USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 16 MET CE :methyl -157:sc= -0.212 (180deg=-0.969) USER MOD Single : A 17 SER OG : rot -160:sc= -0.35 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc=0.000412 USER MOD Single : A 26 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.5!) USER MOD Single : A 27 CYS SG : rot -170:sc= -0.398 USER MOD Single : A 30 GLN : amide:sc= -0.0904 X(o=-0.09,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.445 K(o=-0.45,f=-2.6!) USER MOD Single : A 42 SER OG : rot 171:sc= -0.869 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.192) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-1.9) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -160:sc= -0.696 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 1.949 -21.014 -23.896 1.00 0.00 N ATOM 198 CA VAL A 10 1.281 -19.777 -24.283 1.00 0.00 C ATOM 199 C VAL A 10 0.701 -19.063 -23.067 1.00 0.00 C ATOM 200 O VAL A 10 0.360 -19.679 -22.058 1.00 0.00 O ATOM 201 CB VAL A 10 0.152 -20.042 -25.296 1.00 0.00 C ATOM 202 CG1 VAL A 10 0.698 -20.735 -26.535 1.00 0.00 C ATOM 203 CG2 VAL A 10 -0.954 -20.869 -24.657 1.00 0.00 C ATOM 0 HA VAL A 10 2.035 -19.142 -24.749 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.271 -19.085 -25.601 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.114 -20.914 -27.239 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.452 -20.102 -27.004 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.148 -21.686 -26.251 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.744 -21.047 -25.387 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.548 -21.823 -24.322 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.364 -20.330 -23.803 1.00 0.00 H new ATOM 213 N PRO A 11 0.586 -17.730 -23.164 1.00 0.00 N ATOM 214 CA PRO A 11 0.046 -16.901 -22.082 1.00 0.00 C ATOM 215 C PRO A 11 -1.451 -17.115 -21.881 1.00 0.00 C ATOM 216 O PRO A 11 -2.155 -17.542 -22.795 1.00 0.00 O ATOM 217 CB PRO A 11 0.323 -15.473 -22.557 1.00 0.00 C ATOM 218 CG PRO A 11 0.392 -15.574 -24.042 1.00 0.00 C ATOM 219 CD PRO A 11 0.973 -16.929 -24.338 1.00 0.00 C ATOM 0 HA PRO A 11 0.499 -17.140 -21.120 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.467 -14.791 -22.243 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.256 -15.092 -22.142 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.597 -15.468 -24.487 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.015 -14.783 -24.459 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.569 -17.347 -25.260 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.056 -16.885 -24.455 1.00 0.00 H new ATOM 227 N ARG A 12 -1.930 -16.814 -20.678 1.00 0.00 N ATOM 228 CA ARG A 12 -3.343 -16.974 -20.356 1.00 0.00 C ATOM 229 C ARG A 12 -3.652 -16.413 -18.971 1.00 0.00 C ATOM 230 O ARG A 12 -2.755 -16.230 -18.150 1.00 0.00 O ATOM 231 CB ARG A 12 -3.738 -18.450 -20.421 1.00 0.00 C ATOM 232 CG ARG A 12 -3.048 -19.312 -19.377 1.00 0.00 C ATOM 233 CD ARG A 12 -2.876 -20.743 -19.861 1.00 0.00 C ATOM 234 NE ARG A 12 -4.104 -21.275 -20.444 1.00 0.00 N ATOM 235 CZ ARG A 12 -5.158 -21.648 -19.725 1.00 0.00 C ATOM 236 NH1 ARG A 12 -5.132 -21.546 -18.403 1.00 0.00 N ATOM 237 NH2 ARG A 12 -6.240 -22.123 -20.329 1.00 0.00 N ATOM 0 H ARG A 12 -1.360 -16.458 -19.911 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.923 -16.417 -21.092 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.817 -18.534 -20.294 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.503 -18.837 -21.412 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.073 -18.887 -19.140 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.631 -19.306 -18.456 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.077 -20.782 -20.601 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.568 -21.373 -19.027 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.156 -21.365 -21.459 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.302 -21.181 -17.936 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.942 -21.833 -17.853 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.263 -22.202 -21.346 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.048 -22.409 -19.777 1.00 0.00 H new ATOM 251 N GLY A 13 -4.929 -16.142 -18.720 1.00 0.00 N ATOM 252 CA GLY A 13 -5.334 -15.605 -17.434 1.00 0.00 C ATOM 253 C GLY A 13 -4.714 -14.251 -17.150 1.00 0.00 C ATOM 254 O GLY A 13 -3.543 -14.162 -16.781 1.00 0.00 O ATOM 0 H GLY A 13 -5.690 -16.285 -19.384 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.420 -15.517 -17.406 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.051 -16.303 -16.647 1.00 0.00 H new ATOM 258 N SER A 14 -5.500 -13.194 -17.324 1.00 0.00 N ATOM 259 CA SER A 14 -5.020 -11.837 -17.090 1.00 0.00 C ATOM 260 C SER A 14 -6.171 -10.837 -17.137 1.00 0.00 C ATOM 261 O SER A 14 -7.207 -11.094 -17.752 1.00 0.00 O ATOM 262 CB SER A 14 -3.960 -11.462 -18.127 1.00 0.00 C ATOM 263 OG SER A 14 -3.384 -10.201 -17.835 1.00 0.00 O ATOM 0 H SER A 14 -6.472 -13.251 -17.626 1.00 0.00 H new ATOM 0 HA SER A 14 -4.573 -11.803 -16.096 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.182 -12.225 -18.148 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.410 -11.439 -19.119 1.00 0.00 H new ATOM 0 HG SER A 14 -2.709 -9.985 -18.512 1.00 0.00 H new ATOM 269 N HIS A 15 -5.982 -9.695 -16.484 1.00 0.00 N ATOM 270 CA HIS A 15 -7.004 -8.654 -16.452 1.00 0.00 C ATOM 271 C HIS A 15 -7.212 -8.054 -17.839 1.00 0.00 C ATOM 272 O HIS A 15 -8.337 -7.743 -18.229 1.00 0.00 O ATOM 273 CB HIS A 15 -6.613 -7.557 -15.462 1.00 0.00 C ATOM 274 CG HIS A 15 -6.731 -7.973 -14.028 1.00 0.00 C ATOM 275 ND1 HIS A 15 -5.739 -7.754 -13.097 1.00 0.00 N ATOM 276 CD2 HIS A 15 -7.734 -8.597 -13.368 1.00 0.00 C ATOM 277 CE1 HIS A 15 -6.126 -8.227 -11.925 1.00 0.00 C ATOM 278 NE2 HIS A 15 -7.333 -8.744 -12.063 1.00 0.00 N ATOM 0 H HIS A 15 -5.131 -9.467 -15.970 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.940 -9.108 -16.128 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.586 -7.251 -15.659 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.244 -6.685 -15.632 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.675 -8.919 -13.789 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.553 -8.196 -11.010 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.879 -9.182 -11.321 1.00 0.00 H new ATOM 286 N MET A 16 -6.120 -7.894 -18.580 1.00 0.00 N ATOM 287 CA MET A 16 -6.184 -7.332 -19.923 1.00 0.00 C ATOM 288 C MET A 16 -6.134 -8.433 -20.977 1.00 0.00 C ATOM 289 O MET A 16 -5.726 -9.560 -20.692 1.00 0.00 O ATOM 290 CB MET A 16 -5.033 -6.348 -20.143 1.00 0.00 C ATOM 291 CG MET A 16 -4.809 -5.404 -18.972 1.00 0.00 C ATOM 292 SD MET A 16 -6.210 -4.305 -18.688 1.00 0.00 S ATOM 293 CE MET A 16 -6.319 -3.479 -20.273 1.00 0.00 C ATOM 0 H MET A 16 -5.181 -8.146 -18.272 1.00 0.00 H new ATOM 0 HA MET A 16 -7.131 -6.801 -20.022 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.117 -6.909 -20.328 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.234 -5.761 -21.039 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.621 -5.988 -18.071 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.916 -4.807 -19.157 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.828 -2.523 -20.151 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.316 -3.309 -20.664 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.879 -4.102 -20.970 1.00 0.00 H new ATOM 303 N SER A 17 -6.551 -8.101 -22.195 1.00 0.00 N ATOM 304 CA SER A 17 -6.557 -9.064 -23.290 1.00 0.00 C ATOM 305 C SER A 17 -6.107 -8.409 -24.592 1.00 0.00 C ATOM 306 O SER A 17 -6.608 -7.352 -24.975 1.00 0.00 O ATOM 307 CB SER A 17 -7.955 -9.662 -23.463 1.00 0.00 C ATOM 308 OG SER A 17 -8.822 -8.751 -24.117 1.00 0.00 O ATOM 0 H SER A 17 -6.889 -7.173 -22.448 1.00 0.00 H new ATOM 0 HA SER A 17 -5.856 -9.862 -23.044 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.890 -10.585 -24.039 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.366 -9.923 -22.488 1.00 0.00 H new ATOM 0 HG SER A 17 -9.753 -9.001 -23.940 1.00 0.00 H new ATOM 314 N VAL A 18 -5.156 -9.045 -25.269 1.00 0.00 N ATOM 315 CA VAL A 18 -4.637 -8.526 -26.529 1.00 0.00 C ATOM 316 C VAL A 18 -5.492 -8.984 -27.705 1.00 0.00 C ATOM 317 O VAL A 18 -5.585 -8.297 -28.722 1.00 0.00 O ATOM 318 CB VAL A 18 -3.181 -8.972 -26.762 1.00 0.00 C ATOM 319 CG1 VAL A 18 -2.515 -8.093 -27.810 1.00 0.00 C ATOM 320 CG2 VAL A 18 -2.400 -8.944 -25.457 1.00 0.00 C ATOM 0 H VAL A 18 -4.729 -9.920 -24.966 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.670 -7.439 -26.462 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.188 -9.997 -27.133 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.487 -8.423 -27.962 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.063 -8.168 -28.749 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.517 -7.057 -27.471 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.374 -9.262 -25.640 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.400 -7.931 -25.055 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.866 -9.619 -24.739 1.00 0.00 H new ATOM 330 N ASP A 19 -6.115 -10.148 -27.559 1.00 0.00 N ATOM 331 CA ASP A 19 -6.964 -10.698 -28.609 1.00 0.00 C ATOM 332 C ASP A 19 -8.206 -9.836 -28.810 1.00 0.00 C ATOM 333 O ASP A 19 -8.936 -9.999 -29.789 1.00 0.00 O ATOM 334 CB ASP A 19 -7.372 -12.131 -28.267 1.00 0.00 C ATOM 335 CG ASP A 19 -7.928 -12.877 -29.464 1.00 0.00 C ATOM 336 OD1 ASP A 19 -7.256 -12.894 -30.516 1.00 0.00 O ATOM 337 OD2 ASP A 19 -9.036 -13.443 -29.349 1.00 0.00 O ATOM 0 H ASP A 19 -6.048 -10.729 -26.723 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.393 -10.704 -29.538 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.507 -12.668 -27.877 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.120 -12.113 -27.474 1.00 0.00 H new ATOM 342 N ASP A 20 -8.441 -8.919 -27.878 1.00 0.00 N ATOM 343 CA ASP A 20 -9.596 -8.031 -27.952 1.00 0.00 C ATOM 344 C ASP A 20 -9.199 -6.671 -28.517 1.00 0.00 C ATOM 345 O ASP A 20 -9.866 -5.666 -28.267 1.00 0.00 O ATOM 346 CB ASP A 20 -10.224 -7.859 -26.568 1.00 0.00 C ATOM 347 CG ASP A 20 -11.601 -7.228 -26.632 1.00 0.00 C ATOM 348 OD1 ASP A 20 -12.544 -7.906 -27.091 1.00 0.00 O ATOM 349 OD2 ASP A 20 -11.735 -6.056 -26.222 1.00 0.00 O ATOM 0 H ASP A 20 -7.847 -8.771 -27.062 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.329 -8.483 -28.621 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.295 -8.832 -26.081 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.572 -7.241 -25.951 1.00 0.00 H new ATOM 354 N ILE A 21 -8.110 -6.646 -29.278 1.00 0.00 N ATOM 355 CA ILE A 21 -7.625 -5.410 -29.877 1.00 0.00 C ATOM 356 C ILE A 21 -8.067 -5.294 -31.332 1.00 0.00 C ATOM 357 O ILE A 21 -8.101 -6.285 -32.062 1.00 0.00 O ATOM 358 CB ILE A 21 -6.089 -5.316 -29.811 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.622 -5.281 -28.354 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.601 -4.085 -30.559 1.00 0.00 C ATOM 361 CD1 ILE A 21 -4.119 -5.361 -28.200 1.00 0.00 C ATOM 0 H ILE A 21 -7.547 -7.469 -29.494 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.056 -4.591 -29.301 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.664 -6.199 -30.289 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.979 -4.362 -27.888 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.079 -6.110 -27.814 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.514 -4.033 -30.503 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.908 -4.148 -31.603 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.031 -3.191 -30.108 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.860 -5.331 -27.142 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.758 -6.292 -28.636 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.655 -4.517 -28.711 1.00 0.00 H new ATOM 373 N ILE A 22 -8.405 -4.077 -31.747 1.00 0.00 N ATOM 374 CA ILE A 22 -8.842 -3.831 -33.116 1.00 0.00 C ATOM 375 C ILE A 22 -7.658 -3.513 -34.022 1.00 0.00 C ATOM 376 O ILE A 22 -6.503 -3.591 -33.602 1.00 0.00 O ATOM 377 CB ILE A 22 -9.853 -2.672 -33.184 1.00 0.00 C ATOM 378 CG1 ILE A 22 -9.171 -1.350 -32.823 1.00 0.00 C ATOM 379 CG2 ILE A 22 -11.029 -2.939 -32.256 1.00 0.00 C ATOM 380 CD1 ILE A 22 -10.100 -0.157 -32.874 1.00 0.00 C ATOM 0 H ILE A 22 -8.385 -3.247 -31.155 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.326 -4.744 -33.462 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.231 -2.598 -34.204 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.750 -1.430 -31.821 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.339 -1.182 -33.506 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.735 -2.111 -32.315 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.526 -3.862 -32.555 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.669 -3.036 -31.232 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.549 0.745 -32.607 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.502 -0.052 -33.882 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.919 -0.304 -32.170 1.00 0.00 H new ATOM 392 N ILE A 23 -7.953 -3.152 -35.266 1.00 0.00 N ATOM 393 CA ILE A 23 -6.913 -2.818 -36.232 1.00 0.00 C ATOM 394 C ILE A 23 -6.724 -1.309 -36.337 1.00 0.00 C ATOM 395 O ILE A 23 -7.665 -0.539 -36.141 1.00 0.00 O ATOM 396 CB ILE A 23 -7.238 -3.382 -37.627 1.00 0.00 C ATOM 397 CG1 ILE A 23 -7.625 -4.859 -37.527 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.050 -3.203 -38.561 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.874 -5.511 -38.869 1.00 0.00 C ATOM 0 H ILE A 23 -8.904 -3.083 -35.629 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.990 -3.273 -35.872 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.084 -2.831 -38.037 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.832 -5.400 -37.011 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.523 -4.950 -36.916 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.295 -3.607 -39.543 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.816 -2.142 -38.653 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.187 -3.732 -38.157 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.144 -6.557 -38.721 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.688 -4.995 -39.379 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.970 -5.452 -39.476 1.00 0.00 H new ATOM 411 N LYS A 24 -5.502 -0.891 -36.649 1.00 0.00 N ATOM 412 CA LYS A 24 -5.189 0.527 -36.784 1.00 0.00 C ATOM 413 C LYS A 24 -5.335 1.246 -35.447 1.00 0.00 C ATOM 414 O LYS A 24 -5.960 2.304 -35.366 1.00 0.00 O ATOM 415 CB LYS A 24 -6.102 1.175 -37.827 1.00 0.00 C ATOM 416 CG LYS A 24 -6.223 0.374 -39.112 1.00 0.00 C ATOM 417 CD LYS A 24 -6.570 1.263 -40.293 1.00 0.00 C ATOM 418 CE LYS A 24 -7.318 0.493 -41.370 1.00 0.00 C ATOM 419 NZ LYS A 24 -6.392 -0.094 -42.377 1.00 0.00 N ATOM 0 H LYS A 24 -4.712 -1.514 -36.813 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.153 0.615 -37.112 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.095 1.307 -37.397 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.722 2.169 -38.063 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.284 -0.144 -39.309 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.990 -0.391 -38.994 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.180 2.100 -39.953 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.657 1.684 -40.713 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.903 -0.302 -40.908 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.023 1.158 -41.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.941 -0.611 -43.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.852 0.666 -42.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.736 -0.749 -41.905 1.00 0.00 H new ATOM 433 N CYS A 25 -4.755 0.667 -34.402 1.00 0.00 N ATOM 434 CA CYS A 25 -4.821 1.254 -33.068 1.00 0.00 C ATOM 435 C CYS A 25 -3.422 1.525 -32.524 1.00 0.00 C ATOM 436 O CYS A 25 -2.433 1.008 -33.043 1.00 0.00 O ATOM 437 CB CYS A 25 -5.580 0.327 -32.118 1.00 0.00 C ATOM 438 SG CYS A 25 -6.438 1.186 -30.778 1.00 0.00 S ATOM 0 H CYS A 25 -4.234 -0.208 -34.452 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.353 2.203 -33.141 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.308 -0.247 -32.692 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.879 -0.387 -31.687 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.052 0.318 -30.030 1.00 0.00 H new ATOM 444 N GLN A 26 -3.348 2.341 -31.478 1.00 0.00 N ATOM 445 CA GLN A 26 -2.070 2.683 -30.865 1.00 0.00 C ATOM 446 C GLN A 26 -1.725 1.709 -29.744 1.00 0.00 C ATOM 447 O GLN A 26 -2.509 1.516 -28.813 1.00 0.00 O ATOM 448 CB GLN A 26 -2.107 4.113 -30.322 1.00 0.00 C ATOM 449 CG GLN A 26 -3.136 4.318 -29.222 1.00 0.00 C ATOM 450 CD GLN A 26 -3.719 5.718 -29.223 1.00 0.00 C ATOM 451 OE1 GLN A 26 -3.240 6.602 -29.933 1.00 0.00 O ATOM 452 NE2 GLN A 26 -4.760 5.926 -28.424 1.00 0.00 N ATOM 0 H GLN A 26 -4.158 2.778 -31.037 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.298 2.613 -31.632 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.120 4.373 -29.939 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.322 4.799 -31.142 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.941 3.593 -29.343 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.673 4.122 -28.255 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.125 5.164 -27.852 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.195 6.848 -28.382 1.00 0.00 H new ATOM 461 N CYS A 27 -0.550 1.097 -29.839 1.00 0.00 N ATOM 462 CA CYS A 27 -0.103 0.140 -28.833 1.00 0.00 C ATOM 463 C CYS A 27 1.299 0.485 -28.341 1.00 0.00 C ATOM 464 O CYS A 27 2.239 0.582 -29.131 1.00 0.00 O ATOM 465 CB CYS A 27 -0.121 -1.278 -29.403 1.00 0.00 C ATOM 466 SG CYS A 27 -1.665 -2.172 -29.108 1.00 0.00 S ATOM 0 H CYS A 27 0.110 1.246 -30.602 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.789 0.192 -27.988 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.058 -1.229 -30.477 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.703 -1.844 -28.968 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.513 -3.420 -29.437 1.00 0.00 H new ATOM 472 N TRP A 28 1.432 0.671 -27.033 1.00 0.00 N ATOM 473 CA TRP A 28 2.720 1.007 -26.436 1.00 0.00 C ATOM 474 C TRP A 28 3.697 -0.157 -26.557 1.00 0.00 C ATOM 475 O TRP A 28 3.406 -1.272 -26.121 1.00 0.00 O ATOM 476 CB TRP A 28 2.540 1.387 -24.965 1.00 0.00 C ATOM 477 CG TRP A 28 2.208 2.835 -24.762 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.030 3.349 -24.301 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.065 3.953 -25.014 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.102 4.720 -24.253 1.00 0.00 N ATOM 481 CE2 TRP A 28 2.341 5.116 -24.684 1.00 0.00 C ATOM 482 CE3 TRP A 28 4.374 4.087 -25.485 1.00 0.00 C ATOM 483 CZ2 TRP A 28 2.883 6.392 -24.811 1.00 0.00 C ATOM 484 CZ3 TRP A 28 4.911 5.354 -25.611 1.00 0.00 C ATOM 485 CH2 TRP A 28 4.167 6.493 -25.275 1.00 0.00 C ATOM 0 H TRP A 28 0.665 0.595 -26.365 1.00 0.00 H new ATOM 0 HA TRP A 28 3.131 1.859 -26.977 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.747 0.776 -24.534 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.455 1.152 -24.422 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.168 2.764 -24.016 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.354 5.342 -23.946 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.956 3.215 -25.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.311 7.271 -24.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.921 5.468 -25.975 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.615 7.469 -25.384 1.00 0.00 H new ATOM 496 N VAL A 29 4.856 0.107 -27.151 1.00 0.00 N ATOM 497 CA VAL A 29 5.876 -0.919 -27.327 1.00 0.00 C ATOM 498 C VAL A 29 6.965 -0.800 -26.266 1.00 0.00 C ATOM 499 O VAL A 29 7.731 0.162 -26.255 1.00 0.00 O ATOM 500 CB VAL A 29 6.524 -0.833 -28.722 1.00 0.00 C ATOM 501 CG1 VAL A 29 7.597 -1.899 -28.880 1.00 0.00 C ATOM 502 CG2 VAL A 29 5.467 -0.963 -29.808 1.00 0.00 C ATOM 0 H VAL A 29 5.112 1.023 -27.519 1.00 0.00 H new ATOM 0 HA VAL A 29 5.376 -1.882 -27.225 1.00 0.00 H new ATOM 0 HB VAL A 29 6.999 0.143 -28.824 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.043 -1.822 -29.872 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.368 -1.754 -28.123 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.150 -2.886 -28.759 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.942 -0.900 -30.787 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.962 -1.924 -29.711 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.739 -0.158 -29.705 1.00 0.00 H new ATOM 512 N GLN A 30 7.025 -1.786 -25.376 1.00 0.00 N ATOM 513 CA GLN A 30 8.020 -1.791 -24.310 1.00 0.00 C ATOM 514 C GLN A 30 9.241 -2.613 -24.709 1.00 0.00 C ATOM 515 O GLN A 30 9.222 -3.843 -24.651 1.00 0.00 O ATOM 516 CB GLN A 30 7.414 -2.350 -23.021 1.00 0.00 C ATOM 517 CG GLN A 30 8.344 -2.257 -21.822 1.00 0.00 C ATOM 518 CD GLN A 30 7.597 -2.270 -20.503 1.00 0.00 C ATOM 519 OE1 GLN A 30 7.756 -3.186 -19.695 1.00 0.00 O ATOM 520 NE2 GLN A 30 6.777 -1.251 -20.276 1.00 0.00 N ATOM 0 H GLN A 30 6.397 -2.590 -25.372 1.00 0.00 H new ATOM 0 HA GLN A 30 8.337 -0.762 -24.138 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.493 -1.811 -22.799 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.142 -3.394 -23.180 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.046 -3.090 -21.846 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.932 -1.342 -21.893 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.675 -0.513 -20.973 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.249 -1.206 -19.405 1.00 0.00 H new ATOM 529 N LYS A 31 10.303 -1.926 -25.115 1.00 0.00 N ATOM 530 CA LYS A 31 11.535 -2.591 -25.524 1.00 0.00 C ATOM 531 C LYS A 31 12.336 -3.047 -24.309 1.00 0.00 C ATOM 532 O LYS A 31 12.078 -2.616 -23.186 1.00 0.00 O ATOM 533 CB LYS A 31 12.384 -1.653 -26.385 1.00 0.00 C ATOM 534 CG LYS A 31 13.078 -2.350 -27.542 1.00 0.00 C ATOM 535 CD LYS A 31 12.075 -2.932 -28.525 1.00 0.00 C ATOM 536 CE LYS A 31 12.726 -3.249 -29.863 1.00 0.00 C ATOM 537 NZ LYS A 31 13.732 -4.340 -29.745 1.00 0.00 N ATOM 0 H LYS A 31 10.336 -0.908 -25.170 1.00 0.00 H new ATOM 0 HA LYS A 31 11.267 -3.469 -26.111 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.748 -0.860 -26.778 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.136 -1.176 -25.756 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.726 -1.642 -28.058 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.717 -3.146 -27.158 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.639 -3.839 -28.107 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.259 -2.226 -28.675 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.959 -3.539 -30.581 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.207 -2.352 -30.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.153 -4.526 -30.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.478 -4.054 -29.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.269 -5.203 -29.396 1.00 0.00 H new ATOM 551 N ASN A 32 13.310 -3.921 -24.542 1.00 0.00 N ATOM 552 CA ASN A 32 14.149 -4.435 -23.466 1.00 0.00 C ATOM 553 C ASN A 32 14.729 -3.293 -22.636 1.00 0.00 C ATOM 554 O ASN A 32 14.521 -3.224 -21.425 1.00 0.00 O ATOM 555 CB ASN A 32 15.281 -5.291 -24.038 1.00 0.00 C ATOM 556 CG ASN A 32 16.137 -5.917 -22.954 1.00 0.00 C ATOM 557 OD1 ASN A 32 15.936 -5.665 -21.766 1.00 0.00 O ATOM 558 ND2 ASN A 32 17.099 -6.737 -23.360 1.00 0.00 N ATOM 0 H ASN A 32 13.537 -4.288 -25.466 1.00 0.00 H new ATOM 0 HA ASN A 32 13.528 -5.053 -22.818 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.858 -6.078 -24.663 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.908 -4.675 -24.682 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.708 -7.187 -22.676 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.229 -6.917 -24.356 1.00 0.00 H new ATOM 565 N ASP A 33 15.458 -2.400 -23.297 1.00 0.00 N ATOM 566 CA ASP A 33 16.067 -1.260 -22.621 1.00 0.00 C ATOM 567 C ASP A 33 15.602 0.052 -23.245 1.00 0.00 C ATOM 568 O ASP A 33 16.244 1.090 -23.079 1.00 0.00 O ATOM 569 CB ASP A 33 17.592 -1.358 -22.685 1.00 0.00 C ATOM 570 CG ASP A 33 18.126 -2.571 -21.949 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.324 -3.266 -21.290 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.345 -2.826 -22.033 1.00 0.00 O ATOM 0 H ASP A 33 15.641 -2.443 -24.299 1.00 0.00 H new ATOM 0 HA ASP A 33 15.753 -1.276 -21.577 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.907 -1.402 -23.728 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.029 -0.456 -22.258 1.00 0.00 H new ATOM 577 N GLU A 34 14.484 -0.002 -23.962 1.00 0.00 N ATOM 578 CA GLU A 34 13.936 1.183 -24.611 1.00 0.00 C ATOM 579 C GLU A 34 12.414 1.210 -24.499 1.00 0.00 C ATOM 580 O GLU A 34 11.789 0.205 -24.160 1.00 0.00 O ATOM 581 CB GLU A 34 14.350 1.223 -26.083 1.00 0.00 C ATOM 582 CG GLU A 34 15.718 1.844 -26.314 1.00 0.00 C ATOM 583 CD GLU A 34 15.659 3.354 -26.440 1.00 0.00 C ATOM 584 OE1 GLU A 34 14.974 3.845 -27.362 1.00 0.00 O ATOM 585 OE2 GLU A 34 16.297 4.045 -25.618 1.00 0.00 O ATOM 0 H GLU A 34 13.941 -0.853 -24.108 1.00 0.00 H new ATOM 0 HA GLU A 34 14.336 2.061 -24.104 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.350 0.208 -26.480 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.605 1.785 -26.646 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.378 1.577 -25.488 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.155 1.424 -27.220 1.00 0.00 H new ATOM 592 N GLU A 35 11.825 2.367 -24.785 1.00 0.00 N ATOM 593 CA GLU A 35 10.377 2.524 -24.714 1.00 0.00 C ATOM 594 C GLU A 35 9.866 3.375 -25.873 1.00 0.00 C ATOM 595 O GLU A 35 10.214 4.549 -25.997 1.00 0.00 O ATOM 596 CB GLU A 35 9.976 3.163 -23.383 1.00 0.00 C ATOM 597 CG GLU A 35 10.248 2.279 -22.178 1.00 0.00 C ATOM 598 CD GLU A 35 11.704 2.297 -21.757 1.00 0.00 C ATOM 599 OE1 GLU A 35 12.395 3.295 -22.052 1.00 0.00 O ATOM 600 OE2 GLU A 35 12.154 1.313 -21.133 1.00 0.00 O ATOM 0 H GLU A 35 12.328 3.208 -25.068 1.00 0.00 H new ATOM 0 HA GLU A 35 9.925 1.534 -24.784 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.516 4.102 -23.263 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.914 3.407 -23.412 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.629 2.608 -21.344 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.953 1.255 -22.409 1.00 0.00 H new ATOM 607 N ARG A 36 9.038 2.773 -26.721 1.00 0.00 N ATOM 608 CA ARG A 36 8.480 3.473 -27.871 1.00 0.00 C ATOM 609 C ARG A 36 7.016 3.095 -28.080 1.00 0.00 C ATOM 610 O ARG A 36 6.438 2.348 -27.289 1.00 0.00 O ATOM 611 CB ARG A 36 9.285 3.152 -29.131 1.00 0.00 C ATOM 612 CG ARG A 36 9.585 1.671 -29.301 1.00 0.00 C ATOM 613 CD ARG A 36 10.931 1.303 -28.697 1.00 0.00 C ATOM 614 NE ARG A 36 12.015 1.408 -29.670 1.00 0.00 N ATOM 615 CZ ARG A 36 12.236 0.510 -30.624 1.00 0.00 C ATOM 616 NH1 ARG A 36 11.451 -0.553 -30.733 1.00 0.00 N ATOM 617 NH2 ARG A 36 13.243 0.676 -31.472 1.00 0.00 N ATOM 0 H ARG A 36 8.739 1.802 -26.633 1.00 0.00 H new ATOM 0 HA ARG A 36 8.537 4.544 -27.675 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.735 3.505 -30.003 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.225 3.704 -29.102 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.799 1.083 -28.827 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.579 1.417 -30.361 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.139 1.957 -27.850 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.888 0.285 -28.310 1.00 0.00 H new ATOM 0 HE ARG A 36 12.636 2.215 -29.614 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.675 -0.683 -30.084 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.623 -1.241 -31.466 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.848 1.493 -31.392 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.412 -0.014 -32.204 1.00 0.00 H new ATOM 631 N LEU A 37 6.422 3.617 -29.148 1.00 0.00 N ATOM 632 CA LEU A 37 5.026 3.335 -29.461 1.00 0.00 C ATOM 633 C LEU A 37 4.874 2.874 -30.907 1.00 0.00 C ATOM 634 O LEU A 37 5.568 3.361 -31.800 1.00 0.00 O ATOM 635 CB LEU A 37 4.167 4.577 -29.216 1.00 0.00 C ATOM 636 CG LEU A 37 2.774 4.564 -29.846 1.00 0.00 C ATOM 637 CD1 LEU A 37 1.922 3.462 -29.236 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.099 5.918 -29.676 1.00 0.00 C ATOM 0 H LEU A 37 6.886 4.238 -29.811 1.00 0.00 H new ATOM 0 HA LEU A 37 4.688 2.532 -28.806 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.056 4.711 -28.140 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.706 5.447 -29.592 1.00 0.00 H new ATOM 0 HG LEU A 37 2.881 4.364 -30.912 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.934 3.468 -29.697 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.397 2.496 -29.410 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.823 3.630 -28.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.109 5.890 -30.130 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.005 6.147 -28.614 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.699 6.687 -30.161 1.00 0.00 H new ATOM 650 N ALA A 38 3.961 1.935 -31.131 1.00 0.00 N ATOM 651 CA ALA A 38 3.715 1.412 -32.469 1.00 0.00 C ATOM 652 C ALA A 38 2.224 1.198 -32.710 1.00 0.00 C ATOM 653 O ALA A 38 1.459 0.989 -31.769 1.00 0.00 O ATOM 654 CB ALA A 38 4.478 0.112 -32.676 1.00 0.00 C ATOM 0 H ALA A 38 3.379 1.521 -30.403 1.00 0.00 H new ATOM 0 HA ALA A 38 4.070 2.147 -33.191 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.285 -0.267 -33.679 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.546 0.294 -32.556 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.150 -0.623 -31.941 1.00 0.00 H new ATOM 660 N GLU A 39 1.820 1.251 -33.975 1.00 0.00 N ATOM 661 CA GLU A 39 0.420 1.064 -34.337 1.00 0.00 C ATOM 662 C GLU A 39 0.173 -0.356 -34.839 1.00 0.00 C ATOM 663 O GLU A 39 1.110 -1.073 -35.190 1.00 0.00 O ATOM 664 CB GLU A 39 0.008 2.074 -35.410 1.00 0.00 C ATOM 665 CG GLU A 39 -1.429 2.550 -35.278 1.00 0.00 C ATOM 666 CD GLU A 39 -1.751 3.700 -36.213 1.00 0.00 C ATOM 667 OE1 GLU A 39 -2.146 3.432 -37.367 1.00 0.00 O ATOM 668 OE2 GLU A 39 -1.608 4.866 -35.791 1.00 0.00 O ATOM 0 H GLU A 39 2.441 1.422 -34.766 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.184 1.226 -33.444 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.673 2.936 -35.360 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.144 1.623 -36.393 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.103 1.719 -35.485 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.612 2.861 -34.249 1.00 0.00 H new ATOM 675 N ILE A 40 -1.094 -0.755 -34.867 1.00 0.00 N ATOM 676 CA ILE A 40 -1.465 -2.088 -35.326 1.00 0.00 C ATOM 677 C ILE A 40 -1.958 -2.056 -36.768 1.00 0.00 C ATOM 678 O ILE A 40 -2.831 -1.260 -37.120 1.00 0.00 O ATOM 679 CB ILE A 40 -2.558 -2.706 -34.435 1.00 0.00 C ATOM 680 CG1 ILE A 40 -2.185 -2.562 -32.958 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.769 -4.169 -34.793 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.938 -3.327 -32.573 1.00 0.00 C ATOM 0 H ILE A 40 -1.881 -0.174 -34.577 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.567 -2.703 -35.266 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.492 -2.171 -34.608 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.039 -1.506 -32.730 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.018 -2.908 -32.346 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.545 -4.592 -34.154 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.075 -4.248 -35.836 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.839 -4.718 -34.645 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.733 -3.179 -31.513 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.087 -4.389 -32.769 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.093 -2.965 -33.159 1.00 0.00 H new ATOM 694 N LEU A 41 -1.396 -2.926 -37.600 1.00 0.00 N ATOM 695 CA LEU A 41 -1.781 -3.000 -39.005 1.00 0.00 C ATOM 696 C LEU A 41 -2.562 -4.278 -39.290 1.00 0.00 C ATOM 697 O LEU A 41 -3.653 -4.237 -39.859 1.00 0.00 O ATOM 698 CB LEU A 41 -0.540 -2.938 -39.897 1.00 0.00 C ATOM 699 CG LEU A 41 0.160 -1.581 -39.981 1.00 0.00 C ATOM 700 CD1 LEU A 41 1.350 -1.651 -40.926 1.00 0.00 C ATOM 701 CD2 LEU A 41 -0.816 -0.504 -40.428 1.00 0.00 C ATOM 0 H LEU A 41 -0.672 -3.590 -37.326 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.424 -2.148 -39.225 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.179 -3.673 -39.536 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.826 -3.240 -40.905 1.00 0.00 H new ATOM 0 HG LEU A 41 0.526 -1.321 -38.988 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.835 -0.676 -40.973 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.061 -2.393 -40.562 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.008 -1.934 -41.921 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.300 0.455 -40.482 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.213 -0.758 -41.411 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.635 -0.435 -39.712 1.00 0.00 H new ATOM 713 N SER A 42 -1.999 -5.413 -38.887 1.00 0.00 N ATOM 714 CA SER A 42 -2.642 -6.704 -39.100 1.00 0.00 C ATOM 715 C SER A 42 -2.519 -7.583 -37.859 1.00 0.00 C ATOM 716 O SER A 42 -1.774 -7.266 -36.932 1.00 0.00 O ATOM 717 CB SER A 42 -2.023 -7.413 -40.306 1.00 0.00 C ATOM 718 OG SER A 42 -0.653 -7.081 -40.444 1.00 0.00 O ATOM 0 H SER A 42 -1.098 -5.464 -38.411 1.00 0.00 H new ATOM 0 HA SER A 42 -3.700 -6.528 -39.295 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.129 -8.492 -40.192 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.561 -7.134 -41.212 1.00 0.00 H new ATOM 0 HG SER A 42 -0.245 -7.653 -41.127 1.00 0.00 H new ATOM 724 N ILE A 43 -3.255 -8.690 -37.851 1.00 0.00 N ATOM 725 CA ILE A 43 -3.228 -9.616 -36.726 1.00 0.00 C ATOM 726 C ILE A 43 -3.258 -11.063 -37.205 1.00 0.00 C ATOM 727 O ILE A 43 -3.978 -11.402 -38.143 1.00 0.00 O ATOM 728 CB ILE A 43 -4.413 -9.378 -35.772 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.549 -7.887 -35.455 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.234 -10.182 -34.493 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.730 -7.564 -34.566 1.00 0.00 C ATOM 0 H ILE A 43 -3.877 -8.967 -38.611 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.298 -9.433 -36.189 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.327 -9.712 -36.263 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.635 -7.542 -34.971 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.645 -7.332 -36.389 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.080 -10.003 -33.829 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.181 -11.243 -34.735 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.313 -9.877 -33.997 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.765 -6.490 -34.383 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.651 -7.878 -35.056 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.626 -8.091 -33.617 1.00 0.00 H new ATOM 743 N ASN A 44 -2.472 -11.913 -36.552 1.00 0.00 N ATOM 744 CA ASN A 44 -2.410 -13.326 -36.910 1.00 0.00 C ATOM 745 C ASN A 44 -3.256 -14.166 -35.959 1.00 0.00 C ATOM 746 O ASN A 44 -3.396 -13.839 -34.779 1.00 0.00 O ATOM 747 CB ASN A 44 -0.960 -13.815 -36.888 1.00 0.00 C ATOM 748 CG ASN A 44 -0.460 -14.204 -38.266 1.00 0.00 C ATOM 749 OD1 ASN A 44 -0.958 -15.151 -38.875 1.00 0.00 O ATOM 750 ND2 ASN A 44 0.529 -13.471 -38.765 1.00 0.00 N ATOM 0 H ASN A 44 -1.869 -11.648 -35.773 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.810 -13.438 -37.918 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.321 -13.031 -36.481 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.879 -14.672 -36.220 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.906 -13.684 -39.688 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.911 -12.695 -38.225 1.00 0.00 H new ATOM 757 N THR A 45 -3.820 -15.252 -36.479 1.00 0.00 N ATOM 758 CA THR A 45 -4.653 -16.139 -35.677 1.00 0.00 C ATOM 759 C THR A 45 -4.384 -17.601 -36.016 1.00 0.00 C ATOM 760 O THR A 45 -5.248 -18.459 -35.834 1.00 0.00 O ATOM 761 CB THR A 45 -6.151 -15.843 -35.885 1.00 0.00 C ATOM 762 OG1 THR A 45 -6.445 -15.766 -37.284 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.544 -14.540 -35.206 1.00 0.00 C ATOM 0 H THR A 45 -3.715 -15.538 -37.452 1.00 0.00 H new ATOM 0 HA THR A 45 -4.395 -15.957 -34.634 1.00 0.00 H new ATOM 0 HB THR A 45 -6.725 -16.655 -35.438 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.399 -15.579 -37.408 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.606 -14.352 -35.366 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.346 -14.613 -34.137 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.963 -13.720 -35.628 1.00 0.00 H new ATOM 771 N ARG A 46 -3.181 -17.878 -36.509 1.00 0.00 N ATOM 772 CA ARG A 46 -2.799 -19.236 -36.873 1.00 0.00 C ATOM 773 C ARG A 46 -2.417 -20.044 -35.636 1.00 0.00 C ATOM 774 O ARG A 46 -2.938 -21.136 -35.409 1.00 0.00 O ATOM 775 CB ARG A 46 -1.631 -19.213 -37.861 1.00 0.00 C ATOM 776 CG ARG A 46 -1.325 -20.569 -38.476 1.00 0.00 C ATOM 777 CD ARG A 46 0.032 -20.576 -39.162 1.00 0.00 C ATOM 778 NE ARG A 46 1.119 -20.840 -38.223 1.00 0.00 N ATOM 779 CZ ARG A 46 2.402 -20.666 -38.517 1.00 0.00 C ATOM 780 NH1 ARG A 46 2.757 -20.230 -39.718 1.00 0.00 N ATOM 781 NH2 ARG A 46 3.334 -20.927 -37.609 1.00 0.00 N ATOM 0 H ARG A 46 -2.455 -17.179 -36.665 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.657 -19.713 -37.346 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.855 -18.504 -38.658 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.741 -18.847 -37.349 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.346 -21.335 -37.700 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.100 -20.826 -39.198 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.038 -21.334 -39.946 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.198 -19.614 -39.647 1.00 0.00 H new ATOM 0 HE ARG A 46 0.879 -21.176 -37.290 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.044 -20.027 -40.418 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.743 -20.097 -39.941 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.065 -21.262 -36.684 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.319 -20.793 -37.836 1.00 0.00 H new ATOM 795 N LYS A 47 -1.503 -19.500 -34.840 1.00 0.00 N ATOM 796 CA LYS A 47 -1.051 -20.169 -33.625 1.00 0.00 C ATOM 797 C LYS A 47 -1.107 -19.222 -32.430 1.00 0.00 C ATOM 798 O LYS A 47 -1.067 -18.003 -32.590 1.00 0.00 O ATOM 799 CB LYS A 47 0.376 -20.692 -33.808 1.00 0.00 C ATOM 800 CG LYS A 47 0.449 -22.005 -34.568 1.00 0.00 C ATOM 801 CD LYS A 47 1.845 -22.603 -34.514 1.00 0.00 C ATOM 802 CE LYS A 47 2.066 -23.385 -33.228 1.00 0.00 C ATOM 803 NZ LYS A 47 3.456 -23.911 -33.131 1.00 0.00 N ATOM 0 H LYS A 47 -1.060 -18.598 -35.014 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.718 -21.009 -33.432 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.964 -19.942 -34.337 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.835 -20.823 -32.828 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.267 -22.711 -34.147 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.162 -21.842 -35.607 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.994 -23.260 -35.371 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.586 -21.807 -34.589 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.860 -22.742 -32.372 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.360 -24.214 -33.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.567 -24.438 -32.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.644 -24.545 -33.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.129 -23.119 -33.150 1.00 0.00 H new ATOM 817 N ALA A 48 -1.199 -19.793 -31.234 1.00 0.00 N ATOM 818 CA ALA A 48 -1.258 -19.000 -30.012 1.00 0.00 C ATOM 819 C ALA A 48 0.088 -18.998 -29.294 1.00 0.00 C ATOM 820 O ALA A 48 0.849 -19.964 -29.350 1.00 0.00 O ATOM 821 CB ALA A 48 -2.349 -19.527 -29.092 1.00 0.00 C ATOM 0 H ALA A 48 -1.234 -20.801 -31.085 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.496 -17.972 -30.286 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.381 -18.925 -28.184 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.312 -19.470 -29.600 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.137 -20.564 -28.833 1.00 0.00 H new ATOM 827 N PRO A 49 0.389 -17.889 -28.603 1.00 0.00 N ATOM 828 CA PRO A 49 -0.510 -16.733 -28.529 1.00 0.00 C ATOM 829 C PRO A 49 -0.614 -15.994 -29.859 1.00 0.00 C ATOM 830 O PRO A 49 0.177 -16.207 -30.778 1.00 0.00 O ATOM 831 CB PRO A 49 0.145 -15.841 -27.472 1.00 0.00 C ATOM 832 CG PRO A 49 1.588 -16.212 -27.504 1.00 0.00 C ATOM 833 CD PRO A 49 1.631 -17.677 -27.840 1.00 0.00 C ATOM 0 HA PRO A 49 -1.531 -17.026 -28.286 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.003 -14.785 -27.702 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.286 -16.014 -26.486 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.126 -15.625 -28.249 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.062 -16.018 -26.542 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.513 -17.928 -28.430 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.661 -18.294 -26.942 1.00 0.00 H new ATOM 841 N PRO A 50 -1.612 -15.105 -29.966 1.00 0.00 N ATOM 842 CA PRO A 50 -1.842 -14.315 -31.180 1.00 0.00 C ATOM 843 C PRO A 50 -0.755 -13.270 -31.406 1.00 0.00 C ATOM 844 O PRO A 50 -0.167 -12.754 -30.456 1.00 0.00 O ATOM 845 CB PRO A 50 -3.188 -13.637 -30.912 1.00 0.00 C ATOM 846 CG PRO A 50 -3.291 -13.573 -29.427 1.00 0.00 C ATOM 847 CD PRO A 50 -2.592 -14.800 -28.910 1.00 0.00 C ATOM 0 HA PRO A 50 -1.832 -14.934 -32.077 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.225 -12.642 -31.355 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.011 -14.208 -31.342 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.824 -12.666 -29.042 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.333 -13.554 -29.109 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.106 -14.612 -27.953 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.288 -15.625 -28.757 1.00 0.00 H new ATOM 855 N LYS A 51 -0.492 -12.963 -32.672 1.00 0.00 N ATOM 856 CA LYS A 51 0.524 -11.978 -33.025 1.00 0.00 C ATOM 857 C LYS A 51 -0.114 -10.730 -33.628 1.00 0.00 C ATOM 858 O LYS A 51 -1.253 -10.767 -34.094 1.00 0.00 O ATOM 859 CB LYS A 51 1.526 -12.579 -34.013 1.00 0.00 C ATOM 860 CG LYS A 51 2.172 -13.861 -33.518 1.00 0.00 C ATOM 861 CD LYS A 51 2.227 -14.916 -34.611 1.00 0.00 C ATOM 862 CE LYS A 51 0.946 -15.735 -34.659 1.00 0.00 C ATOM 863 NZ LYS A 51 1.129 -17.087 -34.064 1.00 0.00 N ATOM 0 H LYS A 51 -0.968 -13.382 -33.471 1.00 0.00 H new ATOM 0 HA LYS A 51 1.049 -11.692 -32.113 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.018 -12.779 -34.957 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.305 -11.845 -34.219 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.181 -13.648 -33.165 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.611 -14.247 -32.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.389 -14.434 -35.575 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.076 -15.577 -34.438 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.157 -15.207 -34.124 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.618 -15.835 -35.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.230 -17.409 -33.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.429 -17.754 -34.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.855 -17.044 -33.321 1.00 0.00 H new ATOM 877 N PHE A 52 0.627 -9.628 -33.617 1.00 0.00 N ATOM 878 CA PHE A 52 0.134 -8.369 -34.164 1.00 0.00 C ATOM 879 C PHE A 52 1.225 -7.654 -34.954 1.00 0.00 C ATOM 880 O PHE A 52 2.404 -7.721 -34.606 1.00 0.00 O ATOM 881 CB PHE A 52 -0.373 -7.464 -33.039 1.00 0.00 C ATOM 882 CG PHE A 52 -1.526 -8.048 -32.273 1.00 0.00 C ATOM 883 CD1 PHE A 52 -1.318 -9.047 -31.336 1.00 0.00 C ATOM 884 CD2 PHE A 52 -2.818 -7.596 -32.490 1.00 0.00 C ATOM 885 CE1 PHE A 52 -2.377 -9.586 -30.631 1.00 0.00 C ATOM 886 CE2 PHE A 52 -3.881 -8.132 -31.787 1.00 0.00 C ATOM 887 CZ PHE A 52 -3.660 -9.127 -30.856 1.00 0.00 C ATOM 0 H PHE A 52 1.572 -9.581 -33.235 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.691 -8.594 -34.840 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.446 -7.262 -32.349 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.676 -6.507 -33.463 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.317 -9.409 -31.155 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.996 -6.817 -33.216 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.202 -10.366 -29.905 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.884 -7.773 -31.966 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.489 -9.546 -30.305 1.00 0.00 H new ATOM 897 N TYR A 53 0.824 -6.970 -36.020 1.00 0.00 N ATOM 898 CA TYR A 53 1.767 -6.245 -36.863 1.00 0.00 C ATOM 899 C TYR A 53 1.976 -4.824 -36.349 1.00 0.00 C ATOM 900 O TYR A 53 1.062 -4.000 -36.379 1.00 0.00 O ATOM 901 CB TYR A 53 1.269 -6.209 -38.308 1.00 0.00 C ATOM 902 CG TYR A 53 2.361 -6.424 -39.331 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.449 -5.563 -39.407 1.00 0.00 C ATOM 904 CD2 TYR A 53 2.305 -7.488 -40.223 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.449 -5.755 -40.340 1.00 0.00 C ATOM 906 CE2 TYR A 53 3.302 -7.689 -41.158 1.00 0.00 C ATOM 907 CZ TYR A 53 4.371 -6.820 -41.213 1.00 0.00 C ATOM 908 OH TYR A 53 5.365 -7.016 -42.145 1.00 0.00 O ATOM 0 H TYR A 53 -0.148 -6.903 -36.321 1.00 0.00 H new ATOM 0 HA TYR A 53 2.722 -6.768 -36.829 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.504 -6.975 -38.439 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.792 -5.247 -38.495 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.514 -4.729 -38.724 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.468 -8.169 -40.185 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.287 -5.075 -40.386 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.244 -8.523 -41.842 1.00 0.00 H new ATOM 0 HH TYR A 53 5.159 -7.810 -42.681 1.00 0.00 H new ATOM 918 N VAL A 54 3.187 -4.544 -35.877 1.00 0.00 N ATOM 919 CA VAL A 54 3.518 -3.222 -35.358 1.00 0.00 C ATOM 920 C VAL A 54 4.050 -2.316 -36.462 1.00 0.00 C ATOM 921 O VAL A 54 4.820 -2.749 -37.319 1.00 0.00 O ATOM 922 CB VAL A 54 4.564 -3.308 -34.230 1.00 0.00 C ATOM 923 CG1 VAL A 54 3.967 -3.966 -32.996 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.796 -4.065 -34.704 1.00 0.00 C ATOM 0 H VAL A 54 3.955 -5.215 -35.843 1.00 0.00 H new ATOM 0 HA VAL A 54 2.597 -2.799 -34.958 1.00 0.00 H new ATOM 0 HB VAL A 54 4.867 -2.296 -33.961 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.721 -4.018 -32.210 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.118 -3.379 -32.646 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.634 -4.973 -33.246 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.525 -4.117 -33.895 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.511 -5.074 -35.001 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.236 -3.547 -35.556 1.00 0.00 H new ATOM 934 N HIS A 55 3.635 -1.053 -36.434 1.00 0.00 N ATOM 935 CA HIS A 55 4.071 -0.083 -37.433 1.00 0.00 C ATOM 936 C HIS A 55 4.613 1.177 -36.766 1.00 0.00 C ATOM 937 O HIS A 55 4.083 1.632 -35.752 1.00 0.00 O ATOM 938 CB HIS A 55 2.913 0.277 -38.364 1.00 0.00 C ATOM 939 CG HIS A 55 3.249 1.354 -39.349 1.00 0.00 C ATOM 940 ND1 HIS A 55 4.458 1.420 -40.009 1.00 0.00 N ATOM 941 CD2 HIS A 55 2.525 2.411 -39.786 1.00 0.00 C ATOM 942 CE1 HIS A 55 4.464 2.472 -40.808 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.303 3.090 -40.692 1.00 0.00 N ATOM 0 H HIS A 55 2.998 -0.678 -35.731 1.00 0.00 H new ATOM 0 HA HIS A 55 4.871 -0.536 -38.019 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.603 -0.616 -38.906 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.061 0.598 -37.764 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.523 2.672 -39.480 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.280 2.775 -41.447 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.028 3.935 -41.194 1.00 0.00 H new ATOM 951 N TYR A 56 5.672 1.736 -37.340 1.00 0.00 N ATOM 952 CA TYR A 56 6.288 2.942 -36.800 1.00 0.00 C ATOM 953 C TYR A 56 5.838 4.177 -37.574 1.00 0.00 C ATOM 954 O TYR A 56 6.400 4.509 -38.618 1.00 0.00 O ATOM 955 CB TYR A 56 7.813 2.825 -36.844 1.00 0.00 C ATOM 956 CG TYR A 56 8.499 3.381 -35.617 1.00 0.00 C ATOM 957 CD1 TYR A 56 8.149 4.624 -35.104 1.00 0.00 C ATOM 958 CD2 TYR A 56 9.496 2.661 -34.969 1.00 0.00 C ATOM 959 CE1 TYR A 56 8.774 5.135 -33.983 1.00 0.00 C ATOM 960 CE2 TYR A 56 10.125 3.164 -33.847 1.00 0.00 C ATOM 961 CZ TYR A 56 9.761 4.401 -33.358 1.00 0.00 C ATOM 962 OH TYR A 56 10.385 4.907 -32.240 1.00 0.00 O ATOM 0 H TYR A 56 6.122 1.373 -38.180 1.00 0.00 H new ATOM 0 HA TYR A 56 5.969 3.050 -35.763 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.085 1.776 -36.958 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.184 3.348 -37.726 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.375 5.200 -35.590 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.784 1.692 -35.349 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.492 6.104 -33.598 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.898 2.592 -33.355 1.00 0.00 H new ATOM 0 HH TYR A 56 11.054 4.266 -31.921 1.00 0.00 H new ATOM 972 N VAL A 57 4.820 4.856 -37.053 1.00 0.00 N ATOM 973 CA VAL A 57 4.295 6.056 -37.693 1.00 0.00 C ATOM 974 C VAL A 57 5.339 7.166 -37.720 1.00 0.00 C ATOM 975 O VAL A 57 5.410 7.942 -38.672 1.00 0.00 O ATOM 976 CB VAL A 57 3.034 6.569 -36.972 1.00 0.00 C ATOM 977 CG1 VAL A 57 1.910 5.549 -37.071 1.00 0.00 C ATOM 978 CG2 VAL A 57 3.346 6.893 -35.519 1.00 0.00 C ATOM 0 H VAL A 57 4.343 4.595 -36.190 1.00 0.00 H new ATOM 0 HA VAL A 57 4.035 5.782 -38.715 1.00 0.00 H new ATOM 0 HB VAL A 57 2.704 7.485 -37.461 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.028 5.929 -36.556 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.670 5.372 -38.120 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.226 4.614 -36.608 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.444 7.254 -35.025 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.702 5.995 -35.014 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.116 7.663 -35.475 1.00 0.00 H new ATOM 988 N ASN A 58 6.149 7.235 -36.668 1.00 0.00 N ATOM 989 CA ASN A 58 7.191 8.251 -36.571 1.00 0.00 C ATOM 990 C ASN A 58 8.538 7.694 -37.022 1.00 0.00 C ATOM 991 O ASN A 58 9.558 7.898 -36.363 1.00 0.00 O ATOM 992 CB ASN A 58 7.295 8.769 -35.136 1.00 0.00 C ATOM 993 CG ASN A 58 7.734 10.219 -35.074 1.00 0.00 C ATOM 994 OD1 ASN A 58 7.971 10.852 -36.104 1.00 0.00 O ATOM 995 ND2 ASN A 58 7.846 10.753 -33.863 1.00 0.00 N ATOM 0 H ASN A 58 6.104 6.600 -35.871 1.00 0.00 H new ATOM 0 HA ASN A 58 6.921 9.077 -37.229 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.328 8.664 -34.644 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.004 8.154 -34.581 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.139 11.725 -33.759 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.639 10.191 -33.037 1.00 0.00 H new ATOM 1002 N TYR A 59 8.533 6.990 -38.149 1.00 0.00 N ATOM 1003 CA TYR A 59 9.754 6.402 -38.687 1.00 0.00 C ATOM 1004 C TYR A 59 9.498 5.769 -40.051 1.00 0.00 C ATOM 1005 O TYR A 59 8.372 5.768 -40.546 1.00 0.00 O ATOM 1006 CB TYR A 59 10.308 5.353 -37.722 1.00 0.00 C ATOM 1007 CG TYR A 59 11.819 5.314 -37.672 1.00 0.00 C ATOM 1008 CD1 TYR A 59 12.544 6.373 -37.140 1.00 0.00 C ATOM 1009 CD2 TYR A 59 12.522 4.218 -38.157 1.00 0.00 C ATOM 1010 CE1 TYR A 59 13.924 6.342 -37.093 1.00 0.00 C ATOM 1011 CE2 TYR A 59 13.902 4.177 -38.113 1.00 0.00 C ATOM 1012 CZ TYR A 59 14.598 5.242 -37.581 1.00 0.00 C ATOM 1013 OH TYR A 59 15.973 5.207 -37.535 1.00 0.00 O ATOM 0 H TYR A 59 7.698 6.813 -38.707 1.00 0.00 H new ATOM 0 HA TYR A 59 10.488 7.199 -38.808 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.925 5.554 -36.721 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.937 4.371 -38.014 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.019 7.236 -36.756 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.980 3.383 -38.576 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.472 7.174 -36.677 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.433 3.316 -38.493 1.00 0.00 H new ATOM 0 HH TYR A 59 16.292 4.363 -37.917 1.00 0.00 H new ATOM 1023 N ASN A 60 10.553 5.230 -40.654 1.00 0.00 N ATOM 1024 CA ASN A 60 10.444 4.592 -41.961 1.00 0.00 C ATOM 1025 C ASN A 60 9.480 3.411 -41.911 1.00 0.00 C ATOM 1026 O ASN A 60 8.895 3.115 -40.869 1.00 0.00 O ATOM 1027 CB ASN A 60 11.819 4.123 -42.439 1.00 0.00 C ATOM 1028 CG ASN A 60 12.642 5.252 -43.030 1.00 0.00 C ATOM 1029 OD1 ASN A 60 12.472 6.415 -42.666 1.00 0.00 O ATOM 1030 ND2 ASN A 60 13.541 4.911 -43.946 1.00 0.00 N ATOM 0 H ASN A 60 11.493 5.222 -40.258 1.00 0.00 H new ATOM 0 HA ASN A 60 10.054 5.327 -42.665 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.360 3.682 -41.602 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.693 3.339 -43.186 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.125 5.627 -44.378 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.647 3.933 -44.217 1.00 0.00 H new ATOM 1037 N LYS A 61 9.319 2.738 -43.046 1.00 0.00 N ATOM 1038 CA LYS A 61 8.428 1.587 -43.133 1.00 0.00 C ATOM 1039 C LYS A 61 9.207 0.283 -42.991 1.00 0.00 C ATOM 1040 O LYS A 61 8.648 -0.747 -42.616 1.00 0.00 O ATOM 1041 CB LYS A 61 7.674 1.600 -44.465 1.00 0.00 C ATOM 1042 CG LYS A 61 8.584 1.684 -45.678 1.00 0.00 C ATOM 1043 CD LYS A 61 7.791 1.638 -46.974 1.00 0.00 C ATOM 1044 CE LYS A 61 8.638 1.120 -48.127 1.00 0.00 C ATOM 1045 NZ LYS A 61 9.603 2.146 -48.610 1.00 0.00 N ATOM 0 H LYS A 61 9.794 2.970 -43.918 1.00 0.00 H new ATOM 0 HA LYS A 61 7.711 1.652 -42.315 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.067 0.697 -44.538 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.988 2.447 -44.476 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.162 2.607 -45.637 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.297 0.860 -45.657 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.918 0.997 -46.846 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.422 2.636 -47.212 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.182 0.231 -47.807 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.988 0.818 -48.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.161 1.755 -49.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.083 2.984 -48.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.240 2.416 -47.834 1.00 0.00 H new ATOM 1059 N ARG A 62 10.501 0.337 -43.290 1.00 0.00 N ATOM 1060 CA ARG A 62 11.357 -0.840 -43.195 1.00 0.00 C ATOM 1061 C ARG A 62 11.280 -1.456 -41.801 1.00 0.00 C ATOM 1062 O ARG A 62 11.442 -2.666 -41.636 1.00 0.00 O ATOM 1063 CB ARG A 62 12.805 -0.472 -43.523 1.00 0.00 C ATOM 1064 CG ARG A 62 13.502 0.301 -42.415 1.00 0.00 C ATOM 1065 CD ARG A 62 14.499 1.302 -42.977 1.00 0.00 C ATOM 1066 NE ARG A 62 15.804 0.695 -43.226 1.00 0.00 N ATOM 1067 CZ ARG A 62 16.770 1.287 -43.919 1.00 0.00 C ATOM 1068 NH1 ARG A 62 16.580 2.496 -44.428 1.00 0.00 N ATOM 1069 NH2 ARG A 62 17.931 0.669 -44.102 1.00 0.00 N ATOM 0 H ARG A 62 10.980 1.183 -43.600 1.00 0.00 H new ATOM 0 HA ARG A 62 11.004 -1.575 -43.918 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.366 -1.384 -43.727 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.822 0.123 -44.436 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.760 0.824 -41.812 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.017 -0.395 -41.753 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.110 1.718 -43.906 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.612 2.131 -42.279 1.00 0.00 H new ATOM 0 HE ARG A 62 15.983 -0.235 -42.847 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.690 2.974 -44.288 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.324 2.948 -44.960 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.081 -0.261 -43.710 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.673 1.124 -44.634 1.00 0.00 H new ATOM 1083 N LEU A 63 11.034 -0.617 -40.802 1.00 0.00 N ATOM 1084 CA LEU A 63 10.936 -1.078 -39.421 1.00 0.00 C ATOM 1085 C LEU A 63 9.615 -1.803 -39.182 1.00 0.00 C ATOM 1086 O LEU A 63 9.521 -2.671 -38.313 1.00 0.00 O ATOM 1087 CB LEU A 63 11.065 0.102 -38.458 1.00 0.00 C ATOM 1088 CG LEU A 63 12.457 0.342 -37.872 1.00 0.00 C ATOM 1089 CD1 LEU A 63 13.417 0.813 -38.954 1.00 0.00 C ATOM 1090 CD2 LEU A 63 12.392 1.353 -36.737 1.00 0.00 C ATOM 0 H LEU A 63 10.899 0.387 -40.922 1.00 0.00 H new ATOM 0 HA LEU A 63 11.752 -1.778 -39.239 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.751 1.006 -38.979 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.367 -0.049 -37.634 1.00 0.00 H new ATOM 0 HG LEU A 63 12.828 -0.601 -37.470 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.403 0.979 -38.519 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.487 0.054 -39.733 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.050 1.744 -39.386 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.392 1.511 -36.333 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.999 2.298 -37.113 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.738 0.976 -35.951 1.00 0.00 H new ATOM 1102 N ASP A 64 8.599 -1.442 -39.958 1.00 0.00 N ATOM 1103 CA ASP A 64 7.284 -2.060 -39.832 1.00 0.00 C ATOM 1104 C ASP A 64 7.391 -3.581 -39.884 1.00 0.00 C ATOM 1105 O ASP A 64 7.620 -4.160 -40.945 1.00 0.00 O ATOM 1106 CB ASP A 64 6.356 -1.564 -40.942 1.00 0.00 C ATOM 1107 CG ASP A 64 4.956 -2.132 -40.822 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.334 -1.958 -39.753 1.00 0.00 O ATOM 1109 OD2 ASP A 64 4.481 -2.752 -41.797 1.00 0.00 O ATOM 0 H ASP A 64 8.661 -0.725 -40.681 1.00 0.00 H new ATOM 0 HA ASP A 64 6.867 -1.776 -38.866 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.307 -0.476 -40.912 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.774 -1.837 -41.911 1.00 0.00 H new ATOM 1114 N GLU A 65 7.226 -4.221 -38.730 1.00 0.00 N ATOM 1115 CA GLU A 65 7.306 -5.674 -38.645 1.00 0.00 C ATOM 1116 C GLU A 65 6.211 -6.227 -37.737 1.00 0.00 C ATOM 1117 O GLU A 65 5.393 -5.477 -37.206 1.00 0.00 O ATOM 1118 CB GLU A 65 8.680 -6.102 -38.125 1.00 0.00 C ATOM 1119 CG GLU A 65 8.972 -5.622 -36.713 1.00 0.00 C ATOM 1120 CD GLU A 65 10.445 -5.707 -36.361 1.00 0.00 C ATOM 1121 OE1 GLU A 65 11.146 -6.562 -36.941 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.896 -4.917 -35.506 1.00 0.00 O ATOM 0 H GLU A 65 7.036 -3.756 -37.842 1.00 0.00 H new ATOM 0 HA GLU A 65 7.162 -6.079 -39.647 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.747 -7.190 -38.151 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.449 -5.719 -38.796 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.636 -4.591 -36.607 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.398 -6.219 -36.004 1.00 0.00 H new ATOM 1129 N TRP A 66 6.203 -7.544 -37.565 1.00 0.00 N ATOM 1130 CA TRP A 66 5.209 -8.199 -36.722 1.00 0.00 C ATOM 1131 C TRP A 66 5.868 -8.858 -35.516 1.00 0.00 C ATOM 1132 O TRP A 66 7.012 -9.307 -35.591 1.00 0.00 O ATOM 1133 CB TRP A 66 4.433 -9.241 -37.529 1.00 0.00 C ATOM 1134 CG TRP A 66 5.296 -10.347 -38.056 1.00 0.00 C ATOM 1135 CD1 TRP A 66 6.171 -10.276 -39.102 1.00 0.00 C ATOM 1136 CD2 TRP A 66 5.366 -11.689 -37.563 1.00 0.00 C ATOM 1137 NE1 TRP A 66 6.780 -11.494 -39.290 1.00 0.00 N ATOM 1138 CE2 TRP A 66 6.304 -12.377 -38.357 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.728 -12.377 -36.526 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 6.617 -13.717 -38.147 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 5.040 -13.707 -36.319 1.00 0.00 C ATOM 1142 CH2 TRP A 66 5.977 -14.366 -37.125 1.00 0.00 C ATOM 0 H TRP A 66 6.873 -8.179 -37.998 1.00 0.00 H new ATOM 0 HA TRP A 66 4.515 -7.439 -36.363 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.651 -9.668 -36.901 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.937 -8.747 -38.365 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.357 -9.393 -39.695 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.473 -11.706 -40.007 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.005 -11.878 -35.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 7.339 -14.227 -38.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.553 -14.248 -35.521 1.00 0.00 H new ATOM 0 HH2 TRP A 66 6.199 -15.406 -36.937 1.00 0.00 H new ATOM 1153 N ILE A 67 5.140 -8.914 -34.406 1.00 0.00 N ATOM 1154 CA ILE A 67 5.654 -9.521 -33.185 1.00 0.00 C ATOM 1155 C ILE A 67 4.524 -10.097 -32.339 1.00 0.00 C ATOM 1156 O ILE A 67 3.355 -10.038 -32.720 1.00 0.00 O ATOM 1157 CB ILE A 67 6.445 -8.503 -32.340 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.649 -7.205 -32.191 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.801 -8.230 -32.973 1.00 0.00 C ATOM 1160 CD1 ILE A 67 6.164 -6.304 -31.090 1.00 0.00 C ATOM 0 H ILE A 67 4.192 -8.546 -34.327 1.00 0.00 H new ATOM 0 HA ILE A 67 6.323 -10.326 -33.490 1.00 0.00 H new ATOM 0 HB ILE A 67 6.608 -8.924 -31.348 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.675 -6.662 -33.136 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.605 -7.449 -31.992 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.348 -7.509 -32.365 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.368 -9.159 -33.033 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.660 -7.826 -33.975 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.553 -5.403 -31.041 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.113 -6.829 -30.136 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.198 -6.030 -31.298 1.00 0.00 H new ATOM 1172 N THR A 68 4.880 -10.655 -31.186 1.00 0.00 N ATOM 1173 CA THR A 68 3.897 -11.242 -30.285 1.00 0.00 C ATOM 1174 C THR A 68 3.626 -10.328 -29.095 1.00 0.00 C ATOM 1175 O THR A 68 4.129 -9.205 -29.034 1.00 0.00 O ATOM 1176 CB THR A 68 4.360 -12.617 -29.766 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.545 -12.468 -28.975 1.00 0.00 O ATOM 1178 CG2 THR A 68 4.632 -13.568 -30.922 1.00 0.00 C ATOM 0 H THR A 68 5.843 -10.712 -30.854 1.00 0.00 H new ATOM 0 HA THR A 68 2.979 -11.369 -30.859 1.00 0.00 H new ATOM 0 HB THR A 68 3.563 -13.036 -29.151 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.832 -13.346 -28.647 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.958 -14.532 -30.531 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.721 -13.702 -31.505 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.413 -13.152 -31.559 1.00 0.00 H new ATOM 1186 N THR A 69 2.828 -10.815 -28.150 1.00 0.00 N ATOM 1187 CA THR A 69 2.489 -10.041 -26.962 1.00 0.00 C ATOM 1188 C THR A 69 3.664 -9.979 -25.993 1.00 0.00 C ATOM 1189 O THR A 69 3.793 -9.031 -25.218 1.00 0.00 O ATOM 1190 CB THR A 69 1.269 -10.635 -26.234 1.00 0.00 C ATOM 1191 OG1 THR A 69 0.826 -9.739 -25.209 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.608 -11.986 -25.622 1.00 0.00 C ATOM 0 H THR A 69 2.404 -11.742 -28.184 1.00 0.00 H new ATOM 0 HA THR A 69 2.246 -9.033 -27.300 1.00 0.00 H new ATOM 0 HB THR A 69 0.471 -10.775 -26.964 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.282 -10.230 -24.558 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.731 -12.385 -25.113 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.916 -12.675 -26.409 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.420 -11.867 -24.905 1.00 0.00 H new ATOM 1200 N ASP A 70 4.520 -10.994 -26.043 1.00 0.00 N ATOM 1201 CA ASP A 70 5.686 -11.054 -25.170 1.00 0.00 C ATOM 1202 C ASP A 70 6.517 -9.780 -25.285 1.00 0.00 C ATOM 1203 O ASP A 70 7.199 -9.384 -24.339 1.00 0.00 O ATOM 1204 CB ASP A 70 6.546 -12.271 -25.514 1.00 0.00 C ATOM 1205 CG ASP A 70 7.392 -12.733 -24.344 1.00 0.00 C ATOM 1206 OD1 ASP A 70 6.894 -13.547 -23.538 1.00 0.00 O ATOM 1207 OD2 ASP A 70 8.550 -12.280 -24.233 1.00 0.00 O ATOM 0 H ASP A 70 4.428 -11.786 -26.679 1.00 0.00 H new ATOM 0 HA ASP A 70 5.335 -11.146 -24.142 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.901 -13.088 -25.837 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.196 -12.027 -26.354 1.00 0.00 H new ATOM 1212 N ARG A 71 6.455 -9.142 -26.449 1.00 0.00 N ATOM 1213 CA ARG A 71 7.203 -7.914 -26.688 1.00 0.00 C ATOM 1214 C ARG A 71 6.282 -6.698 -26.641 1.00 0.00 C ATOM 1215 O ARG A 71 6.739 -5.567 -26.473 1.00 0.00 O ATOM 1216 CB ARG A 71 7.911 -7.978 -28.043 1.00 0.00 C ATOM 1217 CG ARG A 71 8.794 -9.204 -28.210 1.00 0.00 C ATOM 1218 CD ARG A 71 10.118 -8.851 -28.871 1.00 0.00 C ATOM 1219 NE ARG A 71 9.933 -8.005 -30.048 1.00 0.00 N ATOM 1220 CZ ARG A 71 10.938 -7.494 -30.750 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.192 -7.741 -30.396 1.00 0.00 N ATOM 1222 NH2 ARG A 71 10.690 -6.733 -31.808 1.00 0.00 N ATOM 0 H ARG A 71 5.894 -9.455 -27.241 1.00 0.00 H new ATOM 0 HA ARG A 71 7.949 -7.814 -25.900 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.163 -7.969 -28.835 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.519 -7.082 -28.168 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.981 -9.654 -27.235 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.273 -9.950 -28.811 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.757 -8.338 -28.152 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.635 -9.766 -29.160 1.00 0.00 H new ATOM 0 HE ARG A 71 8.980 -7.796 -30.347 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.387 -8.325 -29.583 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.962 -7.347 -30.937 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.727 -6.540 -32.083 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.462 -6.341 -32.347 1.00 0.00 H new ATOM 1236 N ILE A 72 4.984 -6.940 -26.791 1.00 0.00 N ATOM 1237 CA ILE A 72 4.000 -5.865 -26.765 1.00 0.00 C ATOM 1238 C ILE A 72 3.322 -5.773 -25.402 1.00 0.00 C ATOM 1239 O ILE A 72 2.650 -6.708 -24.967 1.00 0.00 O ATOM 1240 CB ILE A 72 2.923 -6.062 -27.848 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.568 -6.124 -29.234 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.897 -4.940 -27.786 1.00 0.00 C ATOM 1243 CD1 ILE A 72 2.621 -6.577 -30.322 1.00 0.00 C ATOM 0 H ILE A 72 4.590 -7.870 -26.932 1.00 0.00 H new ATOM 0 HA ILE A 72 4.539 -4.939 -26.964 1.00 0.00 H new ATOM 0 HB ILE A 72 2.412 -7.007 -27.663 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.957 -5.138 -29.489 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.420 -6.803 -29.199 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.143 -5.094 -28.558 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.419 -4.938 -26.806 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.394 -3.984 -27.949 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.147 -6.597 -31.277 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.252 -7.576 -30.090 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.781 -5.885 -30.385 1.00 0.00 H new ATOM 1255 N ASN A 73 3.503 -4.639 -24.733 1.00 0.00 N ATOM 1256 CA ASN A 73 2.908 -4.424 -23.419 1.00 0.00 C ATOM 1257 C ASN A 73 1.506 -3.835 -23.546 1.00 0.00 C ATOM 1258 O ASN A 73 1.342 -2.629 -23.738 1.00 0.00 O ATOM 1259 CB ASN A 73 3.790 -3.494 -22.583 1.00 0.00 C ATOM 1260 CG ASN A 73 3.553 -3.658 -21.094 1.00 0.00 C ATOM 1261 OD1 ASN A 73 2.797 -2.899 -20.487 1.00 0.00 O ATOM 1262 ND2 ASN A 73 4.200 -4.652 -20.497 1.00 0.00 N ATOM 0 H ASN A 73 4.057 -3.855 -25.079 1.00 0.00 H new ATOM 0 HA ASN A 73 2.833 -5.390 -22.919 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.838 -3.694 -22.806 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.595 -2.460 -22.868 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.080 -4.810 -19.497 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.817 -5.257 -21.039 1.00 0.00 H new ATOM 1269 N LEU A 74 0.498 -4.693 -23.438 1.00 0.00 N ATOM 1270 CA LEU A 74 -0.891 -4.258 -23.541 1.00 0.00 C ATOM 1271 C LEU A 74 -1.168 -3.093 -22.596 1.00 0.00 C ATOM 1272 O LEU A 74 -1.477 -1.985 -23.034 1.00 0.00 O ATOM 1273 CB LEU A 74 -1.834 -5.420 -23.226 1.00 0.00 C ATOM 1274 CG LEU A 74 -3.320 -5.170 -23.489 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -3.531 -4.655 -24.904 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -4.125 -6.440 -23.256 1.00 0.00 C ATOM 0 H LEU A 74 0.616 -5.694 -23.279 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.066 -3.922 -24.563 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.522 -6.284 -23.813 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.711 -5.687 -22.176 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.670 -4.410 -22.791 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.594 -4.483 -25.074 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.986 -3.720 -25.036 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.165 -5.393 -25.618 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.180 -6.243 -23.448 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.774 -7.222 -23.929 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.999 -6.766 -22.224 1.00 0.00 H new