USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 369 ASN : amide:sc= -3.36! K(o=-4.2!,f=-5.9) USER MOD Set 1.2: A 436 GLN : amide:sc= -0.859 K(o=-4.2,f=-4.8) USER MOD Set 2.1: A 401 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 414 THR OG1 : rot 180:sc= -0.918 USER MOD Set 3.1: A 390 ASN : amide:sc= -1.28 K(o=-2.4,f=-6.2!) USER MOD Set 3.2: A 393 THR OG1 : rot 160:sc= -1.15 USER MOD Single : A 361 SER OG : rot 19:sc= 0.307 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 366 GLN : amide:sc= -0.949 X(o=-0.95,f=-0.63) USER MOD Single : A 371 SER OG : rot -43:sc= 0.529 USER MOD Single : A 373 THR OG1 : rot 132:sc= -2.58! USER MOD Single : A 382 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0169) USER MOD Single : A 383 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1.9!) USER MOD Single : A 384 CYS SG : rot 57:sc= -0.258 USER MOD Single : A 388 LYS NZ :NH3+ 161:sc= -0.0623 (180deg=-0.355) USER MOD Single : A 389 MET CE :methyl -122:sc= -2.93! (180deg=-3.52!) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 397 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 404 LYS NZ :NH3+ -116:sc= 0.184 (180deg=-0.27) USER MOD Single : A 406 THR OG1 : rot 180:sc= -0.881 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 410 LYS NZ :NH3+ 137:sc= -0.754 (180deg=-2.84!) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 5:sc= -0.871 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 168 N SER A 361 0.890 8.542 1.188 1.00 0.00 N ATOM 169 CA SER A 361 1.186 8.188 -0.196 1.00 0.00 C ATOM 170 C SER A 361 1.909 6.847 -0.271 1.00 0.00 C ATOM 171 O SER A 361 2.868 6.688 -1.026 1.00 0.00 O ATOM 172 CB SER A 361 2.036 9.277 -0.853 1.00 0.00 C ATOM 173 OG SER A 361 1.557 10.568 -0.521 1.00 0.00 O ATOM 0 HA SER A 361 0.241 8.102 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 361 3.073 9.177 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 361 2.024 9.149 -1.935 1.00 0.00 H new ATOM 0 HG SER A 361 0.985 10.511 0.272 1.00 0.00 H new ATOM 179 N ALA A 362 1.442 5.885 0.519 1.00 0.00 N ATOM 180 CA ALA A 362 2.042 4.557 0.542 1.00 0.00 C ATOM 181 C ALA A 362 0.987 3.482 0.777 1.00 0.00 C ATOM 182 O ALA A 362 -0.080 3.755 1.327 1.00 0.00 O ATOM 183 CB ALA A 362 3.121 4.484 1.613 1.00 0.00 C ATOM 0 H ALA A 362 0.650 6.001 1.151 1.00 0.00 H new ATOM 0 HA ALA A 362 2.498 4.374 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 362 3.561 3.487 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 362 3.896 5.221 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 362 2.681 4.692 2.588 1.00 0.00 H new ATOM 189 N ILE A 363 1.293 2.258 0.355 1.00 0.00 N ATOM 190 CA ILE A 363 0.369 1.143 0.521 1.00 0.00 C ATOM 191 C ILE A 363 1.058 -0.048 1.180 1.00 0.00 C ATOM 192 O ILE A 363 2.211 -0.357 0.876 1.00 0.00 O ATOM 193 CB ILE A 363 -0.222 0.696 -0.829 1.00 0.00 C ATOM 194 CG1 ILE A 363 0.890 0.217 -1.765 1.00 0.00 C ATOM 195 CG2 ILE A 363 -1.004 1.835 -1.467 1.00 0.00 C ATOM 196 CD1 ILE A 363 0.378 -0.502 -2.993 1.00 0.00 C ATOM 0 H ILE A 363 2.171 2.015 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 363 -0.438 1.495 1.163 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.905 -0.135 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 363 1.485 1.075 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.555 -0.449 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -1.416 1.504 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.817 2.134 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 363 -0.340 2.684 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 363 1.221 -0.813 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 363 -0.193 -1.380 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 363 -0.264 0.168 -3.566 1.00 0.00 H new ATOM 208 N TYR A 364 0.344 -0.714 2.081 1.00 0.00 N ATOM 209 CA TYR A 364 0.888 -1.870 2.783 1.00 0.00 C ATOM 210 C TYR A 364 0.414 -3.170 2.139 1.00 0.00 C ATOM 211 O TYR A 364 -0.766 -3.516 2.206 1.00 0.00 O ATOM 212 CB TYR A 364 0.476 -1.838 4.256 1.00 0.00 C ATOM 213 CG TYR A 364 1.390 -2.638 5.158 1.00 0.00 C ATOM 214 CD1 TYR A 364 1.277 -4.020 5.244 1.00 0.00 C ATOM 215 CD2 TYR A 364 2.367 -2.011 5.921 1.00 0.00 C ATOM 216 CE1 TYR A 364 2.108 -4.754 6.067 1.00 0.00 C ATOM 217 CE2 TYR A 364 3.204 -2.737 6.746 1.00 0.00 C ATOM 218 CZ TYR A 364 3.070 -4.109 6.815 1.00 0.00 C ATOM 219 OH TYR A 364 3.902 -4.837 7.635 1.00 0.00 O ATOM 0 H TYR A 364 -0.612 -0.473 2.342 1.00 0.00 H new ATOM 0 HA TYR A 364 1.975 -1.827 2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.458 -0.803 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 364 -0.540 -2.222 4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 364 0.527 -4.529 4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.474 -0.938 5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 364 2.005 -5.828 6.124 1.00 0.00 H new ATOM 0 HE2 TYR A 364 3.958 -2.234 7.333 1.00 0.00 H new ATOM 0 HH TYR A 364 4.523 -4.232 8.091 1.00 0.00 H new ATOM 229 N VAL A 365 1.343 -3.887 1.515 1.00 0.00 N ATOM 230 CA VAL A 365 1.023 -5.149 0.861 1.00 0.00 C ATOM 231 C VAL A 365 1.299 -6.332 1.783 1.00 0.00 C ATOM 232 O VAL A 365 2.296 -6.349 2.505 1.00 0.00 O ATOM 233 CB VAL A 365 1.829 -5.327 -0.440 1.00 0.00 C ATOM 234 CG1 VAL A 365 1.290 -6.500 -1.245 1.00 0.00 C ATOM 235 CG2 VAL A 365 1.802 -4.048 -1.262 1.00 0.00 C ATOM 0 H VAL A 365 2.324 -3.615 1.449 1.00 0.00 H new ATOM 0 HA VAL A 365 -0.040 -5.120 0.620 1.00 0.00 H new ATOM 0 HB VAL A 365 2.865 -5.542 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 365 1.871 -6.611 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 365 1.366 -7.413 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 365 0.246 -6.318 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.376 -4.192 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 365 0.771 -3.800 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 365 2.239 -3.234 -0.683 1.00 0.00 H new ATOM 245 N GLN A 366 0.410 -7.319 1.751 1.00 0.00 N ATOM 246 CA GLN A 366 0.559 -8.506 2.585 1.00 0.00 C ATOM 247 C GLN A 366 -0.002 -9.738 1.883 1.00 0.00 C ATOM 248 O GLN A 366 -1.175 -9.773 1.511 1.00 0.00 O ATOM 249 CB GLN A 366 -0.146 -8.304 3.928 1.00 0.00 C ATOM 250 CG GLN A 366 0.644 -7.453 4.908 1.00 0.00 C ATOM 251 CD GLN A 366 -0.157 -7.088 6.142 1.00 0.00 C ATOM 252 OE1 GLN A 366 -0.035 -7.728 7.187 1.00 0.00 O ATOM 253 NE2 GLN A 366 -0.983 -6.055 6.028 1.00 0.00 N ATOM 0 H GLN A 366 -0.420 -7.321 1.158 1.00 0.00 H new ATOM 0 HA GLN A 366 1.623 -8.664 2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 366 -1.115 -7.837 3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 366 -0.338 -9.278 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 366 1.542 -7.992 5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 366 0.972 -6.541 4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 366 -1.053 -5.553 5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 366 -1.548 -5.763 6.826 1.00 0.00 H new ATOM 262 N GLY A 367 0.843 -10.749 1.704 1.00 0.00 N ATOM 263 CA GLY A 367 0.414 -11.969 1.047 1.00 0.00 C ATOM 264 C GLY A 367 1.379 -12.417 -0.033 1.00 0.00 C ATOM 265 O GLY A 367 1.107 -13.371 -0.762 1.00 0.00 O ATOM 0 H GLY A 367 1.818 -10.744 2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 367 0.311 -12.761 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 367 -0.571 -11.814 0.608 1.00 0.00 H new ATOM 269 N LEU A 368 2.509 -11.726 -0.137 1.00 0.00 N ATOM 270 CA LEU A 368 3.518 -12.057 -1.138 1.00 0.00 C ATOM 271 C LEU A 368 4.237 -13.353 -0.777 1.00 0.00 C ATOM 272 O LEU A 368 4.280 -13.748 0.387 1.00 0.00 O ATOM 273 CB LEU A 368 4.531 -10.917 -1.265 1.00 0.00 C ATOM 274 CG LEU A 368 3.954 -9.539 -1.589 1.00 0.00 C ATOM 275 CD1 LEU A 368 4.957 -8.447 -1.253 1.00 0.00 C ATOM 276 CD2 LEU A 368 3.549 -9.462 -3.054 1.00 0.00 C ATOM 0 H LEU A 368 2.750 -10.934 0.459 1.00 0.00 H new ATOM 0 HA LEU A 368 3.015 -12.196 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 368 5.086 -10.845 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 368 5.248 -11.180 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 368 3.064 -9.386 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 368 4.528 -7.473 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 368 5.197 -8.488 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 368 5.866 -8.595 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 368 3.140 -8.474 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 368 4.422 -9.637 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.794 -10.220 -3.263 1.00 0.00 H new ATOM 288 N ASN A 369 4.801 -14.011 -1.786 1.00 0.00 N ATOM 289 CA ASN A 369 5.520 -15.262 -1.574 1.00 0.00 C ATOM 290 C ASN A 369 6.960 -14.996 -1.147 1.00 0.00 C ATOM 291 O ASN A 369 7.405 -13.849 -1.102 1.00 0.00 O ATOM 292 CB ASN A 369 5.503 -16.105 -2.852 1.00 0.00 C ATOM 293 CG ASN A 369 5.694 -15.267 -4.100 1.00 0.00 C ATOM 294 OD1 ASN A 369 6.769 -15.260 -4.699 1.00 0.00 O ATOM 295 ND2 ASN A 369 4.647 -14.553 -4.500 1.00 0.00 N ATOM 0 H ASN A 369 4.774 -13.699 -2.757 1.00 0.00 H new ATOM 0 HA ASN A 369 5.019 -15.811 -0.776 1.00 0.00 H new ATOM 0 HB2 ASN A 369 6.290 -16.857 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 369 4.556 -16.640 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 369 4.716 -13.970 -5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 369 3.774 -14.588 -3.973 1.00 0.00 H new ATOM 302 N ASP A 370 7.684 -16.065 -0.833 1.00 0.00 N ATOM 303 CA ASP A 370 9.075 -15.949 -0.410 1.00 0.00 C ATOM 304 C ASP A 370 10.005 -15.860 -1.616 1.00 0.00 C ATOM 305 O ASP A 370 11.227 -15.894 -1.475 1.00 0.00 O ATOM 306 CB ASP A 370 9.466 -17.142 0.464 1.00 0.00 C ATOM 307 CG ASP A 370 8.530 -17.329 1.641 1.00 0.00 C ATOM 308 OD1 ASP A 370 8.663 -16.579 2.630 1.00 0.00 O ATOM 309 OD2 ASP A 370 7.664 -18.226 1.573 1.00 0.00 O ATOM 0 H ASP A 370 7.331 -17.021 -0.863 1.00 0.00 H new ATOM 0 HA ASP A 370 9.176 -15.033 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 370 9.468 -18.048 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 370 10.483 -17.002 0.831 1.00 0.00 H new ATOM 314 N SER A 371 9.417 -15.746 -2.803 1.00 0.00 N ATOM 315 CA SER A 371 10.191 -15.657 -4.035 1.00 0.00 C ATOM 316 C SER A 371 9.960 -14.317 -4.727 1.00 0.00 C ATOM 317 O SER A 371 10.473 -14.072 -5.819 1.00 0.00 O ATOM 318 CB SER A 371 9.821 -16.802 -4.979 1.00 0.00 C ATOM 319 OG SER A 371 10.686 -16.837 -6.102 1.00 0.00 O ATOM 0 H SER A 371 8.406 -15.713 -2.937 1.00 0.00 H new ATOM 0 HA SER A 371 11.247 -15.735 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 371 9.875 -17.750 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 371 8.790 -16.683 -5.313 1.00 0.00 H new ATOM 0 HG SER A 371 10.823 -15.927 -6.438 1.00 0.00 H new ATOM 325 N VAL A 372 9.181 -13.453 -4.083 1.00 0.00 N ATOM 326 CA VAL A 372 8.881 -12.137 -4.636 1.00 0.00 C ATOM 327 C VAL A 372 10.076 -11.200 -4.501 1.00 0.00 C ATOM 328 O VAL A 372 10.707 -11.126 -3.446 1.00 0.00 O ATOM 329 CB VAL A 372 7.663 -11.501 -3.940 1.00 0.00 C ATOM 330 CG1 VAL A 372 8.049 -10.970 -2.568 1.00 0.00 C ATOM 331 CG2 VAL A 372 7.074 -10.396 -4.803 1.00 0.00 C ATOM 0 H VAL A 372 8.747 -13.640 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 372 8.653 -12.281 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 372 6.901 -12.269 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 372 7.176 -10.524 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 372 8.420 -11.789 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 372 8.828 -10.215 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 372 6.214 -9.958 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 372 7.827 -9.626 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 372 6.758 -10.811 -5.760 1.00 0.00 H new ATOM 341 N THR A 373 10.382 -10.482 -5.578 1.00 0.00 N ATOM 342 CA THR A 373 11.501 -9.548 -5.582 1.00 0.00 C ATOM 343 C THR A 373 11.016 -8.109 -5.715 1.00 0.00 C ATOM 344 O THR A 373 9.838 -7.862 -5.975 1.00 0.00 O ATOM 345 CB THR A 373 12.485 -9.855 -6.726 1.00 0.00 C ATOM 346 OG1 THR A 373 11.787 -9.890 -7.976 1.00 0.00 O ATOM 347 CG2 THR A 373 13.187 -11.184 -6.494 1.00 0.00 C ATOM 0 H THR A 373 9.870 -10.530 -6.459 1.00 0.00 H new ATOM 0 HA THR A 373 12.016 -9.668 -4.629 1.00 0.00 H new ATOM 0 HB THR A 373 13.236 -9.065 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 373 12.266 -9.344 -8.634 1.00 0.00 H new ATOM 0 HG21 THR A 373 13.877 -11.379 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 373 13.741 -11.144 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 373 12.447 -11.983 -6.444 1.00 0.00 H new ATOM 355 N LEU A 374 11.931 -7.162 -5.538 1.00 0.00 N ATOM 356 CA LEU A 374 11.597 -5.746 -5.639 1.00 0.00 C ATOM 357 C LEU A 374 11.193 -5.383 -7.065 1.00 0.00 C ATOM 358 O LEU A 374 10.043 -5.026 -7.322 1.00 0.00 O ATOM 359 CB LEU A 374 12.785 -4.888 -5.200 1.00 0.00 C ATOM 360 CG LEU A 374 12.754 -3.424 -5.639 1.00 0.00 C ATOM 361 CD1 LEU A 374 11.766 -2.636 -4.794 1.00 0.00 C ATOM 362 CD2 LEU A 374 14.143 -2.810 -5.548 1.00 0.00 C ATOM 0 H LEU A 374 12.910 -7.350 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 374 10.752 -5.550 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 374 12.848 -4.919 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 374 13.698 -5.343 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 374 12.428 -3.383 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 374 11.757 -1.596 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 374 10.769 -3.061 -4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 374 12.063 -2.685 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 374 14.102 -1.768 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 374 14.497 -2.863 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 374 14.827 -3.359 -6.196 1.00 0.00 H new ATOM 374 N ASP A 375 12.143 -5.482 -7.987 1.00 0.00 N ATOM 375 CA ASP A 375 11.885 -5.166 -9.388 1.00 0.00 C ATOM 376 C ASP A 375 10.577 -5.797 -9.853 1.00 0.00 C ATOM 377 O ASP A 375 9.933 -5.301 -10.778 1.00 0.00 O ATOM 378 CB ASP A 375 13.041 -5.653 -10.263 1.00 0.00 C ATOM 379 CG ASP A 375 14.319 -4.874 -10.021 1.00 0.00 C ATOM 380 OD1 ASP A 375 14.493 -3.810 -10.652 1.00 0.00 O ATOM 381 OD2 ASP A 375 15.144 -5.328 -9.202 1.00 0.00 O ATOM 0 H ASP A 375 13.099 -5.778 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 375 11.800 -4.083 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 375 13.221 -6.710 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 375 12.760 -5.567 -11.313 1.00 0.00 H new ATOM 386 N ASP A 376 10.192 -6.893 -9.209 1.00 0.00 N ATOM 387 CA ASP A 376 8.960 -7.592 -9.558 1.00 0.00 C ATOM 388 C ASP A 376 7.739 -6.809 -9.084 1.00 0.00 C ATOM 389 O ASP A 376 6.705 -6.784 -9.755 1.00 0.00 O ATOM 390 CB ASP A 376 8.953 -8.993 -8.945 1.00 0.00 C ATOM 391 CG ASP A 376 9.832 -9.964 -9.710 1.00 0.00 C ATOM 392 OD1 ASP A 376 10.786 -9.505 -10.371 1.00 0.00 O ATOM 393 OD2 ASP A 376 9.565 -11.181 -9.645 1.00 0.00 O ATOM 0 H ASP A 376 10.715 -7.317 -8.443 1.00 0.00 H new ATOM 0 HA ASP A 376 8.915 -7.679 -10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 376 9.294 -8.936 -7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 376 7.931 -9.372 -8.923 1.00 0.00 H new ATOM 398 N LEU A 377 7.864 -6.172 -7.925 1.00 0.00 N ATOM 399 CA LEU A 377 6.770 -5.390 -7.361 1.00 0.00 C ATOM 400 C LEU A 377 6.795 -3.959 -7.888 1.00 0.00 C ATOM 401 O LEU A 377 5.766 -3.287 -7.935 1.00 0.00 O ATOM 402 CB LEU A 377 6.856 -5.384 -5.833 1.00 0.00 C ATOM 403 CG LEU A 377 6.652 -6.733 -5.144 1.00 0.00 C ATOM 404 CD1 LEU A 377 6.750 -6.582 -3.634 1.00 0.00 C ATOM 405 CD2 LEU A 377 5.311 -7.335 -5.535 1.00 0.00 C ATOM 0 H LEU A 377 8.712 -6.182 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 377 5.831 -5.853 -7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 377 7.833 -4.996 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 377 6.111 -4.687 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 377 7.441 -7.409 -5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 377 6.602 -7.553 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 377 7.735 -6.196 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 377 5.984 -5.889 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.183 -8.295 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.508 -6.661 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.279 -7.481 -6.615 1.00 0.00 H new ATOM 417 N ALA A 378 7.977 -3.502 -8.287 1.00 0.00 N ATOM 418 CA ALA A 378 8.135 -2.153 -8.816 1.00 0.00 C ATOM 419 C ALA A 378 7.491 -2.024 -10.193 1.00 0.00 C ATOM 420 O ALA A 378 6.941 -0.978 -10.535 1.00 0.00 O ATOM 421 CB ALA A 378 9.609 -1.782 -8.884 1.00 0.00 C ATOM 0 H ALA A 378 8.839 -4.046 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 378 7.629 -1.463 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 378 9.712 -0.772 -9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 378 10.041 -1.825 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 378 10.131 -2.483 -9.536 1.00 0.00 H new ATOM 427 N ASP A 379 7.566 -3.093 -10.978 1.00 0.00 N ATOM 428 CA ASP A 379 6.990 -3.099 -12.318 1.00 0.00 C ATOM 429 C ASP A 379 5.535 -3.559 -12.282 1.00 0.00 C ATOM 430 O ASP A 379 4.793 -3.377 -13.247 1.00 0.00 O ATOM 431 CB ASP A 379 7.803 -4.009 -13.241 1.00 0.00 C ATOM 432 CG ASP A 379 7.563 -3.707 -14.708 1.00 0.00 C ATOM 433 OD1 ASP A 379 7.844 -2.567 -15.133 1.00 0.00 O ATOM 434 OD2 ASP A 379 7.095 -4.612 -15.429 1.00 0.00 O ATOM 0 H ASP A 379 8.020 -3.966 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 379 7.021 -2.081 -12.705 1.00 0.00 H new ATOM 0 HB2 ASP A 379 8.864 -3.894 -13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 379 7.546 -5.049 -13.040 1.00 0.00 H new ATOM 439 N PHE A 380 5.137 -4.156 -11.163 1.00 0.00 N ATOM 440 CA PHE A 380 3.772 -4.643 -11.003 1.00 0.00 C ATOM 441 C PHE A 380 2.888 -3.584 -10.350 1.00 0.00 C ATOM 442 O PHE A 380 1.748 -3.371 -10.761 1.00 0.00 O ATOM 443 CB PHE A 380 3.760 -5.921 -10.162 1.00 0.00 C ATOM 444 CG PHE A 380 2.390 -6.313 -9.684 1.00 0.00 C ATOM 445 CD1 PHE A 380 1.456 -6.829 -10.567 1.00 0.00 C ATOM 446 CD2 PHE A 380 2.038 -6.164 -8.353 1.00 0.00 C ATOM 447 CE1 PHE A 380 0.195 -7.190 -10.132 1.00 0.00 C ATOM 448 CE2 PHE A 380 0.779 -6.524 -7.910 1.00 0.00 C ATOM 449 CZ PHE A 380 -0.144 -7.036 -8.801 1.00 0.00 C ATOM 0 H PHE A 380 5.739 -4.314 -10.355 1.00 0.00 H new ATOM 0 HA PHE A 380 3.374 -4.863 -11.993 1.00 0.00 H new ATOM 0 HB2 PHE A 380 4.178 -6.738 -10.751 1.00 0.00 H new ATOM 0 HB3 PHE A 380 4.412 -5.784 -9.299 1.00 0.00 H new ATOM 0 HD1 PHE A 380 1.716 -6.951 -11.608 1.00 0.00 H new ATOM 0 HD2 PHE A 380 2.755 -5.762 -7.653 1.00 0.00 H new ATOM 0 HE1 PHE A 380 -0.524 -7.592 -10.831 1.00 0.00 H new ATOM 0 HE2 PHE A 380 0.517 -6.405 -6.869 1.00 0.00 H new ATOM 0 HZ PHE A 380 -1.129 -7.316 -8.458 1.00 0.00 H new ATOM 459 N PHE A 381 3.425 -2.922 -9.330 1.00 0.00 N ATOM 460 CA PHE A 381 2.686 -1.886 -8.618 1.00 0.00 C ATOM 461 C PHE A 381 2.555 -0.627 -9.471 1.00 0.00 C ATOM 462 O PHE A 381 1.661 0.191 -9.258 1.00 0.00 O ATOM 463 CB PHE A 381 3.382 -1.549 -7.298 1.00 0.00 C ATOM 464 CG PHE A 381 3.089 -2.531 -6.198 1.00 0.00 C ATOM 465 CD1 PHE A 381 1.784 -2.802 -5.823 1.00 0.00 C ATOM 466 CD2 PHE A 381 4.121 -3.182 -5.540 1.00 0.00 C ATOM 467 CE1 PHE A 381 1.511 -3.705 -4.813 1.00 0.00 C ATOM 468 CE2 PHE A 381 3.854 -4.085 -4.529 1.00 0.00 C ATOM 469 CZ PHE A 381 2.548 -4.346 -4.164 1.00 0.00 C ATOM 0 H PHE A 381 4.369 -3.085 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 381 1.687 -2.268 -8.408 1.00 0.00 H new ATOM 0 HB2 PHE A 381 4.459 -1.511 -7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 381 3.074 -0.554 -6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 381 0.970 -2.302 -6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 381 5.144 -2.981 -5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 381 0.488 -3.909 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 381 4.666 -4.587 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 381 2.338 -5.050 -3.372 1.00 0.00 H new ATOM 479 N LYS A 382 3.454 -0.480 -10.439 1.00 0.00 N ATOM 480 CA LYS A 382 3.441 0.676 -11.326 1.00 0.00 C ATOM 481 C LYS A 382 2.228 0.639 -12.250 1.00 0.00 C ATOM 482 O LYS A 382 1.988 1.577 -13.011 1.00 0.00 O ATOM 483 CB LYS A 382 4.727 0.723 -12.156 1.00 0.00 C ATOM 484 CG LYS A 382 4.795 -0.347 -13.232 1.00 0.00 C ATOM 485 CD LYS A 382 5.707 0.069 -14.374 1.00 0.00 C ATOM 486 CE LYS A 382 5.008 1.030 -15.322 1.00 0.00 C ATOM 487 NZ LYS A 382 4.055 0.326 -16.224 1.00 0.00 N ATOM 0 H LYS A 382 4.201 -1.148 -10.629 1.00 0.00 H new ATOM 0 HA LYS A 382 3.380 1.574 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.812 1.704 -12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 382 5.583 0.613 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 382 5.156 -1.279 -12.797 1.00 0.00 H new ATOM 0 HG3 LYS A 382 3.794 -0.542 -13.617 1.00 0.00 H new ATOM 0 HD2 LYS A 382 6.604 0.540 -13.972 1.00 0.00 H new ATOM 0 HD3 LYS A 382 6.031 -0.815 -14.923 1.00 0.00 H new ATOM 0 HE2 LYS A 382 4.472 1.784 -14.745 1.00 0.00 H new ATOM 0 HE3 LYS A 382 5.752 1.556 -15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 3.663 1.002 -16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 4.553 -0.433 -16.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 3.282 -0.084 -15.661 1.00 0.00 H new ATOM 501 N GLN A 383 1.467 -0.448 -12.178 1.00 0.00 N ATOM 502 CA GLN A 383 0.280 -0.606 -13.008 1.00 0.00 C ATOM 503 C GLN A 383 -0.683 0.560 -12.807 1.00 0.00 C ATOM 504 O GLN A 383 -1.001 1.284 -13.752 1.00 0.00 O ATOM 505 CB GLN A 383 -0.425 -1.925 -12.683 1.00 0.00 C ATOM 506 CG GLN A 383 0.201 -3.132 -13.361 1.00 0.00 C ATOM 507 CD GLN A 383 -0.681 -4.362 -13.295 1.00 0.00 C ATOM 508 OE1 GLN A 383 -1.901 -4.259 -13.155 1.00 0.00 O ATOM 509 NE2 GLN A 383 -0.070 -5.536 -13.395 1.00 0.00 N ATOM 0 H GLN A 383 1.652 -1.232 -11.553 1.00 0.00 H new ATOM 0 HA GLN A 383 0.596 -0.618 -14.051 1.00 0.00 H new ATOM 0 HB2 GLN A 383 -0.413 -2.078 -11.604 1.00 0.00 H new ATOM 0 HB3 GLN A 383 -1.470 -1.852 -12.983 1.00 0.00 H new ATOM 0 HG2 GLN A 383 0.406 -2.892 -14.404 1.00 0.00 H new ATOM 0 HG3 GLN A 383 1.159 -3.351 -12.891 1.00 0.00 H new ATOM 0 HE21 GLN A 383 0.943 -5.576 -13.510 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -0.613 -6.399 -13.357 1.00 0.00 H new ATOM 518 N CYS A 384 -1.143 0.737 -11.574 1.00 0.00 N ATOM 519 CA CYS A 384 -2.070 1.815 -11.250 1.00 0.00 C ATOM 520 C CYS A 384 -1.526 3.160 -11.723 1.00 0.00 C ATOM 521 O CYS A 384 -2.109 3.806 -12.592 1.00 0.00 O ATOM 522 CB CYS A 384 -2.331 1.858 -9.744 1.00 0.00 C ATOM 523 SG CYS A 384 -3.908 2.615 -9.288 1.00 0.00 S ATOM 0 H CYS A 384 -0.889 0.147 -10.781 1.00 0.00 H new ATOM 0 HA CYS A 384 -3.009 1.620 -11.768 1.00 0.00 H new ATOM 0 HB2 CYS A 384 -2.302 0.841 -9.352 1.00 0.00 H new ATOM 0 HB3 CYS A 384 -1.523 2.409 -9.262 1.00 0.00 H new ATOM 0 HG CYS A 384 -4.879 1.984 -9.878 1.00 0.00 H new ATOM 529 N GLY A 385 -0.405 3.576 -11.141 1.00 0.00 N ATOM 530 CA GLY A 385 0.197 4.843 -11.513 1.00 0.00 C ATOM 531 C GLY A 385 1.708 4.760 -11.609 1.00 0.00 C ATOM 532 O GLY A 385 2.247 3.943 -12.356 1.00 0.00 O ATOM 0 H GLY A 385 0.096 3.059 -10.419 1.00 0.00 H new ATOM 0 HA2 GLY A 385 -0.208 5.167 -12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 385 -0.076 5.601 -10.779 1.00 0.00 H new ATOM 536 N VAL A 386 2.395 5.609 -10.851 1.00 0.00 N ATOM 537 CA VAL A 386 3.853 5.629 -10.854 1.00 0.00 C ATOM 538 C VAL A 386 4.407 5.473 -9.442 1.00 0.00 C ATOM 539 O VAL A 386 3.975 6.157 -8.514 1.00 0.00 O ATOM 540 CB VAL A 386 4.395 6.936 -11.464 1.00 0.00 C ATOM 541 CG1 VAL A 386 5.912 6.985 -11.359 1.00 0.00 C ATOM 542 CG2 VAL A 386 3.947 7.072 -12.911 1.00 0.00 C ATOM 0 H VAL A 386 1.965 6.292 -10.227 1.00 0.00 H new ATOM 0 HA VAL A 386 4.180 4.788 -11.465 1.00 0.00 H new ATOM 0 HB VAL A 386 3.989 7.777 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 386 6.277 7.915 -11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 386 6.206 6.936 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 386 6.341 6.139 -11.896 1.00 0.00 H new ATOM 0 HG21 VAL A 386 4.338 8.000 -13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 386 4.323 6.228 -13.489 1.00 0.00 H new ATOM 0 HG23 VAL A 386 2.858 7.085 -12.955 1.00 0.00 H new ATOM 552 N VAL A 387 5.367 4.567 -9.286 1.00 0.00 N ATOM 553 CA VAL A 387 5.983 4.320 -7.988 1.00 0.00 C ATOM 554 C VAL A 387 7.079 5.339 -7.697 1.00 0.00 C ATOM 555 O VAL A 387 8.034 5.474 -8.462 1.00 0.00 O ATOM 556 CB VAL A 387 6.580 2.903 -7.909 1.00 0.00 C ATOM 557 CG1 VAL A 387 7.221 2.668 -6.550 1.00 0.00 C ATOM 558 CG2 VAL A 387 5.510 1.858 -8.192 1.00 0.00 C ATOM 0 H VAL A 387 5.735 3.991 -10.043 1.00 0.00 H new ATOM 0 HA VAL A 387 5.195 4.415 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 387 7.355 2.811 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 387 7.637 1.661 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 387 8.017 3.396 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.469 2.778 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 387 5.949 0.862 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 387 4.711 1.947 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 387 5.103 2.015 -9.191 1.00 0.00 H new ATOM 568 N LYS A 388 6.935 6.054 -6.587 1.00 0.00 N ATOM 569 CA LYS A 388 7.914 7.060 -6.192 1.00 0.00 C ATOM 570 C LYS A 388 9.332 6.511 -6.301 1.00 0.00 C ATOM 571 O LYS A 388 9.734 5.646 -5.523 1.00 0.00 O ATOM 572 CB LYS A 388 7.644 7.530 -4.760 1.00 0.00 C ATOM 573 CG LYS A 388 8.405 8.788 -4.380 1.00 0.00 C ATOM 574 CD LYS A 388 7.661 9.590 -3.325 1.00 0.00 C ATOM 575 CE LYS A 388 8.277 10.969 -3.137 1.00 0.00 C ATOM 576 NZ LYS A 388 8.132 11.813 -4.354 1.00 0.00 N ATOM 0 H LYS A 388 6.149 5.956 -5.944 1.00 0.00 H new ATOM 0 HA LYS A 388 7.820 7.909 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.576 7.712 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.910 6.731 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 388 9.392 8.518 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 388 8.558 9.404 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.615 9.694 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.677 9.051 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 388 7.802 11.467 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 388 9.334 10.864 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 8.260 12.813 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 8.851 11.539 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 7.184 11.677 -4.760 1.00 0.00 H new ATOM 590 N MET A 389 10.087 7.022 -7.268 1.00 0.00 N ATOM 591 CA MET A 389 11.463 6.583 -7.475 1.00 0.00 C ATOM 592 C MET A 389 12.449 7.662 -7.040 1.00 0.00 C ATOM 593 O MET A 389 12.338 8.818 -7.447 1.00 0.00 O ATOM 594 CB MET A 389 11.692 6.230 -8.946 1.00 0.00 C ATOM 595 CG MET A 389 11.110 4.884 -9.346 1.00 0.00 C ATOM 596 SD MET A 389 11.966 4.147 -10.752 1.00 0.00 S ATOM 597 CE MET A 389 13.561 3.783 -10.024 1.00 0.00 C ATOM 0 H MET A 389 9.770 7.740 -7.920 1.00 0.00 H new ATOM 0 HA MET A 389 11.631 5.695 -6.865 1.00 0.00 H new ATOM 0 HB2 MET A 389 11.251 7.007 -9.570 1.00 0.00 H new ATOM 0 HB3 MET A 389 12.763 6.228 -9.148 1.00 0.00 H new ATOM 0 HG2 MET A 389 11.162 4.203 -8.496 1.00 0.00 H new ATOM 0 HG3 MET A 389 10.055 5.007 -9.592 1.00 0.00 H new ATOM 0 HE1 MET A 389 14.343 4.291 -10.588 1.00 0.00 H new ATOM 0 HE2 MET A 389 13.577 4.128 -8.990 1.00 0.00 H new ATOM 0 HE3 MET A 389 13.736 2.707 -10.050 1.00 0.00 H new ATOM 607 N ASN A 390 13.413 7.277 -6.209 1.00 0.00 N ATOM 608 CA ASN A 390 14.417 8.213 -5.718 1.00 0.00 C ATOM 609 C ASN A 390 15.123 8.911 -6.877 1.00 0.00 C ATOM 610 O ASN A 390 15.305 8.331 -7.947 1.00 0.00 O ATOM 611 CB ASN A 390 15.441 7.482 -4.847 1.00 0.00 C ATOM 612 CG ASN A 390 16.027 8.376 -3.771 1.00 0.00 C ATOM 613 OD1 ASN A 390 15.875 9.597 -3.812 1.00 0.00 O ATOM 614 ND2 ASN A 390 16.700 7.769 -2.800 1.00 0.00 N ATOM 0 H ASN A 390 13.519 6.324 -5.862 1.00 0.00 H new ATOM 0 HA ASN A 390 13.912 8.969 -5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 390 14.967 6.619 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 390 16.245 7.102 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 390 17.116 8.318 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 390 16.801 6.754 -2.807 1.00 0.00 H new ATOM 621 N LYS A 391 15.520 10.160 -6.655 1.00 0.00 N ATOM 622 CA LYS A 391 16.208 10.938 -7.678 1.00 0.00 C ATOM 623 C LYS A 391 17.721 10.836 -7.513 1.00 0.00 C ATOM 624 O LYS A 391 18.478 11.196 -8.415 1.00 0.00 O ATOM 625 CB LYS A 391 15.774 12.404 -7.611 1.00 0.00 C ATOM 626 CG LYS A 391 16.164 13.094 -6.315 1.00 0.00 C ATOM 627 CD LYS A 391 17.543 13.727 -6.415 1.00 0.00 C ATOM 628 CE LYS A 391 17.469 15.135 -6.986 1.00 0.00 C ATOM 629 NZ LYS A 391 18.756 15.547 -7.612 1.00 0.00 N ATOM 0 H LYS A 391 15.377 10.655 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 391 15.938 10.530 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 391 16.217 12.944 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 391 14.692 12.460 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 391 15.427 13.860 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 391 16.152 12.372 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 391 18.003 13.757 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 391 18.183 13.110 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 391 16.672 15.185 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 391 17.210 15.836 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 18.665 16.512 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 19.512 15.524 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 18.990 14.893 -8.386 1.00 0.00 H new ATOM 643 N ARG A 392 18.154 10.342 -6.358 1.00 0.00 N ATOM 644 CA ARG A 392 19.577 10.193 -6.076 1.00 0.00 C ATOM 645 C ARG A 392 20.019 8.745 -6.265 1.00 0.00 C ATOM 646 O ARG A 392 21.043 8.473 -6.894 1.00 0.00 O ATOM 647 CB ARG A 392 19.886 10.650 -4.649 1.00 0.00 C ATOM 648 CG ARG A 392 18.995 10.008 -3.598 1.00 0.00 C ATOM 649 CD ARG A 392 19.366 10.470 -2.197 1.00 0.00 C ATOM 650 NE ARG A 392 20.539 9.770 -1.682 1.00 0.00 N ATOM 651 CZ ARG A 392 21.143 10.087 -0.542 1.00 0.00 C ATOM 652 NH1 ARG A 392 20.685 11.088 0.199 1.00 0.00 N ATOM 653 NH2 ARG A 392 22.205 9.402 -0.140 1.00 0.00 N ATOM 0 H ARG A 392 17.540 10.038 -5.602 1.00 0.00 H new ATOM 0 HA ARG A 392 20.129 10.818 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 392 20.927 10.421 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 392 19.778 11.733 -4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 392 17.953 10.257 -3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 392 19.081 8.923 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 392 19.560 11.542 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 392 18.523 10.306 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 392 20.916 8.995 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 392 19.867 11.616 -0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 392 21.151 11.329 1.074 1.00 0.00 H new ATOM 0 HH21 ARG A 392 22.559 8.631 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 392 22.668 9.646 0.735 1.00 0.00 H new ATOM 667 N THR A 393 19.242 7.816 -5.717 1.00 0.00 N ATOM 668 CA THR A 393 19.554 6.397 -5.823 1.00 0.00 C ATOM 669 C THR A 393 18.880 5.776 -7.041 1.00 0.00 C ATOM 670 O THR A 393 19.282 4.712 -7.510 1.00 0.00 O ATOM 671 CB THR A 393 19.115 5.629 -4.561 1.00 0.00 C ATOM 672 OG1 THR A 393 17.704 5.775 -4.365 1.00 0.00 O ATOM 673 CG2 THR A 393 19.857 6.136 -3.334 1.00 0.00 C ATOM 0 H THR A 393 18.391 8.022 -5.194 1.00 0.00 H new ATOM 0 HA THR A 393 20.636 6.318 -5.929 1.00 0.00 H new ATOM 0 HB THR A 393 19.355 4.575 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 393 17.379 5.057 -3.783 1.00 0.00 H new ATOM 0 HG21 THR A 393 19.531 5.579 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 393 20.929 5.997 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 393 19.644 7.195 -3.192 1.00 0.00 H new ATOM 681 N GLY A 394 17.853 6.449 -7.552 1.00 0.00 N ATOM 682 CA GLY A 394 17.142 5.948 -8.713 1.00 0.00 C ATOM 683 C GLY A 394 16.425 4.641 -8.434 1.00 0.00 C ATOM 684 O GLY A 394 16.091 3.900 -9.358 1.00 0.00 O ATOM 0 H GLY A 394 17.501 7.332 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 394 16.418 6.693 -9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 394 17.846 5.805 -9.533 1.00 0.00 H new ATOM 688 N GLN A 395 16.191 4.358 -7.157 1.00 0.00 N ATOM 689 CA GLN A 395 15.511 3.130 -6.760 1.00 0.00 C ATOM 690 C GLN A 395 14.095 3.424 -6.275 1.00 0.00 C ATOM 691 O GLN A 395 13.796 4.510 -5.778 1.00 0.00 O ATOM 692 CB GLN A 395 16.301 2.418 -5.661 1.00 0.00 C ATOM 693 CG GLN A 395 17.755 2.161 -6.026 1.00 0.00 C ATOM 694 CD GLN A 395 18.342 0.976 -5.285 1.00 0.00 C ATOM 695 OE1 GLN A 395 18.946 1.130 -4.223 1.00 0.00 O ATOM 696 NE2 GLN A 395 18.168 -0.216 -5.842 1.00 0.00 N ATOM 0 H GLN A 395 16.462 4.961 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 395 15.449 2.480 -7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 395 16.264 3.018 -4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 395 15.818 1.467 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 395 17.831 1.987 -7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 395 18.344 3.051 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 395 17.661 -0.298 -6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 395 18.541 -1.050 -5.389 1.00 0.00 H new ATOM 705 N PRO A 396 13.202 2.434 -6.421 1.00 0.00 N ATOM 706 CA PRO A 396 11.803 2.563 -6.004 1.00 0.00 C ATOM 707 C PRO A 396 11.651 2.607 -4.488 1.00 0.00 C ATOM 708 O PRO A 396 12.423 1.983 -3.760 1.00 0.00 O ATOM 709 CB PRO A 396 11.146 1.302 -6.570 1.00 0.00 C ATOM 710 CG PRO A 396 12.256 0.314 -6.683 1.00 0.00 C ATOM 711 CD PRO A 396 13.489 1.113 -7.004 1.00 0.00 C ATOM 0 HA PRO A 396 11.356 3.491 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 396 10.357 0.937 -5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 396 10.688 1.496 -7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 396 12.381 -0.241 -5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 396 12.050 -0.417 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 396 14.382 0.666 -6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 396 13.658 1.176 -8.079 1.00 0.00 H new ATOM 719 N MET A 397 10.652 3.347 -4.018 1.00 0.00 N ATOM 720 CA MET A 397 10.399 3.471 -2.587 1.00 0.00 C ATOM 721 C MET A 397 9.617 2.270 -2.068 1.00 0.00 C ATOM 722 O MET A 397 8.704 2.417 -1.255 1.00 0.00 O ATOM 723 CB MET A 397 9.633 4.761 -2.292 1.00 0.00 C ATOM 724 CG MET A 397 10.403 6.021 -2.649 1.00 0.00 C ATOM 725 SD MET A 397 11.404 6.634 -1.281 1.00 0.00 S ATOM 726 CE MET A 397 13.046 6.536 -1.991 1.00 0.00 C ATOM 0 H MET A 397 10.004 3.870 -4.607 1.00 0.00 H new ATOM 0 HA MET A 397 11.361 3.504 -2.075 1.00 0.00 H new ATOM 0 HB2 MET A 397 8.694 4.750 -2.845 1.00 0.00 H new ATOM 0 HB3 MET A 397 9.379 4.789 -1.232 1.00 0.00 H new ATOM 0 HG2 MET A 397 11.048 5.818 -3.504 1.00 0.00 H new ATOM 0 HG3 MET A 397 9.701 6.796 -2.956 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.779 6.883 -1.262 1.00 0.00 H new ATOM 0 HE2 MET A 397 13.264 5.503 -2.262 1.00 0.00 H new ATOM 0 HE3 MET A 397 13.095 7.163 -2.882 1.00 0.00 H new ATOM 736 N ILE A 398 9.978 1.082 -2.543 1.00 0.00 N ATOM 737 CA ILE A 398 9.309 -0.143 -2.126 1.00 0.00 C ATOM 738 C ILE A 398 10.104 -0.861 -1.041 1.00 0.00 C ATOM 739 O ILE A 398 11.326 -0.989 -1.134 1.00 0.00 O ATOM 740 CB ILE A 398 9.099 -1.102 -3.312 1.00 0.00 C ATOM 741 CG1 ILE A 398 8.185 -0.460 -4.359 1.00 0.00 C ATOM 742 CG2 ILE A 398 8.514 -2.422 -2.830 1.00 0.00 C ATOM 743 CD1 ILE A 398 8.038 -1.284 -5.619 1.00 0.00 C ATOM 0 H ILE A 398 10.731 0.943 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 398 8.337 0.148 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 398 10.066 -1.302 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 398 7.199 -0.302 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 398 8.579 0.522 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 398 8.372 -3.089 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 398 9.197 -2.884 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 398 7.554 -2.240 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 398 7.377 -0.769 -6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 398 9.016 -1.421 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 398 7.615 -2.257 -5.370 1.00 0.00 H new ATOM 755 N HIS A 399 9.404 -1.332 -0.013 1.00 0.00 N ATOM 756 CA HIS A 399 10.045 -2.040 1.089 1.00 0.00 C ATOM 757 C HIS A 399 9.573 -3.490 1.150 1.00 0.00 C ATOM 758 O HIS A 399 8.387 -3.774 0.979 1.00 0.00 O ATOM 759 CB HIS A 399 9.749 -1.339 2.415 1.00 0.00 C ATOM 760 CG HIS A 399 10.838 -1.493 3.431 1.00 0.00 C ATOM 761 ND1 HIS A 399 12.002 -0.755 3.404 1.00 0.00 N ATOM 762 CD2 HIS A 399 10.935 -2.308 4.507 1.00 0.00 C ATOM 763 CE1 HIS A 399 12.768 -1.109 4.421 1.00 0.00 C ATOM 764 NE2 HIS A 399 12.143 -2.050 5.105 1.00 0.00 N ATOM 0 H HIS A 399 8.393 -1.236 0.079 1.00 0.00 H new ATOM 0 HA HIS A 399 11.121 -2.033 0.916 1.00 0.00 H new ATOM 0 HB2 HIS A 399 9.587 -0.278 2.227 1.00 0.00 H new ATOM 0 HB3 HIS A 399 8.821 -1.735 2.827 1.00 0.00 H new ATOM 0 HD2 HIS A 399 10.199 -3.027 4.834 1.00 0.00 H new ATOM 0 HE1 HIS A 399 13.740 -0.699 4.653 1.00 0.00 H new ATOM 0 HE2 HIS A 399 12.500 -2.510 5.942 1.00 0.00 H new ATOM 772 N ILE A 400 10.508 -4.402 1.393 1.00 0.00 N ATOM 773 CA ILE A 400 10.187 -5.821 1.476 1.00 0.00 C ATOM 774 C ILE A 400 10.858 -6.466 2.685 1.00 0.00 C ATOM 775 O ILE A 400 12.009 -6.896 2.613 1.00 0.00 O ATOM 776 CB ILE A 400 10.618 -6.572 0.203 1.00 0.00 C ATOM 777 CG1 ILE A 400 9.919 -5.983 -1.024 1.00 0.00 C ATOM 778 CG2 ILE A 400 10.310 -8.056 0.333 1.00 0.00 C ATOM 779 CD1 ILE A 400 10.321 -6.644 -2.324 1.00 0.00 C ATOM 0 H ILE A 400 11.494 -4.183 1.536 1.00 0.00 H new ATOM 0 HA ILE A 400 9.105 -5.894 1.581 1.00 0.00 H new ATOM 0 HB ILE A 400 11.694 -6.454 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 400 8.840 -6.076 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 400 10.143 -4.918 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 400 10.621 -8.573 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 400 10.850 -8.466 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 400 9.239 -8.194 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 400 9.787 -6.176 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 400 11.394 -6.529 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 400 10.072 -7.704 -2.285 1.00 0.00 H new ATOM 791 N TYR A 401 10.128 -6.532 3.793 1.00 0.00 N ATOM 792 CA TYR A 401 10.652 -7.124 5.018 1.00 0.00 C ATOM 793 C TYR A 401 11.043 -8.581 4.795 1.00 0.00 C ATOM 794 O TYR A 401 10.218 -9.403 4.392 1.00 0.00 O ATOM 795 CB TYR A 401 9.615 -7.028 6.139 1.00 0.00 C ATOM 796 CG TYR A 401 8.956 -5.671 6.240 1.00 0.00 C ATOM 797 CD1 TYR A 401 7.894 -5.330 5.411 1.00 0.00 C ATOM 798 CD2 TYR A 401 9.395 -4.730 7.163 1.00 0.00 C ATOM 799 CE1 TYR A 401 7.289 -4.092 5.499 1.00 0.00 C ATOM 800 CE2 TYR A 401 8.795 -3.490 7.259 1.00 0.00 C ATOM 801 CZ TYR A 401 7.743 -3.175 6.424 1.00 0.00 C ATOM 802 OH TYR A 401 7.143 -1.940 6.517 1.00 0.00 O ATOM 0 H TYR A 401 9.172 -6.183 3.868 1.00 0.00 H new ATOM 0 HA TYR A 401 11.544 -6.568 5.308 1.00 0.00 H new ATOM 0 HB2 TYR A 401 8.847 -7.784 5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 401 10.097 -7.260 7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 401 7.536 -6.046 4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 401 10.220 -4.972 7.817 1.00 0.00 H new ATOM 0 HE1 TYR A 401 6.465 -3.843 4.847 1.00 0.00 H new ATOM 0 HE2 TYR A 401 9.147 -2.771 7.984 1.00 0.00 H new ATOM 0 HH TYR A 401 7.582 -1.415 7.219 1.00 0.00 H new ATOM 812 N LEU A 402 12.306 -8.895 5.061 1.00 0.00 N ATOM 813 CA LEU A 402 12.808 -10.254 4.890 1.00 0.00 C ATOM 814 C LEU A 402 13.024 -10.929 6.240 1.00 0.00 C ATOM 815 O LEU A 402 13.558 -10.323 7.171 1.00 0.00 O ATOM 816 CB LEU A 402 14.118 -10.239 4.100 1.00 0.00 C ATOM 817 CG LEU A 402 14.091 -9.488 2.769 1.00 0.00 C ATOM 818 CD1 LEU A 402 15.482 -9.438 2.155 1.00 0.00 C ATOM 819 CD2 LEU A 402 13.106 -10.139 1.809 1.00 0.00 C ATOM 0 H LEU A 402 13.001 -8.228 5.396 1.00 0.00 H new ATOM 0 HA LEU A 402 12.062 -10.823 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 402 14.892 -9.798 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 402 14.414 -11.270 3.906 1.00 0.00 H new ATOM 0 HG LEU A 402 13.763 -8.466 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 402 15.443 -8.900 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 402 16.162 -8.926 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 402 15.839 -10.453 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 402 13.100 -9.591 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 402 13.404 -11.171 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 402 12.107 -10.121 2.245 1.00 0.00 H new ATOM 831 N ASP A 403 12.606 -12.186 6.342 1.00 0.00 N ATOM 832 CA ASP A 403 12.756 -12.945 7.578 1.00 0.00 C ATOM 833 C ASP A 403 14.211 -12.961 8.032 1.00 0.00 C ATOM 834 O ASP A 403 15.106 -13.338 7.275 1.00 0.00 O ATOM 835 CB ASP A 403 12.252 -14.377 7.387 1.00 0.00 C ATOM 836 CG ASP A 403 11.684 -14.966 8.663 1.00 0.00 C ATOM 837 OD1 ASP A 403 12.458 -15.572 9.432 1.00 0.00 O ATOM 838 OD2 ASP A 403 10.465 -14.820 8.892 1.00 0.00 O ATOM 0 H ASP A 403 12.160 -12.701 5.583 1.00 0.00 H new ATOM 0 HA ASP A 403 12.159 -12.458 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 403 11.485 -14.389 6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 403 13.071 -15.003 7.034 1.00 0.00 H new ATOM 843 N LYS A 404 14.443 -12.550 9.274 1.00 0.00 N ATOM 844 CA LYS A 404 15.790 -12.516 9.832 1.00 0.00 C ATOM 845 C LYS A 404 16.288 -13.926 10.134 1.00 0.00 C ATOM 846 O LYS A 404 17.416 -14.110 10.590 1.00 0.00 O ATOM 847 CB LYS A 404 15.816 -11.671 11.106 1.00 0.00 C ATOM 848 CG LYS A 404 15.216 -12.370 12.313 1.00 0.00 C ATOM 849 CD LYS A 404 15.717 -11.767 13.615 1.00 0.00 C ATOM 850 CE LYS A 404 17.119 -12.252 13.950 1.00 0.00 C ATOM 851 NZ LYS A 404 17.135 -13.696 14.310 1.00 0.00 N ATOM 0 H LYS A 404 13.714 -12.235 9.914 1.00 0.00 H new ATOM 0 HA LYS A 404 16.452 -12.066 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 404 16.847 -11.399 11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 404 15.273 -10.743 10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 404 14.129 -12.298 12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 404 15.467 -13.430 12.282 1.00 0.00 H new ATOM 0 HD2 LYS A 404 15.716 -10.680 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 404 15.037 -12.030 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 404 17.775 -12.083 13.096 1.00 0.00 H new ATOM 0 HE3 LYS A 404 17.517 -11.667 14.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 17.434 -13.804 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 16.182 -14.094 14.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 17.801 -14.201 13.691 1.00 0.00 H new ATOM 865 N GLU A 405 15.440 -14.917 9.876 1.00 0.00 N ATOM 866 CA GLU A 405 15.797 -16.309 10.121 1.00 0.00 C ATOM 867 C GLU A 405 16.302 -16.975 8.844 1.00 0.00 C ATOM 868 O GLU A 405 17.215 -17.801 8.879 1.00 0.00 O ATOM 869 CB GLU A 405 14.592 -17.079 10.668 1.00 0.00 C ATOM 870 CG GLU A 405 13.749 -16.276 11.644 1.00 0.00 C ATOM 871 CD GLU A 405 14.248 -16.383 13.071 1.00 0.00 C ATOM 872 OE1 GLU A 405 14.402 -17.519 13.563 1.00 0.00 O ATOM 873 OE2 GLU A 405 14.486 -15.327 13.695 1.00 0.00 O ATOM 0 H GLU A 405 14.502 -14.782 9.498 1.00 0.00 H new ATOM 0 HA GLU A 405 16.598 -16.327 10.860 1.00 0.00 H new ATOM 0 HB2 GLU A 405 13.965 -17.396 9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 405 14.944 -17.984 11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 405 13.748 -15.229 11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 405 12.717 -16.623 11.597 1.00 0.00 H new ATOM 880 N THR A 406 15.701 -16.609 7.715 1.00 0.00 N ATOM 881 CA THR A 406 16.087 -17.170 6.427 1.00 0.00 C ATOM 882 C THR A 406 16.570 -16.081 5.475 1.00 0.00 C ATOM 883 O THR A 406 17.479 -16.300 4.676 1.00 0.00 O ATOM 884 CB THR A 406 14.918 -17.928 5.771 1.00 0.00 C ATOM 885 OG1 THR A 406 13.757 -17.092 5.724 1.00 0.00 O ATOM 886 CG2 THR A 406 14.601 -19.203 6.539 1.00 0.00 C ATOM 0 H THR A 406 14.945 -15.926 7.668 1.00 0.00 H new ATOM 0 HA THR A 406 16.901 -17.869 6.618 1.00 0.00 H new ATOM 0 HB THR A 406 15.212 -18.197 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 406 13.019 -17.581 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.772 -19.721 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 406 15.478 -19.850 6.548 1.00 0.00 H new ATOM 0 HG23 THR A 406 14.325 -18.952 7.563 1.00 0.00 H new ATOM 894 N GLY A 407 15.955 -14.906 5.568 1.00 0.00 N ATOM 895 CA GLY A 407 16.336 -13.800 4.709 1.00 0.00 C ATOM 896 C GLY A 407 15.392 -13.624 3.537 1.00 0.00 C ATOM 897 O GLY A 407 15.565 -12.717 2.722 1.00 0.00 O ATOM 0 H GLY A 407 15.200 -14.700 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.359 -12.881 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 407 17.347 -13.965 4.336 1.00 0.00 H new ATOM 901 N LYS A 408 14.391 -14.493 3.450 1.00 0.00 N ATOM 902 CA LYS A 408 13.415 -14.430 2.369 1.00 0.00 C ATOM 903 C LYS A 408 12.272 -13.482 2.722 1.00 0.00 C ATOM 904 O LYS A 408 11.985 -13.225 3.891 1.00 0.00 O ATOM 905 CB LYS A 408 12.861 -15.826 2.073 1.00 0.00 C ATOM 906 CG LYS A 408 13.828 -16.947 2.409 1.00 0.00 C ATOM 907 CD LYS A 408 13.348 -18.280 1.858 1.00 0.00 C ATOM 908 CE LYS A 408 12.344 -18.940 2.790 1.00 0.00 C ATOM 909 NZ LYS A 408 11.613 -20.052 2.121 1.00 0.00 N ATOM 0 H LYS A 408 14.234 -15.250 4.116 1.00 0.00 H new ATOM 0 HA LYS A 408 13.918 -14.049 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 408 11.940 -15.970 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 408 12.599 -15.888 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 408 14.811 -16.716 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 408 13.942 -17.019 3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 408 12.892 -18.127 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 408 14.201 -18.943 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 408 12.862 -19.323 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 408 11.630 -18.195 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 10.938 -20.476 2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 11.098 -19.682 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 12.292 -20.776 1.809 1.00 0.00 H new ATOM 923 N PRO A 409 11.602 -12.951 1.688 1.00 0.00 N ATOM 924 CA PRO A 409 10.479 -12.025 1.863 1.00 0.00 C ATOM 925 C PRO A 409 9.246 -12.714 2.436 1.00 0.00 C ATOM 926 O PRO A 409 8.413 -13.237 1.695 1.00 0.00 O ATOM 927 CB PRO A 409 10.204 -11.529 0.442 1.00 0.00 C ATOM 928 CG PRO A 409 10.707 -12.614 -0.444 1.00 0.00 C ATOM 929 CD PRO A 409 11.889 -13.214 0.268 1.00 0.00 C ATOM 0 HA PRO A 409 10.713 -11.228 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 409 9.140 -11.351 0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 409 10.717 -10.588 0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 409 9.935 -13.364 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 409 10.997 -12.220 -1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 409 11.979 -14.282 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 409 12.824 -12.751 -0.045 1.00 0.00 H new ATOM 937 N LYS A 410 9.132 -12.710 3.760 1.00 0.00 N ATOM 938 CA LYS A 410 7.998 -13.332 4.434 1.00 0.00 C ATOM 939 C LYS A 410 6.740 -13.245 3.574 1.00 0.00 C ATOM 940 O LYS A 410 6.040 -14.238 3.381 1.00 0.00 O ATOM 941 CB LYS A 410 7.752 -12.661 5.787 1.00 0.00 C ATOM 942 CG LYS A 410 7.964 -11.157 5.768 1.00 0.00 C ATOM 943 CD LYS A 410 8.243 -10.616 7.160 1.00 0.00 C ATOM 944 CE LYS A 410 6.970 -10.520 7.986 1.00 0.00 C ATOM 945 NZ LYS A 410 6.486 -11.861 8.417 1.00 0.00 N ATOM 0 H LYS A 410 9.812 -12.282 4.388 1.00 0.00 H new ATOM 0 HA LYS A 410 8.235 -14.384 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 410 6.732 -12.872 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.417 -13.104 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.797 -10.914 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 410 7.080 -10.669 5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.959 -11.264 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.703 -9.631 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 410 7.153 -9.900 8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 410 6.195 -10.024 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 6.185 -11.818 9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 5.681 -12.147 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 7.253 -12.556 8.317 1.00 0.00 H new ATOM 959 N GLY A 411 6.461 -12.052 3.060 1.00 0.00 N ATOM 960 CA GLY A 411 5.289 -11.859 2.227 1.00 0.00 C ATOM 961 C GLY A 411 4.714 -10.462 2.350 1.00 0.00 C ATOM 962 O GLY A 411 3.841 -10.072 1.575 1.00 0.00 O ATOM 0 H GLY A 411 7.026 -11.215 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 411 5.551 -12.050 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 411 4.527 -12.588 2.503 1.00 0.00 H new ATOM 966 N ASP A 412 5.201 -9.708 3.329 1.00 0.00 N ATOM 967 CA ASP A 412 4.728 -8.346 3.553 1.00 0.00 C ATOM 968 C ASP A 412 5.637 -7.336 2.862 1.00 0.00 C ATOM 969 O ASP A 412 6.817 -7.603 2.631 1.00 0.00 O ATOM 970 CB ASP A 412 4.657 -8.048 5.051 1.00 0.00 C ATOM 971 CG ASP A 412 6.024 -8.051 5.707 1.00 0.00 C ATOM 972 OD1 ASP A 412 6.990 -8.511 5.063 1.00 0.00 O ATOM 973 OD2 ASP A 412 6.127 -7.595 6.865 1.00 0.00 O ATOM 0 H ASP A 412 5.923 -10.016 3.980 1.00 0.00 H new ATOM 0 HA ASP A 412 3.729 -8.259 3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 412 4.186 -7.077 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 412 4.023 -8.790 5.536 1.00 0.00 H new ATOM 978 N ALA A 413 5.081 -6.173 2.535 1.00 0.00 N ATOM 979 CA ALA A 413 5.843 -5.122 1.872 1.00 0.00 C ATOM 980 C ALA A 413 5.072 -3.807 1.865 1.00 0.00 C ATOM 981 O ALA A 413 3.897 -3.760 2.234 1.00 0.00 O ATOM 982 CB ALA A 413 6.192 -5.538 0.450 1.00 0.00 C ATOM 0 H ALA A 413 4.106 -5.936 2.719 1.00 0.00 H new ATOM 0 HA ALA A 413 6.766 -4.970 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 413 6.761 -4.743 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 413 6.790 -6.449 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 413 5.275 -5.720 -0.111 1.00 0.00 H new ATOM 988 N THR A 414 5.740 -2.737 1.444 1.00 0.00 N ATOM 989 CA THR A 414 5.117 -1.419 1.391 1.00 0.00 C ATOM 990 C THR A 414 5.576 -0.644 0.162 1.00 0.00 C ATOM 991 O THR A 414 6.773 -0.516 -0.093 1.00 0.00 O ATOM 992 CB THR A 414 5.436 -0.596 2.653 1.00 0.00 C ATOM 993 OG1 THR A 414 6.746 -0.922 3.132 1.00 0.00 O ATOM 994 CG2 THR A 414 4.412 -0.859 3.746 1.00 0.00 C ATOM 0 H THR A 414 6.712 -2.757 1.135 1.00 0.00 H new ATOM 0 HA THR A 414 4.040 -1.580 1.334 1.00 0.00 H new ATOM 0 HB THR A 414 5.398 0.461 2.389 1.00 0.00 H new ATOM 0 HG1 THR A 414 6.942 -0.393 3.934 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.659 -0.266 4.627 1.00 0.00 H new ATOM 0 HG22 THR A 414 3.420 -0.582 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 414 4.422 -1.917 4.007 1.00 0.00 H new ATOM 1002 N VAL A 415 4.615 -0.125 -0.598 1.00 0.00 N ATOM 1003 CA VAL A 415 4.920 0.639 -1.800 1.00 0.00 C ATOM 1004 C VAL A 415 4.542 2.106 -1.629 1.00 0.00 C ATOM 1005 O VAL A 415 3.373 2.436 -1.424 1.00 0.00 O ATOM 1006 CB VAL A 415 4.187 0.071 -3.029 1.00 0.00 C ATOM 1007 CG1 VAL A 415 4.519 0.882 -4.272 1.00 0.00 C ATOM 1008 CG2 VAL A 415 4.542 -1.395 -3.229 1.00 0.00 C ATOM 0 H VAL A 415 3.619 -0.221 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 415 5.995 0.560 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 415 3.113 0.142 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 415 3.992 0.465 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 415 4.211 1.917 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 415 5.593 0.846 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 415 4.015 -1.781 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 415 5.617 -1.492 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 415 4.248 -1.964 -2.347 1.00 0.00 H new ATOM 1018 N SER A 416 5.536 2.984 -1.716 1.00 0.00 N ATOM 1019 CA SER A 416 5.308 4.416 -1.568 1.00 0.00 C ATOM 1020 C SER A 416 5.066 5.070 -2.924 1.00 0.00 C ATOM 1021 O SER A 416 5.946 5.086 -3.785 1.00 0.00 O ATOM 1022 CB SER A 416 6.502 5.076 -0.876 1.00 0.00 C ATOM 1023 OG SER A 416 6.380 5.002 0.534 1.00 0.00 O ATOM 0 H SER A 416 6.508 2.728 -1.888 1.00 0.00 H new ATOM 0 HA SER A 416 4.419 4.555 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 416 7.424 4.587 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 416 6.573 6.119 -1.184 1.00 0.00 H new ATOM 0 HG SER A 416 7.156 5.429 0.952 1.00 0.00 H new ATOM 1029 N TYR A 417 3.866 5.609 -3.109 1.00 0.00 N ATOM 1030 CA TYR A 417 3.505 6.264 -4.361 1.00 0.00 C ATOM 1031 C TYR A 417 3.855 7.748 -4.319 1.00 0.00 C ATOM 1032 O TYR A 417 4.027 8.327 -3.248 1.00 0.00 O ATOM 1033 CB TYR A 417 2.012 6.088 -4.641 1.00 0.00 C ATOM 1034 CG TYR A 417 1.646 4.704 -5.127 1.00 0.00 C ATOM 1035 CD1 TYR A 417 1.959 4.294 -6.417 1.00 0.00 C ATOM 1036 CD2 TYR A 417 0.988 3.806 -4.297 1.00 0.00 C ATOM 1037 CE1 TYR A 417 1.626 3.030 -6.866 1.00 0.00 C ATOM 1038 CE2 TYR A 417 0.653 2.539 -4.736 1.00 0.00 C ATOM 1039 CZ TYR A 417 0.973 2.157 -6.023 1.00 0.00 C ATOM 1040 OH TYR A 417 0.641 0.897 -6.466 1.00 0.00 O ATOM 0 H TYR A 417 3.126 5.605 -2.407 1.00 0.00 H new ATOM 0 HA TYR A 417 4.075 5.797 -5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 417 1.452 6.304 -3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 417 1.702 6.820 -5.387 1.00 0.00 H new ATOM 0 HD1 TYR A 417 2.471 4.975 -7.080 1.00 0.00 H new ATOM 0 HD2 TYR A 417 0.733 4.103 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 417 1.876 2.728 -7.872 1.00 0.00 H new ATOM 0 HE2 TYR A 417 0.144 1.852 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 417 1.007 0.759 -7.364 1.00 0.00 H new ATOM 1050 N GLU A 418 3.958 8.358 -5.496 1.00 0.00 N ATOM 1051 CA GLU A 418 4.287 9.775 -5.596 1.00 0.00 C ATOM 1052 C GLU A 418 3.277 10.624 -4.830 1.00 0.00 C ATOM 1053 O GLU A 418 3.622 11.289 -3.854 1.00 0.00 O ATOM 1054 CB GLU A 418 4.327 10.210 -7.063 1.00 0.00 C ATOM 1055 CG GLU A 418 4.953 9.179 -7.986 1.00 0.00 C ATOM 1056 CD GLU A 418 5.620 9.806 -9.195 1.00 0.00 C ATOM 1057 OE1 GLU A 418 4.925 10.505 -9.962 1.00 0.00 O ATOM 1058 OE2 GLU A 418 6.838 9.598 -9.374 1.00 0.00 O ATOM 0 H GLU A 418 3.818 7.893 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 418 5.272 9.925 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 418 3.311 10.418 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 418 4.886 11.143 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.689 8.599 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 418 4.184 8.482 -8.320 1.00 0.00 H new ATOM 1065 N ASP A 419 2.027 10.594 -5.280 1.00 0.00 N ATOM 1066 CA ASP A 419 0.965 11.360 -4.637 1.00 0.00 C ATOM 1067 C ASP A 419 -0.088 10.432 -4.039 1.00 0.00 C ATOM 1068 O ASP A 419 -0.247 9.283 -4.454 1.00 0.00 O ATOM 1069 CB ASP A 419 0.313 12.311 -5.642 1.00 0.00 C ATOM 1070 CG ASP A 419 1.325 12.960 -6.566 1.00 0.00 C ATOM 1071 OD1 ASP A 419 2.428 13.301 -6.091 1.00 0.00 O ATOM 1072 OD2 ASP A 419 1.014 13.127 -7.763 1.00 0.00 O ATOM 0 H ASP A 419 1.724 10.048 -6.087 1.00 0.00 H new ATOM 0 HA ASP A 419 1.409 11.944 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 419 -0.417 11.762 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -0.232 13.086 -5.103 1.00 0.00 H new ATOM 1077 N PRO A 420 -0.825 10.939 -3.040 1.00 0.00 N ATOM 1078 CA PRO A 420 -1.875 10.173 -2.363 1.00 0.00 C ATOM 1079 C PRO A 420 -2.940 9.669 -3.332 1.00 0.00 C ATOM 1080 O PRO A 420 -3.390 8.525 -3.256 1.00 0.00 O ATOM 1081 CB PRO A 420 -2.478 11.185 -1.385 1.00 0.00 C ATOM 1082 CG PRO A 420 -1.424 12.223 -1.217 1.00 0.00 C ATOM 1083 CD PRO A 420 -0.691 12.301 -2.495 1.00 0.00 C ATOM 0 HA PRO A 420 -1.481 9.278 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -3.399 11.616 -1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -2.727 10.716 -0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -1.868 13.187 -0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -0.751 11.961 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -1.123 13.047 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 420 0.353 12.574 -2.345 1.00 0.00 H new ATOM 1091 N PRO A 421 -3.355 10.539 -4.263 1.00 0.00 N ATOM 1092 CA PRO A 421 -4.371 10.203 -5.264 1.00 0.00 C ATOM 1093 C PRO A 421 -4.086 8.874 -5.956 1.00 0.00 C ATOM 1094 O PRO A 421 -5.005 8.176 -6.386 1.00 0.00 O ATOM 1095 CB PRO A 421 -4.278 11.357 -6.266 1.00 0.00 C ATOM 1096 CG PRO A 421 -3.740 12.501 -5.477 1.00 0.00 C ATOM 1097 CD PRO A 421 -2.862 11.919 -4.412 1.00 0.00 C ATOM 0 HA PRO A 421 -5.359 10.086 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 421 -3.621 11.106 -7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 421 -5.254 11.593 -6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 421 -3.174 13.179 -6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 421 -4.550 13.081 -5.035 1.00 0.00 H new ATOM 0 HD2 PRO A 421 -1.812 11.939 -4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 421 -2.944 12.476 -3.478 1.00 0.00 H new ATOM 1105 N THR A 422 -2.807 8.528 -6.059 1.00 0.00 N ATOM 1106 CA THR A 422 -2.401 7.283 -6.699 1.00 0.00 C ATOM 1107 C THR A 422 -2.362 6.136 -5.695 1.00 0.00 C ATOM 1108 O THR A 422 -2.754 5.012 -6.007 1.00 0.00 O ATOM 1109 CB THR A 422 -1.017 7.417 -7.362 1.00 0.00 C ATOM 1110 OG1 THR A 422 -1.034 8.479 -8.321 1.00 0.00 O ATOM 1111 CG2 THR A 422 -0.615 6.117 -8.044 1.00 0.00 C ATOM 0 H THR A 422 -2.034 9.093 -5.707 1.00 0.00 H new ATOM 0 HA THR A 422 -3.144 7.066 -7.467 1.00 0.00 H new ATOM 0 HB THR A 422 -0.287 7.642 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.150 8.559 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 422 0.366 6.236 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 422 -0.574 5.316 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 422 -1.348 5.866 -8.811 1.00 0.00 H new ATOM 1119 N ALA A 423 -1.888 6.428 -4.489 1.00 0.00 N ATOM 1120 CA ALA A 423 -1.801 5.422 -3.438 1.00 0.00 C ATOM 1121 C ALA A 423 -3.180 4.877 -3.083 1.00 0.00 C ATOM 1122 O ALA A 423 -3.388 3.665 -3.036 1.00 0.00 O ATOM 1123 CB ALA A 423 -1.128 6.003 -2.203 1.00 0.00 C ATOM 0 H ALA A 423 -1.558 7.354 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 423 -1.197 4.595 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -1.070 5.240 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.122 6.336 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.708 6.850 -1.837 1.00 0.00 H new ATOM 1129 N LYS A 424 -4.122 5.781 -2.833 1.00 0.00 N ATOM 1130 CA LYS A 424 -5.483 5.393 -2.483 1.00 0.00 C ATOM 1131 C LYS A 424 -6.118 4.571 -3.600 1.00 0.00 C ATOM 1132 O LYS A 424 -6.847 3.614 -3.341 1.00 0.00 O ATOM 1133 CB LYS A 424 -6.332 6.634 -2.201 1.00 0.00 C ATOM 1134 CG LYS A 424 -5.820 7.474 -1.044 1.00 0.00 C ATOM 1135 CD LYS A 424 -6.306 8.910 -1.138 1.00 0.00 C ATOM 1136 CE LYS A 424 -5.629 9.796 -0.104 1.00 0.00 C ATOM 1137 NZ LYS A 424 -6.063 9.462 1.281 1.00 0.00 N ATOM 0 H LYS A 424 -3.967 6.789 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.440 4.779 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -6.367 7.251 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -7.355 6.323 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -6.152 7.038 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.730 7.458 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -6.107 9.298 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -7.386 8.940 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -4.548 9.685 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -5.858 10.841 -0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -5.580 10.088 1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -7.092 9.592 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -5.821 8.473 1.491 1.00 0.00 H new ATOM 1151 N ALA A 425 -5.836 4.951 -4.842 1.00 0.00 N ATOM 1152 CA ALA A 425 -6.377 4.246 -5.998 1.00 0.00 C ATOM 1153 C ALA A 425 -5.663 2.918 -6.214 1.00 0.00 C ATOM 1154 O ALA A 425 -6.257 1.955 -6.699 1.00 0.00 O ATOM 1155 CB ALA A 425 -6.271 5.115 -7.242 1.00 0.00 C ATOM 0 H ALA A 425 -5.236 5.743 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.429 4.034 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -6.678 4.577 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -6.834 6.036 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -5.225 5.356 -7.430 1.00 0.00 H new ATOM 1161 N ALA A 426 -4.385 2.871 -5.853 1.00 0.00 N ATOM 1162 CA ALA A 426 -3.591 1.660 -6.007 1.00 0.00 C ATOM 1163 C ALA A 426 -4.037 0.581 -5.026 1.00 0.00 C ATOM 1164 O ALA A 426 -3.992 -0.610 -5.334 1.00 0.00 O ATOM 1165 CB ALA A 426 -2.113 1.970 -5.818 1.00 0.00 C ATOM 0 H ALA A 426 -3.877 3.659 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 426 -3.745 1.281 -7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 426 -1.531 1.056 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 426 -1.796 2.700 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 426 -1.951 2.377 -4.820 1.00 0.00 H new ATOM 1171 N VAL A 427 -4.466 1.007 -3.842 1.00 0.00 N ATOM 1172 CA VAL A 427 -4.922 0.077 -2.815 1.00 0.00 C ATOM 1173 C VAL A 427 -6.041 -0.816 -3.339 1.00 0.00 C ATOM 1174 O VAL A 427 -5.883 -2.032 -3.436 1.00 0.00 O ATOM 1175 CB VAL A 427 -5.419 0.824 -1.564 1.00 0.00 C ATOM 1176 CG1 VAL A 427 -6.022 -0.152 -0.564 1.00 0.00 C ATOM 1177 CG2 VAL A 427 -4.286 1.615 -0.930 1.00 0.00 C ATOM 0 H VAL A 427 -4.507 1.989 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.066 -0.541 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.196 1.526 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -6.368 0.394 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.863 -0.671 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -5.267 -0.879 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.656 2.136 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.485 0.935 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -3.904 2.342 -1.647 1.00 0.00 H new ATOM 1187 N GLU A 428 -7.171 -0.202 -3.675 1.00 0.00 N ATOM 1188 CA GLU A 428 -8.317 -0.943 -4.190 1.00 0.00 C ATOM 1189 C GLU A 428 -7.993 -1.580 -5.538 1.00 0.00 C ATOM 1190 O GLU A 428 -8.737 -2.428 -6.030 1.00 0.00 O ATOM 1191 CB GLU A 428 -9.529 -0.019 -4.328 1.00 0.00 C ATOM 1192 CG GLU A 428 -10.005 0.562 -3.007 1.00 0.00 C ATOM 1193 CD GLU A 428 -11.017 -0.326 -2.309 1.00 0.00 C ATOM 1194 OE1 GLU A 428 -11.637 -1.169 -2.990 1.00 0.00 O ATOM 1195 OE2 GLU A 428 -11.189 -0.176 -1.081 1.00 0.00 O ATOM 0 H GLU A 428 -7.318 0.805 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 428 -8.552 -1.736 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 428 -9.278 0.798 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 428 -10.347 -0.573 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 428 -9.148 0.714 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 428 -10.448 1.542 -3.184 1.00 0.00 H new ATOM 1202 N TRP A 429 -6.879 -1.163 -6.129 1.00 0.00 N ATOM 1203 CA TRP A 429 -6.457 -1.692 -7.421 1.00 0.00 C ATOM 1204 C TRP A 429 -5.772 -3.045 -7.258 1.00 0.00 C ATOM 1205 O TRP A 429 -6.166 -4.030 -7.883 1.00 0.00 O ATOM 1206 CB TRP A 429 -5.512 -0.708 -8.113 1.00 0.00 C ATOM 1207 CG TRP A 429 -4.847 -1.279 -9.330 1.00 0.00 C ATOM 1208 CD1 TRP A 429 -4.049 -2.387 -9.383 1.00 0.00 C ATOM 1209 CD2 TRP A 429 -4.921 -0.770 -10.665 1.00 0.00 C ATOM 1210 NE1 TRP A 429 -3.623 -2.596 -10.673 1.00 0.00 N ATOM 1211 CE2 TRP A 429 -4.145 -1.618 -11.479 1.00 0.00 C ATOM 1212 CE3 TRP A 429 -5.568 0.320 -11.254 1.00 0.00 C ATOM 1213 CZ2 TRP A 429 -3.999 -1.409 -12.848 1.00 0.00 C ATOM 1214 CZ3 TRP A 429 -5.423 0.526 -12.612 1.00 0.00 C ATOM 1215 CH2 TRP A 429 -4.644 -0.335 -13.397 1.00 0.00 C ATOM 0 H TRP A 429 -6.252 -0.461 -5.735 1.00 0.00 H new ATOM 0 HA TRP A 429 -7.345 -1.828 -8.038 1.00 0.00 H new ATOM 0 HB2 TRP A 429 -6.072 0.183 -8.398 1.00 0.00 H new ATOM 0 HB3 TRP A 429 -4.747 -0.391 -7.405 1.00 0.00 H new ATOM 0 HD1 TRP A 429 -3.791 -3.007 -8.537 1.00 0.00 H new ATOM 0 HE1 TRP A 429 -3.016 -3.356 -10.981 1.00 0.00 H new ATOM 0 HE3 TRP A 429 -6.171 0.989 -10.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 429 -3.398 -2.071 -13.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 429 -5.919 1.365 -13.077 1.00 0.00 H new ATOM 0 HH2 TRP A 429 -4.551 -0.147 -14.456 1.00 0.00 H new ATOM 1226 N PHE A 430 -4.745 -3.086 -6.415 1.00 0.00 N ATOM 1227 CA PHE A 430 -4.006 -4.318 -6.171 1.00 0.00 C ATOM 1228 C PHE A 430 -4.627 -5.106 -5.021 1.00 0.00 C ATOM 1229 O PHE A 430 -4.319 -6.282 -4.823 1.00 0.00 O ATOM 1230 CB PHE A 430 -2.541 -4.005 -5.858 1.00 0.00 C ATOM 1231 CG PHE A 430 -1.840 -3.257 -6.954 1.00 0.00 C ATOM 1232 CD1 PHE A 430 -1.360 -3.923 -8.070 1.00 0.00 C ATOM 1233 CD2 PHE A 430 -1.661 -1.885 -6.869 1.00 0.00 C ATOM 1234 CE1 PHE A 430 -0.715 -3.236 -9.081 1.00 0.00 C ATOM 1235 CE2 PHE A 430 -1.017 -1.193 -7.878 1.00 0.00 C ATOM 1236 CZ PHE A 430 -0.543 -1.869 -8.984 1.00 0.00 C ATOM 0 H PHE A 430 -4.406 -2.280 -5.890 1.00 0.00 H new ATOM 0 HA PHE A 430 -4.055 -4.927 -7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -2.491 -3.419 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -2.011 -4.939 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -1.491 -4.992 -8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -2.029 -1.351 -6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -0.346 -3.767 -9.946 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -0.885 -0.124 -7.801 1.00 0.00 H new ATOM 0 HZ PHE A 430 -0.038 -1.330 -9.772 1.00 0.00 H new ATOM 1246 N ASP A 431 -5.501 -4.451 -4.266 1.00 0.00 N ATOM 1247 CA ASP A 431 -6.165 -5.089 -3.135 1.00 0.00 C ATOM 1248 C ASP A 431 -6.939 -6.323 -3.588 1.00 0.00 C ATOM 1249 O ASP A 431 -8.056 -6.219 -4.093 1.00 0.00 O ATOM 1250 CB ASP A 431 -7.111 -4.102 -2.450 1.00 0.00 C ATOM 1251 CG ASP A 431 -8.178 -4.798 -1.628 1.00 0.00 C ATOM 1252 OD1 ASP A 431 -7.865 -5.834 -1.004 1.00 0.00 O ATOM 1253 OD2 ASP A 431 -9.325 -4.307 -1.608 1.00 0.00 O ATOM 0 H ASP A 431 -5.767 -3.478 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 431 -5.401 -5.401 -2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 431 -6.535 -3.439 -1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 431 -7.588 -3.477 -3.205 1.00 0.00 H new ATOM 1258 N GLY A 432 -6.336 -7.494 -3.401 1.00 0.00 N ATOM 1259 CA GLY A 432 -6.982 -8.732 -3.796 1.00 0.00 C ATOM 1260 C GLY A 432 -6.475 -9.253 -5.126 1.00 0.00 C ATOM 1261 O GLY A 432 -7.162 -10.014 -5.806 1.00 0.00 O ATOM 0 H GLY A 432 -5.412 -7.607 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 432 -6.816 -9.486 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 432 -8.058 -8.572 -3.859 1.00 0.00 H new ATOM 1265 N LYS A 433 -5.269 -8.840 -5.500 1.00 0.00 N ATOM 1266 CA LYS A 433 -4.669 -9.269 -6.757 1.00 0.00 C ATOM 1267 C LYS A 433 -4.095 -10.677 -6.634 1.00 0.00 C ATOM 1268 O LYS A 433 -3.969 -11.212 -5.533 1.00 0.00 O ATOM 1269 CB LYS A 433 -3.568 -8.294 -7.179 1.00 0.00 C ATOM 1270 CG LYS A 433 -4.069 -7.143 -8.037 1.00 0.00 C ATOM 1271 CD LYS A 433 -4.488 -7.620 -9.417 1.00 0.00 C ATOM 1272 CE LYS A 433 -4.676 -6.453 -10.376 1.00 0.00 C ATOM 1273 NZ LYS A 433 -5.698 -6.749 -11.417 1.00 0.00 N ATOM 0 H LYS A 433 -4.688 -8.208 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.449 -9.279 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -3.091 -7.890 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -2.802 -8.840 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -4.914 -6.662 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -3.286 -6.391 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -3.734 -8.300 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -5.418 -8.184 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -4.975 -5.567 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -3.725 -6.221 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -5.796 -5.930 -12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -5.401 -7.579 -11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -6.612 -6.945 -10.961 1.00 0.00 H new ATOM 1287 N ASP A 434 -3.747 -11.270 -7.772 1.00 0.00 N ATOM 1288 CA ASP A 434 -3.185 -12.616 -7.790 1.00 0.00 C ATOM 1289 C ASP A 434 -1.713 -12.583 -8.190 1.00 0.00 C ATOM 1290 O ASP A 434 -1.379 -12.334 -9.349 1.00 0.00 O ATOM 1291 CB ASP A 434 -3.969 -13.505 -8.757 1.00 0.00 C ATOM 1292 CG ASP A 434 -3.654 -13.201 -10.208 1.00 0.00 C ATOM 1293 OD1 ASP A 434 -4.114 -12.153 -10.708 1.00 0.00 O ATOM 1294 OD2 ASP A 434 -2.949 -14.012 -10.845 1.00 0.00 O ATOM 0 H ASP A 434 -3.844 -10.840 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 434 -3.261 -13.030 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 434 -3.741 -14.551 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 434 -5.037 -13.371 -8.584 1.00 0.00 H new ATOM 1299 N PHE A 435 -0.837 -12.835 -7.222 1.00 0.00 N ATOM 1300 CA PHE A 435 0.600 -12.832 -7.473 1.00 0.00 C ATOM 1301 C PHE A 435 1.190 -14.223 -7.263 1.00 0.00 C ATOM 1302 O PHE A 435 1.302 -14.697 -6.133 1.00 0.00 O ATOM 1303 CB PHE A 435 1.296 -11.826 -6.554 1.00 0.00 C ATOM 1304 CG PHE A 435 2.537 -11.228 -7.152 1.00 0.00 C ATOM 1305 CD1 PHE A 435 3.769 -11.839 -6.982 1.00 0.00 C ATOM 1306 CD2 PHE A 435 2.473 -10.053 -7.884 1.00 0.00 C ATOM 1307 CE1 PHE A 435 4.913 -11.292 -7.532 1.00 0.00 C ATOM 1308 CE2 PHE A 435 3.613 -9.501 -8.437 1.00 0.00 C ATOM 1309 CZ PHE A 435 4.835 -10.120 -8.259 1.00 0.00 C ATOM 0 H PHE A 435 -1.097 -13.044 -6.258 1.00 0.00 H new ATOM 0 HA PHE A 435 0.763 -12.540 -8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 435 0.598 -11.025 -6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 435 1.555 -12.320 -5.618 1.00 0.00 H new ATOM 0 HD1 PHE A 435 3.836 -12.754 -6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 435 1.521 -9.563 -8.024 1.00 0.00 H new ATOM 0 HE1 PHE A 435 5.866 -11.780 -7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 435 3.548 -8.586 -9.008 1.00 0.00 H new ATOM 0 HZ PHE A 435 5.728 -9.689 -8.687 1.00 0.00 H new ATOM 1319 N GLN A 436 1.567 -14.871 -8.361 1.00 0.00 N ATOM 1320 CA GLN A 436 2.145 -16.208 -8.299 1.00 0.00 C ATOM 1321 C GLN A 436 1.158 -17.200 -7.692 1.00 0.00 C ATOM 1322 O GLN A 436 1.546 -18.103 -6.952 1.00 0.00 O ATOM 1323 CB GLN A 436 3.437 -16.190 -7.479 1.00 0.00 C ATOM 1324 CG GLN A 436 4.630 -15.634 -8.238 1.00 0.00 C ATOM 1325 CD GLN A 436 5.916 -15.707 -7.439 1.00 0.00 C ATOM 1326 OE1 GLN A 436 6.262 -16.755 -6.892 1.00 0.00 O ATOM 1327 NE2 GLN A 436 6.632 -14.591 -7.366 1.00 0.00 N ATOM 0 H GLN A 436 1.482 -14.491 -9.304 1.00 0.00 H new ATOM 0 HA GLN A 436 2.373 -16.526 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 436 3.279 -15.594 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 436 3.665 -17.205 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 436 4.753 -16.187 -9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 436 4.433 -14.596 -8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 436 6.307 -13.745 -7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 436 7.507 -14.580 -6.841 1.00 0.00 H new ATOM 1336 N GLY A 437 -0.121 -17.025 -8.010 1.00 0.00 N ATOM 1337 CA GLY A 437 -1.144 -17.911 -7.487 1.00 0.00 C ATOM 1338 C GLY A 437 -1.459 -17.639 -6.030 1.00 0.00 C ATOM 1339 O GLY A 437 -1.986 -18.502 -5.329 1.00 0.00 O ATOM 0 H GLY A 437 -0.467 -16.285 -8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -2.053 -17.800 -8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -0.816 -18.945 -7.597 1.00 0.00 H new ATOM 1343 N SER A 438 -1.133 -16.435 -5.571 1.00 0.00 N ATOM 1344 CA SER A 438 -1.378 -16.051 -4.186 1.00 0.00 C ATOM 1345 C SER A 438 -2.079 -14.698 -4.112 1.00 0.00 C ATOM 1346 O SER A 438 -1.644 -13.726 -4.731 1.00 0.00 O ATOM 1347 CB SER A 438 -0.062 -16.000 -3.408 1.00 0.00 C ATOM 1348 OG SER A 438 0.508 -17.292 -3.283 1.00 0.00 O ATOM 0 H SER A 438 -0.698 -15.708 -6.139 1.00 0.00 H new ATOM 0 HA SER A 438 -2.028 -16.802 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 438 0.639 -15.338 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 438 -0.237 -15.579 -2.418 1.00 0.00 H new ATOM 0 HG SER A 438 1.349 -17.232 -2.783 1.00 0.00 H new ATOM 1354 N LYS A 439 -3.166 -14.643 -3.351 1.00 0.00 N ATOM 1355 CA LYS A 439 -3.929 -13.410 -3.194 1.00 0.00 C ATOM 1356 C LYS A 439 -3.149 -12.390 -2.371 1.00 0.00 C ATOM 1357 O LYS A 439 -2.548 -12.729 -1.350 1.00 0.00 O ATOM 1358 CB LYS A 439 -5.274 -13.700 -2.525 1.00 0.00 C ATOM 1359 CG LYS A 439 -6.336 -12.653 -2.815 1.00 0.00 C ATOM 1360 CD LYS A 439 -7.723 -13.148 -2.446 1.00 0.00 C ATOM 1361 CE LYS A 439 -8.366 -13.912 -3.594 1.00 0.00 C ATOM 1362 NZ LYS A 439 -9.850 -13.785 -3.583 1.00 0.00 N ATOM 0 H LYS A 439 -3.539 -15.438 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 439 -4.106 -12.992 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -5.634 -14.673 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 439 -5.127 -13.768 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -6.113 -11.743 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -6.311 -12.392 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -7.659 -13.792 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -8.352 -12.301 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -7.977 -13.539 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -8.091 -14.965 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -10.250 -14.319 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -10.224 -14.164 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -10.113 -12.783 -3.671 1.00 0.00 H new ATOM 1376 N LEU A 440 -3.164 -11.139 -2.817 1.00 0.00 N ATOM 1377 CA LEU A 440 -2.460 -10.068 -2.121 1.00 0.00 C ATOM 1378 C LEU A 440 -3.438 -9.179 -1.360 1.00 0.00 C ATOM 1379 O LEU A 440 -4.624 -9.121 -1.685 1.00 0.00 O ATOM 1380 CB LEU A 440 -1.657 -9.228 -3.115 1.00 0.00 C ATOM 1381 CG LEU A 440 -0.821 -10.007 -4.131 1.00 0.00 C ATOM 1382 CD1 LEU A 440 0.226 -9.106 -4.765 1.00 0.00 C ATOM 1383 CD2 LEU A 440 -0.162 -11.210 -3.469 1.00 0.00 C ATOM 0 H LEU A 440 -3.657 -10.841 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 440 -1.776 -10.522 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 440 -2.349 -8.586 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 440 -0.991 -8.574 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 440 -1.484 -10.367 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 440 0.811 -9.678 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 440 -0.267 -8.278 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 440 0.886 -8.715 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 440 0.429 -11.753 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 440 0.488 -10.871 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 440 -0.930 -11.869 -3.064 1.00 0.00 H new ATOM 1395 N LYS A 441 -2.932 -8.485 -0.346 1.00 0.00 N ATOM 1396 CA LYS A 441 -3.758 -7.594 0.460 1.00 0.00 C ATOM 1397 C LYS A 441 -3.105 -6.224 0.600 1.00 0.00 C ATOM 1398 O LYS A 441 -2.131 -6.061 1.337 1.00 0.00 O ATOM 1399 CB LYS A 441 -3.997 -8.201 1.845 1.00 0.00 C ATOM 1400 CG LYS A 441 -4.949 -9.384 1.835 1.00 0.00 C ATOM 1401 CD LYS A 441 -4.915 -10.139 3.153 1.00 0.00 C ATOM 1402 CE LYS A 441 -5.827 -9.495 4.187 1.00 0.00 C ATOM 1403 NZ LYS A 441 -5.514 -9.959 5.567 1.00 0.00 N ATOM 0 H LYS A 441 -1.953 -8.523 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 441 -4.715 -7.470 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 441 -3.042 -8.518 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 441 -4.395 -7.431 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 441 -5.963 -9.034 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 441 -4.683 -10.059 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 441 -5.221 -11.172 2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 441 -3.894 -10.165 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 441 -5.725 -8.411 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 441 -6.865 -9.729 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 441 -6.157 -9.498 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 441 -5.636 -10.990 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 441 -4.531 -9.713 5.801 1.00 0.00 H new ATOM 1417 N VAL A 442 -3.647 -5.238 -0.109 1.00 0.00 N ATOM 1418 CA VAL A 442 -3.118 -3.881 -0.062 1.00 0.00 C ATOM 1419 C VAL A 442 -3.992 -2.981 0.803 1.00 0.00 C ATOM 1420 O VAL A 442 -5.216 -2.977 0.675 1.00 0.00 O ATOM 1421 CB VAL A 442 -3.009 -3.271 -1.472 1.00 0.00 C ATOM 1422 CG1 VAL A 442 -2.180 -1.996 -1.440 1.00 0.00 C ATOM 1423 CG2 VAL A 442 -2.415 -4.280 -2.443 1.00 0.00 C ATOM 0 H VAL A 442 -4.453 -5.355 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 442 -2.122 -3.945 0.375 1.00 0.00 H new ATOM 0 HB VAL A 442 -4.011 -3.015 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -2.114 -1.580 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -2.653 -1.271 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -1.178 -2.222 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -2.345 -3.833 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -1.420 -4.569 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -3.054 -5.162 -2.487 1.00 0.00 H new ATOM 1433 N SER A 443 -3.355 -2.217 1.685 1.00 0.00 N ATOM 1434 CA SER A 443 -4.075 -1.313 2.575 1.00 0.00 C ATOM 1435 C SER A 443 -3.222 -0.096 2.919 1.00 0.00 C ATOM 1436 O SER A 443 -2.052 -0.224 3.280 1.00 0.00 O ATOM 1437 CB SER A 443 -4.483 -2.043 3.857 1.00 0.00 C ATOM 1438 OG SER A 443 -3.349 -2.366 4.643 1.00 0.00 O ATOM 0 H SER A 443 -2.342 -2.206 1.802 1.00 0.00 H new ATOM 0 HA SER A 443 -4.972 -0.972 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 443 -5.163 -1.417 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 443 -5.025 -2.954 3.604 1.00 0.00 H new ATOM 0 HG SER A 443 -3.637 -2.830 5.457 1.00 0.00 H new ATOM 1444 N LEU A 444 -3.818 1.086 2.805 1.00 0.00 N ATOM 1445 CA LEU A 444 -3.114 2.329 3.103 1.00 0.00 C ATOM 1446 C LEU A 444 -2.312 2.204 4.394 1.00 0.00 C ATOM 1447 O LEU A 444 -2.876 2.016 5.472 1.00 0.00 O ATOM 1448 CB LEU A 444 -4.108 3.486 3.216 1.00 0.00 C ATOM 1449 CG LEU A 444 -4.604 4.078 1.896 1.00 0.00 C ATOM 1450 CD1 LEU A 444 -5.579 5.215 2.153 1.00 0.00 C ATOM 1451 CD2 LEU A 444 -3.431 4.558 1.053 1.00 0.00 C ATOM 0 H LEU A 444 -4.786 1.210 2.509 1.00 0.00 H new ATOM 0 HA LEU A 444 -2.422 2.531 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -4.972 3.142 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -3.643 4.283 3.796 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.127 3.297 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -5.921 5.623 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.434 4.841 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -5.082 5.998 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -3.802 4.976 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -2.880 5.323 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -2.770 3.719 0.838 1.00 0.00 H new