1.785 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.286 -0.066 3.210 1.00 0.00 H new ATOM 242 N ILE A 20 7.564 1.234 3.068 1.00 0.00 N ATOM 243 CA ILE A 20 6.910 2.518 3.292 1.00 0.00 C ATOM 244 C ILE A 20 5.587 2.339 4.028 1.00 0.00 C ATOM 245 O ILE A 20 5.312 3.028 5.010 1.00 0.00 O ATOM 246 CB ILE A 20 6.652 3.257 1.966 1.00 0.00 C ATOM 247 CG1 ILE A 20 7.961 3.437 1.194 1.00 0.00 C ATOM 248 CG2 ILE A 20 5.997 4.605 2.231 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.775 3.482 -0.306 1.00 0.00 C ATOM 0 H ILE A 20 7.909 1.097 2.118 1.00 0.00 H new ATOM 0 HA ILE A 20 7.586 3.115 3.905 1.00 0.00 H new ATOM 0 HB ILE A 20 5.974 2.658 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.442 4.359 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.637 2.619 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.821 5.116 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.047 4.453 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.653 5.212 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.744 3.611 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.322 2.550 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.125 4.317 -0.567 1.00 0.00 H new ATOM 261 N CYS A 21 4.770 1.407 3.547 1.00 0.00 N ATOM 262 CA CYS A 21 3.475 1.135 4.159 1.00 0.00 C ATOM 263 C CYS A 21 3.437 -0.272 4.748 1.00 0.00 C ATOM 264 O CYS A 21 2.508 -0.627 5.474 1.00 0.00 O ATOM 265 CB CYS A 21 2.356 1.299 3.129 1.00 0.00 C ATOM 266 SG CYS A 21 2.404 0.079 1.778 1.00 0.00 S ATOM 0 H CYS A 21 4.982 0.828 2.735 1.00 0.00 H new ATOM 0 HA CYS A 21 3.325 1.852 4.966 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.395 1.224 3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.414 2.300 2.702 1.00 0.00 H new ATOM 0 HG CYS A 21 3.567 0.119 1.198 1.00 0.00 H new ATOM 271 N ARG A 22 4.452 -1.069 4.429 1.00 0.00 N ATOM 272 CA ARG A 22 4.533 -2.437 4.925 1.00 0.00 C ATOM 273 C ARG A 22 3.435 -3.304 4.315 1.00 0.00 C ATOM 274 O ARG A 22 2.829 -4.129 4.999 1.00 0.00 O ATOM 275 CB ARG A 22 4.424 -2.457 6.451 1.00 0.00 C ATOM 276 CG ARG A 22 5.384 -1.502 7.142 1.00 0.00 C ATOM 277 CD ARG A 22 6.812 -2.023 7.103 1.00 0.00 C ATOM 278 NE ARG A 22 6.951 -3.294 7.809 1.00 0.00 N ATOM 279 CZ ARG A 22 7.938 -4.155 7.586 1.00 0.00 C ATOM 280 NH1 ARG A 22 8.869 -3.881 6.681 1.00 0.00 N ATOM 281 NH2 ARG A 22 7.996 -5.291 8.268 1.00 0.00 N ATOM 0 H ARG A 22 5.229 -0.791 3.830 1.00 0.00 H new ATOM 0 HA ARG A 22 5.500 -2.845 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.403 -2.203 6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.613 -3.470 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.338 -0.526 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.075 -1.360 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.124 -2.148 6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.479 -1.286 7.549 1.00 0.00 H new ATOM 0 HE ARG A 22 6.252 -3.534 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.828 -3.008 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.626 -4.543 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.282 -5.505 8.965 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.754 -5.951 8.096 1.00 0.00 H new ATOM 295 N VAL A 23 3.185 -3.110 3.024 1.00 0.00 N ATOM 296 CA VAL A 23 2.161 -3.873 2.321 1.00 0.00 C ATOM 297 C VAL A 23 2.732 -4.543 1.076 1.00 0.00 C ATOM 298 O VAL A 23 3.705 -4.065 0.495 1.00 0.00 O ATOM 299 CB VAL A 23 0.976 -2.979 1.912 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.098 -3.800 1.216 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.406 -2.261 3.127 1.00 0.00 C ATOM 0 H VAL A 23 3.678 -2.431 2.444 1.00 0.00 H new ATOM 0 HA VAL A 23 1.807 -4.638 3.012 1.00 0.00 H new ATOM 0 HB VAL A 23 1.337 -2.227 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.927 -3.151 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.320 -4.263 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.458 -4.576 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.431 -1.634 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.061 -2.995 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.179 -1.639 3.578 1.00 0.00 H new ATOM 311 N GLN A 24 2.118 -5.651 0.673 1.00 0.00 N ATOM 312 CA GLN A 24 2.566 -6.386 -0.504 1.00 0.00 C ATOM 313 C GLN A 24 2.733 -5.452 -1.698 1.00 0.00 C ATOM 314 O GLN A 24 1.752 -5.021 -2.304 1.00 0.00 O ATOM 315 CB GLN A 24 1.573 -7.498 -0.846 1.00 0.00 C ATOM 316 CG GLN A 24 1.536 -8.618 0.182 1.00 0.00 C ATOM 317 CD GLN A 24 2.741 -9.533 0.091 1.00 0.00 C ATOM 318 OE1 GLN A 24 2.895 -10.282 -0.875 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.605 -9.477 1.098 1.00 0.00 N ATOM 0 H GLN A 24 1.310 -6.059 1.144 1.00 0.00 H new ATOM 0 HA GLN A 24 3.534 -6.831 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.576 -7.068 -0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.830 -7.917 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.487 -8.187 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.628 -9.204 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.438 -8.842 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.435 -10.069 1.091 1.00 0.00 H new ATOM 328 N VAL A 25 3.982 -5.144 -2.032 1.00 0.00 N ATOM 329 CA VAL A 25 4.278 -4.262 -3.154 1.00 0.00 C ATOM 330 C VAL A 25 3.421 -4.608 -4.366 1.00 0.00 C ATOM 331 O VAL A 25 2.834 -3.728 -4.996 1.00 0.00 O ATOM 332 CB VAL A 25 5.764 -4.338 -3.552 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.160 -5.773 -3.867 1.00 0.00 C ATOM 334 CG2 VAL A 25 6.046 -3.426 -4.737 1.00 0.00 C ATOM 0 H VAL A 25 4.805 -5.493 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 25 4.049 -3.248 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 25 6.365 -3.997 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.213 -5.807 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.997 -6.397 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.554 -6.145 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.101 -3.492 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.436 -3.734 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.803 -2.397 -4.470 1.00 0.00 H new ATOM 344 N MET A 26 3.352 -5.896 -4.687 1.00 0.00 N ATOM 345 CA MET A 26 2.564 -6.359 -5.824 1.00 0.00 C ATOM 346 C MET A 26 1.100 -5.960 -5.669 1.00 0.00 C ATOM 347 O MET A 26 0.423 -5.656 -6.651 1.00 0.00 O ATOM 348 CB MET A 26 2.678 -7.878 -5.965 1.00 0.00 C ATOM 349 CG MET A 26 4.113 -8.374 -6.053 1.00 0.00 C ATOM 350 SD MET A 26 4.902 -7.943 -7.616 1.00 0.00 S ATOM 351 CE MET A 26 3.731 -8.626 -8.787 1.00 0.00 C ATOM 0 H MET A 26 3.832 -6.637 -4.176 1.00 0.00 H new ATOM 0 HA MET A 26 2.958 -5.887 -6.724 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.190 -8.351 -5.113 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.138 -8.193 -6.858 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.690 -7.952 -5.230 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.127 -9.457 -5.930 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.257 -8.929 -9.693 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.239 -9.493 -8.346 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.984 -7.872 -9.036 1.00 0.00 H new ATOM 361 N ASP A 27 0.619 -5.963 -4.431 1.00 0.00 N ATOM 362 CA ASP A 27 -0.765 -5.600 -4.148 1.00 0.00 C ATOM 363 C ASP A 27 -0.871 -4.131 -3.750 1.00 0.00 C ATOM 364 O ASP A 27 0.136 -3.474 -3.489 1.00 0.00 O ATOM 365 CB ASP A 27 -1.330 -6.485 -3.036 1.00 0.00 C ATOM 366 CG ASP A 27 -2.825 -6.698 -3.169 1.00 0.00 C ATOM 367 OD1 ASP A 27 -3.296 -6.911 -4.306 1.00 0.00 O ATOM 368 OD2 ASP A 27 -3.524 -6.653 -2.135 1.00 0.00 O ATOM 0 H ASP A 27 1.167 -6.213 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.348 -5.755 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.825 -7.451 -3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.115 -6.030 -2.069 1.00 0.00 H new ATOM 373 N ALA A 28 -2.098 -3.622 -3.706 1.00 0.00 N ATOM 374 CA ALA A 28 -2.336 -2.232 -3.339 1.00 0.00 C ATOM 375 C ALA A 28 -2.083 -2.006 -1.852 1.00 0.00 C ATOM 376 O ALA A 28 -2.287 -2.903 -1.034 1.00 0.00 O ATOM 377 CB ALA A 28 -3.757 -1.825 -3.702 1.00 0.00 C ATOM 0 H ALA A 28 -2.943 -4.152 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.638 -1.610 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.920 -0.784 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.905 -1.939 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.465 -2.460 -3.169 1.00 0.00 H new ATOM 383 N CYS A 29 -1.636 -0.802 -1.510 1.00 0.00 N ATOM 384 CA CYS A 29 -1.353 -0.458 -0.121 1.00 0.00 C ATOM 385 C CYS A 29 -2.646 -0.289 0.671 1.00 0.00 C ATOM 386 O CYS A 29 -3.735 -0.230 0.099 1.00 0.00 O ATOM 387 CB CYS A 29 -0.527 0.828 -0.051 1.00 0.00 C ATOM 388 SG CYS A 29 -1.366 2.290 -0.743 1.00 0.00 S ATOM 0 H CYS A 29 -1.462 -0.049 -2.175 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.781 -1.274 0.321 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.272 1.027 0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.411 0.674 -0.585 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.606 2.842 -1.641 1.00 0.00 H new ATOM 393 N LEU A 30 -2.518 -0.210 1.991 1.00 0.00 N ATOM 394 CA LEU A 30 -3.676 -0.047 2.864 1.00 0.00 C ATOM 395 C LEU A 30 -4.363 1.292 2.613 1.00 0.00 C ATOM 396 O LEU A 30 -5.496 1.509 3.042 1.00 0.00 O ATOM 397 CB LEU A 30 -3.253 -0.150 4.330 1.00 0.00 C ATOM 398 CG LEU A 30 -3.211 -1.560 4.919 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.663 -1.530 6.338 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.596 -2.190 4.894 1.00 0.00 C ATOM 0 H LEU A 30 -1.624 -0.256 2.480 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.384 -0.845 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.263 0.295 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.938 0.452 4.928 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.545 -2.169 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.641 -2.543 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.653 -1.120 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.302 -0.905 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.547 -3.193 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.283 -1.581 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.951 -2.247 3.865 1.00 0.00 H new ATOM 412 N ARG A 31 -3.669 2.185 1.915 1.00 0.00 N ATOM 413 CA ARG A 31 -4.212 3.502 1.606 1.00 0.00 C ATOM 414 C ARG A 31 -5.065 3.456 0.341 1.00 0.00 C ATOM 415 O ARG A 31 -6.057 4.177 0.222 1.00 0.00 O ATOM 416 CB ARG A 31 -3.080 4.517 1.434 1.00 0.00 C ATOM 417 CG ARG A 31 -2.183 4.641 2.654 1.00 0.00 C ATOM 418 CD ARG A 31 -2.974 5.047 3.888 1.00 0.00 C ATOM 419 NE ARG A 31 -2.149 5.766 4.855 1.00 0.00 N ATOM 420 CZ ARG A 31 -1.863 7.059 4.760 1.00 0.00 C ATOM 421 NH1 ARG A 31 -2.334 7.772 3.746 1.00 0.00 N ATOM 422 NH2 ARG A 31 -1.105 7.642 5.680 1.00 0.00 N ATOM 0 H ARG A 31 -2.730 2.020 1.553 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.844 3.811 2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.473 4.230 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.510 5.493 1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.683 3.690 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.404 5.379 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.814 5.675 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.393 4.158 4.359 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.772 5.246 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.917 7.327 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.113 8.765 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.741 7.097 6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.886 8.635 5.606 1.00 0.00 H new ATOM 436 N CYS A 32 -4.672 2.604 -0.600 1.00 0.00 N ATOM 437 CA CYS A 32 -5.399 2.464 -1.856 1.00 0.00 C ATOM 438 C CYS A 32 -6.504 1.419 -1.732 1.00 0.00 C ATOM 439 O CYS A 32 -7.609 1.608 -2.239 1.00 0.00 O ATOM 440 CB CYS A 32 -4.440 2.076 -2.983 1.00 0.00 C ATOM 441 SG CYS A 32 -3.317 3.415 -3.498 1.00 0.00 S ATOM 0 H CYS A 32 -3.854 2.000 -0.516 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.857 3.425 -2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.845 1.221 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.022 1.753 -3.846 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.278 3.435 -2.717 1.00 0.00 H new ATOM 446 N GLN A 33 -6.197 0.319 -1.053 1.00 0.00 N ATOM 447 CA GLN A 33 -7.164 -0.756 -0.862 1.00 0.00 C ATOM 448 C GLN A 33 -8.406 -0.248 -0.137 1.00 0.00 C ATOM 449 O GLN A 33 -9.509 -0.750 -0.350 1.00 0.00 O ATOM 450 CB GLN A 33 -6.532 -1.904 -0.073 1.00 0.00 C ATOM 451 CG GLN A 33 -5.453 -2.649 -0.842 1.00 0.00 C ATOM 452 CD GLN A 33 -5.255 -4.067 -0.344 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.131 -4.918 -0.494 1.00 0.00 O ATOM 454 NE2 GLN A 33 -4.098 -4.329 0.253 1.00 0.00 N ATOM 0 H GLN A 33 -5.287 0.148 -0.626 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.463 -1.121 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.103 -1.508 0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.312 -2.608 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.717 -2.673 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.512 -2.105 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.399 -3.593 0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.908 -5.266 0.608 1.00 0.00 H new ATOM 463 N ALA A 34 -8.218 0.751 0.719 1.00 0.00 N ATOM 464 CA ALA A 34 -9.324 1.328 1.474 1.00 0.00 C ATOM 465 C ALA A 34 -10.236 2.149 0.570 1.00 0.00 C ATOM 466 O ALA A 34 -11.460 2.067 0.668 1.00 0.00 O ATOM 467 CB ALA A 34 -8.794 2.186 2.613 1.00 0.00 C ATOM 0 H ALA A 34 -7.311 1.178 0.907 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.912 0.511 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.630 2.611 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.190 1.572 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.182 2.991 2.207 1.00 0.00 H new ATOM 473 N GLU A 35 -9.632 2.943 -0.309 1.00 0.00 N ATOM 474 CA GLU A 35 -10.391 3.781 -1.230 1.00 0.00 C ATOM 475 C GLU A 35 -10.608 3.068 -2.562 1.00 0.00 C ATOM 476 O GLU A 35 -11.197 3.625 -3.487 1.00 0.00 O ATOM 477 CB GLU A 35 -9.667 5.109 -1.461 1.00 0.00 C ATOM 478 CG GLU A 35 -9.953 6.152 -0.394 1.00 0.00 C ATOM 479 CD GLU A 35 -11.140 7.030 -0.740 1.00 0.00 C ATOM 480 OE1 GLU A 35 -12.133 6.499 -1.279 1.00 0.00 O ATOM 481 OE2 GLU A 35 -11.076 8.248 -0.472 1.00 0.00 O ATOM 0 H GLU A 35 -8.619 3.023 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.364 3.980 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.593 4.926 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.957 5.507 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.140 5.652 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.071 6.777 -0.257 1.00 0.00 H new ATOM 488 N ASN A 36 -10.127 1.832 -2.650 1.00 0.00 N ATOM 489 CA ASN A 36 -10.267 1.043 -3.868 1.00 0.00 C ATOM 490 C ASN A 36 -9.596 1.740 -5.048 1.00 0.00 C ATOM 491 O ASN A 36 -10.136 1.771 -6.154 1.00 0.00 O ATOM 492 CB ASN A 36 -11.746 0.802 -4.178 1.00 0.00 C ATOM 493 CG ASN A 36 -11.948 0.018 -5.460 1.00 0.00 C ATOM 494 OD1 ASN A 36 -12.202 0.593 -6.519 1.00 0.00 O ATOM 495 ND2 ASN A 36 -11.836 -1.302 -5.371 1.00 0.00 N ATOM 0 H ASN A 36 -9.637 1.356 -1.893 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.775 0.084 -3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.205 0.263 -3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.259 1.761 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.962 -1.882 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.624 -1.736 -4.473 1.00 0.00 H new ATOM 502 N LYS A 37 -8.416 2.299 -4.804 1.00 0.00 N ATOM 503 CA LYS A 37 -7.669 2.995 -5.846 1.00 0.00 C ATOM 504 C LYS A 37 -6.561 2.108 -6.405 1.00 0.00 C ATOM 505 O LYS A 37 -5.641 2.591 -7.065 1.00 0.00 O ATOM 506 CB LYS A 37 -7.069 4.290 -5.293 1.00 0.00 C ATOM 507 CG LYS A 37 -8.060 5.132 -4.509 1.00 0.00 C ATOM 508 CD LYS A 37 -7.685 6.605 -4.536 1.00 0.00 C ATOM 509 CE LYS A 37 -6.773 6.969 -3.374 1.00 0.00 C ATOM 510 NZ LYS A 37 -7.546 7.407 -2.179 1.00 0.00 N ATOM 0 H LYS A 37 -7.956 2.284 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.360 3.237 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.225 4.044 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.677 4.881 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.059 5.002 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.098 4.784 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.187 6.838 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.589 7.213 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.157 6.109 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.095 7.766 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.290 8.386 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.564 7.356 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.324 6.785 -1.375 1.00 0.00 H new ATOM 524 N GLN A 38 -6.657 0.809 -6.138 1.00 0.00 N ATOM 525 CA GLN A 38 -5.662 -0.144 -6.616 1.00 0.00 C ATOM 526 C GLN A 38 -5.300 0.132 -8.072 1.00 0.00 C ATOM 527 O GLN A 38 -4.128 0.294 -8.409 1.00 0.00 O ATOM 528 CB GLN A 38 -6.185 -1.574 -6.470 1.00 0.00 C ATOM 529 CG GLN A 38 -6.670 -1.904 -5.068 1.00 0.00 C ATOM 530 CD GLN A 38 -8.143 -1.601 -4.874 1.00 0.00 C ATOM 531 OE1 GLN A 38 -8.778 -0.978 -5.726 1.00 0.00 O ATOM 532 NE2 GLN A 38 -8.695 -2.041 -3.749 1.00 0.00 N ATOM 0 H GLN A 38 -7.413 0.393 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.764 -0.029 -6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.003 -1.726 -7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.394 -2.271 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.490 -2.960 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.087 -1.336 -4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.131 -2.553 -3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.683 -1.867 -3.563 1.00 0.00 H new ATOM 541 N GLU A 39 -6.315 0.182 -8.930 1.00 0.00 N ATOM 542 CA GLU A 39 -6.102 0.437 -10.350 1.00 0.00 C ATOM 543 C GLU A 39 -4.909 1.365 -10.563 1.00 0.00 C ATOM 544 O GLU A 39 -4.165 1.223 -11.533 1.00 0.00 O ATOM 545 CB GLU A 39 -7.357 1.050 -10.975 1.00 0.00 C ATOM 546 CG GLU A 39 -8.476 0.047 -11.200 1.00 0.00 C ATOM 547 CD GLU A 39 -9.778 0.708 -11.611 1.00 0.00 C ATOM 548 OE1 GLU A 39 -9.764 1.491 -12.584 1.00 0.00 O ATOM 549 OE2 GLU A 39 -10.809 0.443 -10.959 1.00 0.00 O ATOM 0 H GLU A 39 -7.291 0.049 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.891 -0.515 -10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.721 1.849 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.092 1.506 -11.929 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.174 -0.662 -11.971 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.636 -0.525 -10.286 1.00 0.00 H new ATOM 556 N ASP A 40 -4.735 2.314 -9.650 1.00 0.00 N ATOM 557 CA ASP A 40 -3.633 3.266 -9.737 1.00 0.00 C ATOM 558 C ASP A 40 -2.401 2.738 -9.008 1.00 0.00 C ATOM 559 O ASP A 40 -1.276 2.872 -9.492 1.00 0.00 O ATOM 560 CB ASP A 40 -4.049 4.615 -9.150 1.00 0.00 C ATOM 561 CG ASP A 40 -3.702 4.739 -7.679 1.00 0.00 C ATOM 562 OD1 ASP A 40 -2.497 4.725 -7.351 1.00 0.00 O ATOM 563 OD2 ASP A 40 -4.635 4.850 -6.857 1.00 0.00 O ATOM 0 H ASP A 40 -5.343 2.445 -8.841 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.382 3.399 -10.789 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.559 5.416 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.123 4.748 -9.279 1.00 0.00 H new ATOM 568 N CYS A 41 -2.620 2.139 -7.843 1.00 0.00 N ATOM 569 CA CYS A 41 -1.529 1.593 -7.046 1.00 0.00 C ATOM 570 C CYS A 41 -0.741 0.556 -7.841 1.00 0.00 C ATOM 571 O CYS A 41 -1.032 -0.639 -7.783 1.00 0.00 O ATOM 572 CB CYS A 41 -2.072 0.962 -5.762 1.00 0.00 C ATOM 573 SG CYS A 41 -0.865 0.891 -4.400 1.00 0.00 S ATOM 0 H CYS A 41 -3.545 2.019 -7.429 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.859 2.412 -6.785 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.943 1.528 -5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.414 -0.049 -5.983 1.00 0.00 H new ATOM 0 HG CYS A 41 -1.289 1.613 -3.406 1.00 0.00 H new ATOM 578 N VAL A 42 0.259 1.022 -8.584 1.00 0.00 N ATOM 579 CA VAL A 42 1.090 0.135 -9.389 1.00 0.00 C ATOM 580 C VAL A 42 2.428 -0.132 -8.710 1.00 0.00 C ATOM 581 O VAL A 42 2.738 0.455 -7.673 1.00 0.00 O ATOM 582 CB VAL A 42 1.346 0.726 -10.789 1.00 0.00 C ATOM 583 CG1 VAL A 42 0.041 0.870 -11.556 1.00 0.00 C ATOM 584 CG2 VAL A 42 2.061 2.064 -10.679 1.00 0.00 C ATOM 0 H VAL A 42 0.513 2.008 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 42 0.545 -0.804 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 42 1.989 0.041 -11.341 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.243 1.289 -12.542 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.426 -0.109 -11.666 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.630 1.533 -11.010 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.234 2.467 -11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.446 2.759 -10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.016 1.925 -10.173 1.00 0.00 H new ATOM 594 N VAL A 43 3.218 -1.023 -9.300 1.00 0.00 N ATOM 595 CA VAL A 43 4.524 -1.369 -8.753 1.00 0.00 C ATOM 596 C VAL A 43 5.636 -0.600 -9.457 1.00 0.00 C ATOM 597 O VAL A 43 5.754 -0.640 -10.682 1.00 0.00 O ATOM 598 CB VAL A 43 4.802 -2.879 -8.874 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.201 -3.206 -8.374 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.754 -3.676 -8.113 1.00 0.00 C ATOM 0 H VAL A 43 2.976 -1.519 -10.158 1.00 0.00 H new ATOM 0 HA VAL A 43 4.508 -1.094 -7.698 1.00 0.00 H new ATOM 0 HB VAL A 43 4.744 -3.159 -9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.380 -4.277 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.936 -2.663 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.291 -2.913 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.966 -4.741 -8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.777 -3.395 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.767 -3.464 -8.523 1.00 0.00 H new ATOM 610 N VAL A 44 6.450 0.102 -8.675 1.00 0.00 N ATOM 611 CA VAL A 44 7.555 0.880 -9.224 1.00 0.00 C ATOM 612 C VAL A 44 8.899 0.258 -8.859 1.00 0.00 C ATOM 613 O VAL A 44 9.286 0.235 -7.691 1.00 0.00 O ATOM 614 CB VAL A 44 7.521 2.335 -8.720 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.594 2.376 -7.201 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.654 3.139 -9.339 1.00 0.00 C ATOM 0 H VAL A 44 6.365 0.148 -7.660 1.00 0.00 H new ATOM 0 HA VAL A 44 7.438 0.876 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 44 6.577 2.786 -9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.569 3.412 -6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.745 1.837 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.521 1.909 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.615 4.165 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.609 2.692 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.551 3.138 -10.424 1.00 0.00 H new ATOM 626 N TRP A 45 9.605 -0.242 -9.866 1.00 0.00 N ATOM 627 CA TRP A 45 10.907 -0.864 -9.652 1.00 0.00 C ATOM 628 C TRP A 45 12.025 0.170 -9.740 1.00 0.00 C ATOM 629 O TRP A 45 11.972 1.087 -10.558 1.00 0.00 O ATOM 630 CB TRP A 45 11.140 -1.974 -10.678 1.00 0.00 C ATOM 631 CG TRP A 45 10.181 -3.118 -10.543 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.410 -4.310 -9.917 1.00 0.00 C ATOM 633 CD2 TRP A 45 8.843 -3.178 -11.049 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.294 -5.107 -10.003 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.319 -4.436 -10.691 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.036 -2.291 -11.767 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.026 -4.826 -11.030 1.00 0.00 C ATOM 638 CZ3 TRP A 45 6.753 -2.681 -12.102 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.258 -3.938 -11.733 1.00 0.00 C ATOM 0 H TRP A 45 9.298 -0.229 -10.839 1.00 0.00 H new ATOM 0 HA TRP A 45 10.915 -1.297 -8.652 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.056 -1.555 -11.681 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.158 -2.348 -10.573 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.332 -4.585 -9.427 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.206 -6.047 -9.617 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.408 -1.319 -12.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.643 -5.795 -10.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.121 -2.004 -12.658 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.250 -4.212 -12.009 1.00 0.00 H new ATOM 650 N GLY A 46 13.036 0.015 -8.891 1.00 0.00 N ATOM 651 CA GLY A 46 14.152 0.943 -8.891 1.00 0.00 C ATOM 652 C GLY A 46 15.431 0.312 -9.405 1.00 0.00 C ATOM 653 O GLY A 46 15.504 -0.904 -9.578 1.00 0.00 O ATOM 0 H GLY A 46 13.102 -0.736 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.903 1.806 -9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.314 1.312 -7.878 1.00 0.00 H new ATOM 657 N GLU A 47 16.441 1.141 -9.652 1.00 0.00 N ATOM 658 CA GLU A 47 17.721 0.656 -10.152 1.00 0.00 C ATOM 659 C GLU A 47 18.397 -0.252 -9.129 1.00 0.00 C ATOM 660 O GLU A 47 19.204 -1.112 -9.482 1.00 0.00 O ATOM 661 CB GLU A 47 18.640 1.832 -10.491 1.00 0.00 C ATOM 662 CG GLU A 47 18.345 2.467 -11.840 1.00 0.00 C ATOM 663 CD GLU A 47 19.040 1.755 -12.984 1.00 0.00 C ATOM 664 OE1 GLU A 47 20.097 1.134 -12.743 1.00 0.00 O ATOM 665 OE2 GLU A 47 18.528 1.819 -14.121 1.00 0.00 O ATOM 0 H GLU A 47 16.397 2.151 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 47 17.532 0.078 -11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.547 2.591 -9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.674 1.489 -10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.269 2.460 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.659 3.511 -11.822 1.00 0.00 H new ATOM 672 N CYS A 48 18.060 -0.055 -7.859 1.00 0.00 N ATOM 673 CA CYS A 48 18.633 -0.854 -6.782 1.00 0.00 C ATOM 674 C CYS A 48 17.988 -2.236 -6.728 1.00 0.00 C ATOM 675 O CYS A 48 18.260 -3.024 -5.824 1.00 0.00 O ATOM 676 CB CYS A 48 18.456 -0.143 -5.440 1.00 0.00 C ATOM 677 SG CYS A 48 16.720 0.195 -5.002 1.00 0.00 S ATOM 0 H CYS A 48 17.392 0.652 -7.550 1.00 0.00 H new ATOM 0 HA CYS A 48 19.698 -0.977 -6.982 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.906 -0.752 -4.656 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.004 0.799 -5.465 1.00 0.00 H new ATOM 0 HG CYS A 48 16.645 0.522 -3.746 1.00 0.00 H new ATOM 682 N ASN A 49 17.130 -2.521 -7.702 1.00 0.00 N ATOM 683 CA ASN A 49 16.445 -3.807 -7.766 1.00 0.00 C ATOM 684 C ASN A 49 15.455 -3.953 -6.614 1.00 0.00 C ATOM 685 O ASN A 49 15.386 -5.000 -5.969 1.00 0.00 O ATOM 686 CB ASN A 49 17.460 -4.952 -7.729 1.00 0.00 C ATOM 687 CG ASN A 49 16.825 -6.297 -8.026 1.00 0.00 C ATOM 688 OD1 ASN A 49 16.855 -7.206 -7.197 1.00 0.00 O ATOM 689 ND2 ASN A 49 16.247 -6.428 -9.214 1.00 0.00 N ATOM 0 H ASN A 49 16.892 -1.879 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 49 15.893 -3.850 -8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.249 -4.758 -8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.931 -4.985 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.803 -7.310 -9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.246 -5.647 -9.870 1.00 0.00 H new ATOM 696 N HIS A 50 14.689 -2.896 -6.361 1.00 0.00 N ATOM 697 CA HIS A 50 13.702 -2.906 -5.288 1.00 0.00 C ATOM 698 C HIS A 50 12.376 -2.320 -5.764 1.00 0.00 C ATOM 699 O HIS A 50 12.319 -1.178 -6.220 1.00 0.00 O ATOM 700 CB HIS A 50 14.218 -2.119 -4.084 1.00 0.00 C ATOM 701 CG HIS A 50 15.331 -2.804 -3.352 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.241 -2.131 -2.565 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.676 -4.111 -3.290 1.00 0.00 C ATOM 704 CE1 HIS A 50 17.099 -2.994 -2.051 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.778 -4.203 -2.475 1.00 0.00 N ATOM 0 H HIS A 50 14.733 -2.022 -6.885 1.00 0.00 H new ATOM 0 HA HIS A 50 13.536 -3.941 -4.991 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.563 -1.141 -4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.393 -1.945 -3.393 1.00 0.00 H new ATOM 0 HD1 HIS A 50 16.250 -1.124 -2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.178 -4.929 -3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.923 -2.752 -1.396 1.00 0.00 H new ATOM 713 N SER A 51 11.312 -3.110 -5.656 1.00 0.00 N ATOM 714 CA SER A 51 9.988 -2.670 -6.079 1.00 0.00 C ATOM 715 C SER A 51 9.237 -2.017 -4.923 1.00 0.00 C ATOM 716 O SER A 51 9.341 -2.451 -3.776 1.00 0.00 O ATOM 717 CB SER A 51 9.184 -3.854 -6.621 1.00 0.00 C ATOM 718 OG SER A 51 8.749 -4.699 -5.569 1.00 0.00 O ATOM 0 H SER A 51 11.341 -4.057 -5.279 1.00 0.00 H new ATOM 0 HA SER A 51 10.113 -1.931 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.322 -3.488 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.796 -4.424 -7.320 1.00 0.00 H new ATOM 0 HG SER A 51 8.377 -5.524 -5.945 1.00 0.00 H new ATOM 724 N PHE A 52 8.480 -0.970 -5.235 1.00 0.00 N ATOM 725 CA PHE A 52 7.711 -0.255 -4.223 1.00 0.00 C ATOM 726 C PHE A 52 6.373 0.214 -4.787 1.00 0.00 C ATOM 727 O PHE A 52 6.026 -0.092 -5.928 1.00 0.00 O ATOM 728 CB PHE A 52 8.505 0.945 -3.702 1.00 0.00 C ATOM 729 CG PHE A 52 9.760 0.561 -2.971 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.737 0.321 -1.607 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.963 0.440 -3.648 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.890 -0.032 -0.932 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.119 0.087 -2.979 1.00 0.00 C ATOM 734 CZ PHE A 52 12.083 -0.150 -1.619 1.00 0.00 C ATOM 0 H PHE A 52 8.383 -0.598 -6.180 1.00 0.00 H new ATOM 0 HA PHE A 52 7.518 -0.941 -3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.766 1.590 -4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.870 1.529 -3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.807 0.411 -1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.997 0.624 -4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.859 -0.216 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.050 -0.004 -3.519 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.985 -0.427 -1.094 1.00 0.00 H new ATOM 744 N HIS A 53 5.624 0.957 -3.978 1.00 0.00 N ATOM 745 CA HIS A 53 4.323 1.468 -4.395 1.00 0.00 C ATOM 746 C HIS A 53 4.451 2.879 -4.964 1.00 0.00 C ATOM 747 O HIS A 53 4.744 3.827 -4.237 1.00 0.00 O ATOM 748 CB HIS A 53 3.349 1.467 -3.217 1.00 0.00 C ATOM 749 CG HIS A 53 2.885 0.098 -2.825 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.833 -0.333 -1.516 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.448 -0.938 -3.578 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.386 -1.575 -1.482 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.145 -1.966 -2.720 1.00 0.00 N ATOM 0 H HIS A 53 5.896 1.218 -3.030 1.00 0.00 H new ATOM 0 HA HIS A 53 3.936 0.813 -5.176 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.829 1.939 -2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.482 2.076 -3.472 1.00 0.00 H new ATOM 0 HD1 HIS A 53 3.098 0.221 -0.702 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.355 -0.953 -4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.242 -2.170 -0.592 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.791 -2.883 -2.994 1.00 0.00 H new ATOM 761 N ASN A 54 4.229 3.008 -6.268 1.00 0.00 N ATOM 762 CA ASN A 54 4.320 4.302 -6.934 1.00 0.00 C ATOM 763 C ASN A 54 3.704 5.401 -6.074 1.00 0.00 C ATOM 764 O ASN A 54 4.211 6.522 -6.022 1.00 0.00 O ATOM 765 CB ASN A 54 3.621 4.250 -8.294 1.00 0.00 C ATOM 766 CG ASN A 54 2.143 4.576 -8.196 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.376 3.672 -7.597 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.696 5.628 -8.655 1.00 0.00 N flip ATOM 0 H ASN A 54 3.985 2.233 -6.884 1.00 0.00 H new ATOM 0 HA ASN A 54 5.375 4.532 -7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.101 4.954 -8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.744 3.256 -8.725 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.322 6.294 -9.107 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.699 5.833 -8.583 1.00 0.00 H new ATOM 775 N CYS A 55 2.607 5.072 -5.400 1.00 0.00 N ATOM 776 CA CYS A 55 1.920 6.030 -4.542 1.00 0.00 C ATOM 777 C CYS A 55 2.739 6.323 -3.289 1.00 0.00 C ATOM 778 O CYS A 55 2.938 7.480 -2.920 1.00 0.00 O ATOM 779 CB CYS A 55 0.540 5.497 -4.150 1.00 0.00 C ATOM 780 SG CYS A 55 0.584 3.925 -3.231 1.00 0.00 S ATOM 0 H CYS A 55 2.175 4.149 -5.432 1.00 0.00 H new ATOM 0 HA CYS A 55 1.799 6.958 -5.100 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.032 6.246 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.055 5.361 -5.053 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.029 3.005 -3.915 1.00 0.00 H new ATOM 785 N CYS A 56 3.213 5.265 -2.638 1.00 0.00 N ATOM 786 CA CYS A 56 4.011 5.407 -1.426 1.00 0.00 C ATOM 787 C CYS A 56 5.337 6.100 -1.726 1.00 0.00 C ATOM 788 O CYS A 56 5.632 7.161 -1.176 1.00 0.00 O ATOM 789 CB CYS A 56 4.270 4.036 -0.798 1.00 0.00 C ATOM 790 SG CYS A 56 2.758 3.133 -0.333 1.00 0.00 S ATOM 0 H CYS A 56 3.058 4.300 -2.930 1.00 0.00 H new ATOM 0 HA CYS A 56 3.451 6.022 -0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.841 3.429 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.890 4.166 0.089 1.00 0.00 H new ATOM 0 HG CYS A 56 1.854 3.298 -1.253 1.00 0.00 H new ATOM 795 N MET A 57 6.131 5.493 -2.601 1.00 0.00 N ATOM 796 CA MET A 57 7.425 6.053 -2.975 1.00 0.00 C ATOM 797 C MET A 57 7.317 7.555 -3.218 1.00 0.00 C ATOM 798 O MET A 57 8.121 8.335 -2.707 1.00 0.00 O ATOM 799 CB MET A 57 7.962 5.359 -4.228 1.00 0.00 C ATOM 800 CG MET A 57 9.480 5.327 -4.301 1.00 0.00 C ATOM 801 SD MET A 57 10.186 3.896 -3.460 1.00 0.00 S ATOM 802 CE MET A 57 11.443 4.681 -2.454 1.00 0.00 C ATOM 0 H MET A 57 5.902 4.614 -3.064 1.00 0.00 H new ATOM 0 HA MET A 57 8.118 5.885 -2.151 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.583 4.337 -4.258 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.575 5.869 -5.110 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.790 5.319 -5.346 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.881 6.238 -3.857 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.303 4.018 -2.363 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.753 5.615 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.039 4.888 -1.463 1.00 0.00 H new ATOM 812 N SER A 58 6.320 7.954 -4.001 1.00 0.00 N ATOM 813 CA SER A 58 6.110 9.362 -4.315 1.00 0.00 C ATOM 814 C SER A 58 5.970 10.188 -3.040 1.00 0.00 C ATOM 815 O SER A 58 6.341 11.362 -3.002 1.00 0.00 O ATOM 816 CB SER A 58 4.865 9.532 -5.187 1.00 0.00 C ATOM 817 OG SER A 58 5.034 8.907 -6.447 1.00 0.00 O ATOM 0 H SER A 58 5.645 7.321 -4.430 1.00 0.00 H new ATOM 0 HA SER A 58 6.980 9.720 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.001 9.105 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.659 10.593 -5.329 1.00 0.00 H new ATOM 0 HG SER A 58 5.105 7.937 -6.324 1.00 0.00 H new ATOM 823 N LEU A 59 5.430 9.566 -1.997 1.00 0.00 N ATOM 824 CA LEU A 59 5.240 10.242 -0.718 1.00 0.00 C ATOM 825 C LEU A 59 6.496 10.147 0.141 1.00 0.00 C ATOM 826 O LEU A 59 6.839 11.083 0.862 1.00 0.00 O ATOM 827 CB LEU A 59 4.050 9.637 0.028 1.00 0.00 C ATOM 828 CG LEU A 59 2.693 9.750 -0.667 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.659 8.883 0.035 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.235 11.201 -0.709 1.00 0.00 C ATOM 0 H LEU A 59 5.116 8.596 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 59 5.039 11.295 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.257 8.582 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.977 10.117 1.004 1.00 0.00 H new ATOM 0 HG LEU A 59 2.800 9.393 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.700 8.977 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.982 7.842 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.554 9.208 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.267 11.263 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.145 11.584 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.964 11.797 -1.258 1.00 0.00 H new ATOM 842 N TRP A 60 7.179 9.011 0.057 1.00 0.00 N ATOM 843 CA TRP A 60 8.399 8.794 0.826 1.00 0.00 C ATOM 844 C TRP A 60 9.518 9.709 0.341 1.00 0.00 C ATOM 845 O TRP A 60 10.284 10.247 1.140 1.00 0.00 O ATOM 846 CB TRP A 60 8.838 7.332 0.723 1.00 0.00 C ATOM 847 CG TRP A 60 10.241 7.099 1.195 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.388 7.273 0.474 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.645 6.646 2.492 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.481 6.957 1.245 1.00 0.00 N ATOM 851 CE2 TRP A 60 12.052 6.570 2.487 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.956 6.300 3.657 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.778 6.160 3.602 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.678 5.894 4.763 1.00 0.00 C ATOM 855 CH2 TRP A 60 12.077 5.827 4.729 1.00 0.00 C ATOM 0 H TRP A 60 6.909 8.226 -0.536 1.00 0.00 H new ATOM 0 HA TRP A 60 8.188 9.030 1.869 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.158 6.714 1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.752 7.006 -0.314 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.430 7.609 -0.551 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.454 7.003 0.942 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.878 6.349 3.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.856 6.107 3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.155 5.624 5.669 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.613 5.506 5.610 1.00 0.00 H new ATOM 866 N VAL A 61 9.607 9.881 -0.975 1.00 0.00 N ATOM 867 CA VAL A 61 10.632 10.733 -1.566 1.00 0.00 C ATOM 868 C VAL A 61 10.440 12.189 -1.157 1.00 0.00 C ATOM 869 O VAL A 61 11.380 12.984 -1.187 1.00 0.00 O ATOM 870 CB VAL A 61 10.623 10.637 -3.103 1.00 0.00 C ATOM 871 CG1 VAL A 61 10.849 9.201 -3.550 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.317 11.179 -3.663 1.00 0.00 C ATOM 0 H VAL A 61 8.982 9.442 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 61 11.593 10.378 -1.193 1.00 0.00 H new ATOM 0 HB VAL A 61 11.439 11.246 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.839 9.153 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.813 8.852 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.057 8.567 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.328 11.103 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.483 10.599 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.202 12.223 -3.373 1.00 0.00 H new ATOM 882 N LYS A 62 9.215 12.533 -0.775 1.00 0.00 N ATOM 883 CA LYS A 62 8.897 13.894 -0.358 1.00 0.00 C ATOM 884 C LYS A 62 9.783 14.327 0.806 1.00 0.00 C ATOM 885 O LYS A 62 10.151 15.496 0.915 1.00 0.00 O ATOM 886 CB LYS A 62 7.424 13.996 0.044 1.00 0.00 C ATOM 887 CG LYS A 62 6.463 13.793 -1.115 1.00 0.00 C ATOM 888 CD LYS A 62 6.113 15.111 -1.786 1.00 0.00 C ATOM 889 CE LYS A 62 5.278 14.894 -3.039 1.00 0.00 C ATOM 890 NZ LYS A 62 4.670 16.163 -3.527 1.00 0.00 N ATOM 0 H LYS A 62 8.425 11.888 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 62 9.084 14.558 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.214 13.254 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.244 14.975 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.910 13.119 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.553 13.314 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.565 15.742 -1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.028 15.643 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.903 14.466 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.490 14.171 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.109 15.973 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.053 16.559 -2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.423 16.845 -3.751 1.00 0.00 H new ATOM 904 N GLN A 63 10.121 13.377 1.672 1.00 0.00 N ATOM 905 CA GLN A 63 10.964 13.662 2.827 1.00 0.00 C ATOM 906 C GLN A 63 12.321 12.977 2.693 1.00 0.00 C ATOM 907 O GLN A 63 13.358 13.571 2.986 1.00 0.00 O ATOM 908 CB GLN A 63 10.275 13.205 4.114 1.00 0.00 C ATOM 909 CG GLN A 63 8.895 13.812 4.313 1.00 0.00 C ATOM 910 CD GLN A 63 8.239 13.359 5.602 1.00 0.00 C ATOM 911 OE1 GLN A 63 7.547 12.341 5.636 1.00 0.00 O ATOM 912 NE2 GLN A 63 8.453 14.115 6.673 1.00 0.00 N ATOM 0 H GLN A 63 9.824 12.404 1.596 1.00 0.00 H new ATOM 0 HA GLN A 63 11.123 14.739 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.187 12.119 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.904 13.466 4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.977 14.899 4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.258 13.541 3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.033 14.951 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.037 13.860 7.569 1.00 0.00 H new ATOM 921 N ASN A 64 12.305 11.725 2.248 1.00 0.00 N ATOM 922 CA ASN A 64 13.534 10.959 2.075 1.00 0.00 C ATOM 923 C ASN A 64 13.665 10.457 0.641 1.00 0.00 C ATOM 924 O ASN A 64 13.022 9.483 0.252 1.00 0.00 O ATOM 925 CB ASN A 64 13.563 9.777 3.046 1.00 0.00 C ATOM 926 CG ASN A 64 13.782 10.214 4.482 1.00 0.00 C ATOM 927 OD1 ASN A 64 14.496 11.181 4.747 1.00 0.00 O ATOM 928 ND2 ASN A 64 13.166 9.500 5.418 1.00 0.00 N ATOM 0 H ASN A 64 11.455 11.219 2.001 1.00 0.00 H new ATOM 0 HA ASN A 64 14.376 11.617 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.624 9.229 2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.356 9.089 2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.276 9.746 6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.583 8.706 5.153 1.00 0.00 H new ATOM 935 N ASN A 65 14.504 11.129 -0.141 1.00 0.00 N ATOM 936 CA ASN A 65 14.720 10.751 -1.533 1.00 0.00 C ATOM 937 C ASN A 65 15.739 9.621 -1.638 1.00 0.00 C ATOM 938 O ASN A 65 16.661 9.676 -2.451 1.00 0.00 O ATOM 939 CB ASN A 65 15.196 11.959 -2.343 1.00 0.00 C ATOM 940 CG ASN A 65 14.780 11.878 -3.799 1.00 0.00 C ATOM 941 OD1 ASN A 65 15.540 11.412 -4.649 1.00 0.00 O ATOM 942 ND2 ASN A 65 13.569 12.334 -4.095 1.00 0.00 N ATOM 0 H ASN A 65 15.045 11.938 0.165 1.00 0.00 H new ATOM 0 HA ASN A 65 13.772 10.400 -1.940 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.792 12.871 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.282 12.029 -2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.235 12.307 -5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.972 12.712 -3.359 1.00 0.00 H new ATOM 949 N ARG A 66 15.565 8.596 -0.809 1.00 0.00 N ATOM 950 CA ARG A 66 16.469 7.453 -0.808 1.00 0.00 C ATOM 951 C ARG A 66 15.722 6.169 -0.460 1.00 0.00 C ATOM 952 O ARG A 66 14.912 6.141 0.467 1.00 0.00 O ATOM 953 CB ARG A 66 17.609 7.678 0.188 1.00 0.00 C ATOM 954 CG ARG A 66 18.466 8.892 -0.132 1.00 0.00 C ATOM 955 CD ARG A 66 19.298 9.317 1.068 1.00 0.00 C ATOM 956 NE ARG A 66 19.695 10.720 0.989 1.00 0.00 N ATOM 957 CZ ARG A 66 20.750 11.148 0.304 1.00 0.00 C ATOM 958 NH1 ARG A 66 21.509 10.285 -0.358 1.00 0.00 N ATOM 959 NH2 ARG A 66 21.047 12.441 0.279 1.00 0.00 N ATOM 0 H ARG A 66 14.806 8.534 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 66 16.886 7.351 -1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.190 7.793 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.243 6.791 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.124 8.664 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.827 9.718 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.727 9.153 1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.188 8.691 1.132 1.00 0.00 H new ATOM 0 HE ARG A 66 19.132 11.409 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.283 9.290 -0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.318 10.616 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.465 13.108 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.857 12.768 -0.247 1.00 0.00 H new ATOM 973 N CYS A 67 15.999 5.107 -1.210 1.00 0.00 N ATOM 974 CA CYS A 67 15.353 3.820 -0.983 1.00 0.00 C ATOM 975 C CYS A 67 15.400 3.441 0.495 1.00 0.00 C ATOM 976 O CYS A 67 16.466 3.347 1.104 1.00 0.00 O ATOM 977 CB CYS A 67 16.028 2.732 -1.821 1.00 0.00 C ATOM 978 SG CYS A 67 15.069 1.188 -1.946 1.00 0.00 S ATOM 0 H CYS A 67 16.667 5.113 -1.981 1.00 0.00 H new ATOM 0 HA CYS A 67 14.309 3.907 -1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.206 3.119 -2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 67 17.003 2.508 -1.388 1.00 0.00 H new ATOM 0 HG CYS A 67 13.802 1.469 -2.024 1.00 0.00 H new ATOM 983 N PRO A 68 14.217 3.219 1.086 1.00 0.00 N ATOM 984 CA PRO A 68 14.095 2.847 2.499 1.00 0.00 C ATOM 985 C PRO A 68 14.607 1.437 2.773 1.00 0.00 C ATOM 986 O PRO A 68 14.463 0.917 3.880 1.00 0.00 O ATOM 987 CB PRO A 68 12.589 2.928 2.759 1.00 0.00 C ATOM 988 CG PRO A 68 11.962 2.712 1.425 1.00 0.00 C ATOM 989 CD PRO A 68 12.906 3.314 0.421 1.00 0.00 C ATOM 0 HA PRO A 68 14.688 3.496 3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.269 2.170 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.311 3.896 3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.812 1.650 1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.982 3.187 1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.893 2.767 -0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.645 4.347 0.193 1.00 0.00 H new ATOM 997 N LEU A 69 15.207 0.823 1.758 1.00 0.00 N ATOM 998 CA LEU A 69 15.741 -0.528 1.890 1.00 0.00 C ATOM 999 C LEU A 69 17.264 -0.522 1.799 1.00 0.00 C ATOM 1000 O LEU A 69 17.944 -1.219 2.553 1.00 0.00 O ATOM 1001 CB LEU A 69 15.158 -1.437 0.807 1.00 0.00 C ATOM 1002 CG LEU A 69 13.838 -2.128 1.150 1.00 0.00 C ATOM 1003 CD1 LEU A 69 12.812 -1.112 1.627 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.310 -2.897 -0.053 1.00 0.00 C ATOM 0 H LEU A 69 15.336 1.239 0.836 1.00 0.00 H new ATOM 0 HA LEU A 69 15.455 -0.911 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.011 -0.845 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.895 -2.204 0.569 1.00 0.00 H new ATOM 0 HG LEU A 69 14.020 -2.837 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.879 -1.622 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.187 -0.606 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.633 -0.379 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.370 -3.382 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.144 -2.208 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.038 -3.652 -0.350 1.00 0.00 H new ATOM 1016 N CYS A 70 17.793 0.270 0.873 1.00 0.00 N ATOM 1017 CA CYS A 70 19.235 0.369 0.684 1.00 0.00 C ATOM 1018 C CYS A 70 19.693 1.824 0.742 1.00 0.00 C ATOM 1019 O CYS A 70 20.812 2.148 0.347 1.00 0.00 O ATOM 1020 CB CYS A 70 19.639 -0.251 -0.656 1.00 0.00 C ATOM 1021 SG CYS A 70 18.751 0.436 -2.090 1.00 0.00 S ATOM 0 H CYS A 70 17.244 0.853 0.241 1.00 0.00 H new ATOM 0 HA CYS A 70 19.720 -0.179 1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.710 -0.108 -0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.464 -1.326 -0.614 1.00 0.00 H new ATOM 0 HG CYS A 70 17.476 0.464 -1.838 1.00 0.00 H new ATOM 1026 N GLN A 71 18.819 2.694 1.237 1.00 0.00 N ATOM 1027 CA GLN A 71 19.133 4.114 1.346 1.00 0.00 C ATOM 1028 C GLN A 71 20.052 4.557 0.212 1.00 0.00 C ATOM 1029 O GLN A 71 20.980 5.337 0.423 1.00 0.00 O ATOM 1030 CB GLN A 71 19.789 4.410 2.696 1.00 0.00 C ATOM 1031 CG GLN A 71 20.740 3.320 3.162 1.00 0.00 C ATOM 1032 CD GLN A 71 20.015 2.080 3.646 1.00 0.00 C ATOM 1033 OE1 GLN A 71 20.344 0.961 3.252 1.00 0.00 O ATOM 1034 NE2 GLN A 71 19.021 2.273 4.505 1.00 0.00 N ATOM 0 H GLN A 71 17.888 2.441 1.569 1.00 0.00 H new ATOM 0 HA GLN A 71 18.201 4.674 1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.334 5.351 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.011 4.547 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.406 3.050 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.365 3.708 3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.782 3.218 4.805 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.496 1.476 4.865 1.00 0.00 H new ATOM 1043 N GLN A 72 19.787 4.053 -0.989 1.00 0.00 N ATOM 1044 CA GLN A 72 20.592 4.396 -2.155 1.00 0.00 C ATOM 1045 C GLN A 72 19.833 5.341 -3.081 1.00 0.00 C ATOM 1046 O GLN A 72 18.602 5.379 -3.072 1.00 0.00 O ATOM 1047 CB GLN A 72 20.993 3.131 -2.915 1.00 0.00 C ATOM 1048 CG GLN A 72 22.182 2.406 -2.305 1.00 0.00 C ATOM 1049 CD GLN A 72 22.983 1.631 -3.333 1.00 0.00 C ATOM 1050 OE1 GLN A 72 22.683 1.668 -4.526 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.010 0.925 -2.874 1.00 0.00 N ATOM 0 H GLN A 72 19.022 3.406 -1.180 1.00 0.00 H new ATOM 0 HA GLN A 72 21.492 4.902 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.141 2.451 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.229 3.396 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.832 3.131 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.829 1.721 -1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.222 0.923 -1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 72 24.586 0.385 -3.519 1.00 0.00 H new ATOM 1060 N ASP A 73 20.574 6.101 -3.879 1.00 0.00 N ATOM 1061 CA ASP A 73 19.971 7.046 -4.812 1.00 0.00 C ATOM 1062 C ASP A 73 18.793 6.410 -5.543 1.00 0.00 C ATOM 1063 O ASP A 73 18.976 5.682 -6.520 1.00 0.00 O ATOM 1064 CB ASP A 73 21.011 7.533 -5.821 1.00 0.00 C ATOM 1065 CG ASP A 73 20.633 8.862 -6.447 1.00 0.00 C ATOM 1066 OD1 ASP A 73 20.093 9.726 -5.724 1.00 0.00 O ATOM 1067 OD2 ASP A 73 20.879 9.038 -7.658 1.00 0.00 O ATOM 0 H ASP A 73 21.594 6.081 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 73 19.604 7.899 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.977 7.630 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.129 6.786 -6.606 1.00 0.00 H new ATOM 1072 N TRP A 74 17.586 6.688 -5.065 1.00 0.00 N ATOM 1073 CA TRP A 74 16.378 6.142 -5.673 1.00 0.00 C ATOM 1074 C TRP A 74 16.278 6.543 -7.140 1.00 0.00 C ATOM 1075 O TRP A 74 16.286 7.729 -7.472 1.00 0.00 O ATOM 1076 CB TRP A 74 15.139 6.621 -4.915 1.00 0.00 C ATOM 1077 CG TRP A 74 13.856 6.094 -5.481 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.792 6.828 -5.924 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.500 4.719 -5.663 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.797 5.993 -6.370 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.207 4.694 -6.222 1.00 0.00 C ATOM 1082 CE3 TRP A 74 14.149 3.507 -5.411 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.553 3.504 -6.530 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.498 2.327 -5.717 1.00 0.00 C ATOM 1085 CH2 TRP A 74 12.211 2.332 -6.273 1.00 0.00 C ATOM 0 H TRP A 74 17.417 7.288 -4.258 1.00 0.00 H new ATOM 0 HA TRP A 74 16.432 5.055 -5.616 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.220 6.316 -3.872 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.113 7.711 -4.928 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.741 7.907 -5.923 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.899 6.291 -6.750 1.00 0.00 H new ATOM 0 HE3 TRP A 74 15.141 3.493 -4.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.561 3.506 -6.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.989 1.385 -5.524 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.730 1.393 -6.503 1.00 0.00 H new ATOM 1096 N VAL A 75 16.184 5.548 -8.017 1.00 0.00 N ATOM 1097 CA VAL A 75 16.081 5.798 -9.449 1.00 0.00 C ATOM 1098 C VAL A 75 14.991 4.939 -10.080 1.00 0.00 C ATOM 1099 O VAL A 75 15.173 3.739 -10.285 1.00 0.00 O ATOM 1100 CB VAL A 75 17.417 5.521 -10.165 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.288 5.784 -11.657 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.530 6.364 -9.560 1.00 0.00 C ATOM 0 H VAL A 75 16.177 4.561 -7.760 1.00 0.00 H new ATOM 0 HA VAL A 75 15.825 6.851 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 75 17.672 4.470 -10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.241 5.583 -12.146 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.521 5.133 -12.076 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.009 6.825 -11.820 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.466 6.156 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.284 7.421 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.638 6.120 -8.503 1.00 0.00 H new ATOM 1112 N VAL A 76 13.858 5.562 -10.388 1.00 0.00 N ATOM 1113 CA VAL A 76 12.738 4.855 -10.997 1.00 0.00 C ATOM 1114 C VAL A 76 13.167 4.145 -12.276 1.00 0.00 C ATOM 1115 O VAL A 76 13.236 4.755 -13.343 1.00 0.00 O ATOM 1116 CB VAL A 76 11.578 5.815 -11.321 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.449 5.073 -12.019 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.077 6.492 -10.053 1.00 0.00 C ATOM 0 H VAL A 76 13.692 6.555 -10.226 1.00 0.00 H new ATOM 0 HA VAL A 76 12.397 4.117 -10.271 1.00 0.00 H new ATOM 0 HB VAL A 76 11.946 6.586 -11.997 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.639 5.768 -12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.818 4.639 -12.948 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.079 4.279 -11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.258 7.167 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.725 5.736 -9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.889 7.059 -9.598 1.00 0.00 H new ATOM 1128 N GLN A 77 13.454 2.853 -12.161 1.00 0.00 N ATOM 1129 CA GLN A 77 13.877 2.059 -13.309 1.00 0.00 C ATOM 1130 C GLN A 77 12.719 1.845 -14.279 1.00 0.00 C ATOM 1131 O GLN A 77 12.820 2.172 -15.462 1.00 0.00 O ATOM 1132 CB GLN A 77 14.427 0.709 -12.848 1.00 0.00 C ATOM 1133 CG GLN A 77 14.891 -0.181 -13.989 1.00 0.00 C ATOM 1134 CD GLN A 77 15.999 -1.130 -13.577 1.00 0.00 C ATOM 1135 OE1 GLN A 77 17.045 -1.201 -14.223 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.775 -1.867 -12.495 1.00 0.00 N ATOM 0 H GLN A 77 13.402 2.333 -11.285 1.00 0.00 H new ATOM 0 HA GLN A 77 14.665 2.606 -13.827 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.262 0.879 -12.169 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.656 0.187 -12.281 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.044 -0.757 -14.362 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.240 0.443 -14.812 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.894 -1.776 -11.990 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.484 -2.524 -12.169 1.00 0.00 H new ATOM 1145 N ARG A 78 11.622 1.295 -13.771 1.00 0.00 N ATOM 1146 CA ARG A 78 10.446 1.036 -14.592 1.00 0.00 C ATOM 1147 C ARG A 78 9.181 1.011 -13.739 1.00 0.00 C ATOM 1148 O ARG A 78 9.243 0.809 -12.526 1.00 0.00 O ATOM 1149 CB ARG A 78 10.599 -0.292 -15.335 1.00 0.00 C ATOM 1150 CG ARG A 78 10.733 -1.494 -14.414 1.00 0.00 C ATOM 1151 CD ARG A 78 10.687 -2.800 -15.191 1.00 0.00 C ATOM 1152 NE ARG A 78 11.823 -2.938 -16.098 1.00 0.00 N ATOM 1153 CZ ARG A 78 13.019 -3.374 -15.717 1.00 0.00 C ATOM 1154 NH1 ARG A 78 13.232 -3.714 -14.453 1.00 0.00 N ATOM 1155 NH2 ARG A 78 14.003 -3.472 -16.601 1.00 0.00 N ATOM 0 H ARG A 78 11.523 1.020 -12.794 1.00 0.00 H new ATOM 0 HA ARG A 78 10.357 1.843 -15.319 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.735 -0.437 -15.984 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.477 -0.239 -15.979 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.672 -1.429 -13.864 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.930 -1.480 -13.677 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.677 -3.637 -14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.760 -2.850 -15.762 1.00 0.00 H new ATOM 0 HE ARG A 78 11.691 -2.686 -17.078 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.477 -3.641 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.151 -4.048 -14.163 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.842 -3.213 -17.574 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.921 -3.807 -16.308 1.00 0.00 H new ATOM 1169 N ILE A 79 8.036 1.218 -14.381 1.00 0.00 N ATOM 1170 CA ILE A 79 6.758 1.219 -13.681 1.00 0.00 C ATOM 1171 C ILE A 79 5.665 0.579 -14.531 1.00 0.00 C ATOM 1172 O ILE A 79 5.650 0.724 -15.753 1.00 0.00 O ATOM 1173 CB ILE A 79 6.325 2.647 -13.299 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.398 3.314 -12.436 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.992 2.619 -12.568 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.332 4.825 -12.452 1.00 0.00 C ATOM 0 H ILE A 79 7.968 1.387 -15.385 1.00 0.00 H new ATOM 0 HA ILE A 79 6.897 0.635 -12.771 1.00 0.00 H new ATOM 0 HB ILE A 79 6.204 3.231 -14.212 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.296 2.965 -11.409 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.381 2.997 -12.784 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.700 3.636 -12.305 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.232 2.179 -13.214 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.087 2.023 -11.661 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.121 5.230 -11.819 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.465 5.184 -13.473 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.362 5.151 -12.076 1.00 0.00 H new ATOM 1188 N GLY A 80 4.751 -0.129 -13.875 1.00 0.00 N ATOM 1189 CA GLY A 80 3.666 -0.779 -14.586 1.00 0.00 C ATOM 1190 C GLY A 80 3.621 -2.273 -14.334 1.00 0.00 C ATOM 1191 O GLY A 80 4.644 -2.893 -14.042 1.00 0.00 O ATOM 0 H GLY A 80 4.743 -0.264 -12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.719 -0.334 -14.282 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.776 -0.597 -15.655 1.00 0.00 H new ATOM 1195 N LYS A 81 2.431 -2.855 -14.445 1.00 0.00 N ATOM 1196 CA LYS A 81 2.255 -4.286 -14.227 1.00 0.00 C ATOM 1197 C LYS A 81 2.930 -5.092 -15.332 1.00 0.00 C ATOM 1198 O LYS A 81 3.278 -4.522 -16.365 1.00 0.00 O ATOM 1199 CB LYS A 81 0.766 -4.633 -14.164 1.00 0.00 C ATOM 1200 CG LYS A 81 0.162 -4.476 -12.779 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.405 -3.082 -12.573 1.00 0.00 C ATOM 1202 CE LYS A 81 -1.759 -2.926 -13.249 1.00 0.00 C ATOM 1203 NZ LYS A 81 -2.875 -3.353 -12.361 1.00 0.00 N ATOM 0 H LYS A 81 1.574 -2.357 -14.685 1.00 0.00 H new ATOM 0 HA LYS A 81 2.723 -4.544 -13.277 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.223 -3.996 -14.862 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.627 -5.661 -14.497 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.627 -5.215 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.923 -4.675 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.505 -2.882 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.290 -2.343 -12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.903 -1.885 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.778 -3.516 -14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.780 -3.231 -12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.752 -4.354 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.873 -2.773 -11.498 1.00 0.00 H new