USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=20 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 401 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 414 THR OG1 : rot 180:sc= -1.11 USER MOD Set 2.1: A 390 ASN : amide:sc= -0.29 K(o=-2.2,f=-9.9!) USER MOD Set 2.2: A 393 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 361 SER OG : rot 19:sc= 0.323 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 366 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 369 ASN : amide:sc= -1.68 K(o=-1.7,f=-5.3!) USER MOD Single : A 371 SER OG : rot -42:sc= 0.38 USER MOD Single : A 373 THR OG1 : rot 170:sc= -0.315 USER MOD Single : A 382 LYS NZ :NH3+ 142:sc= -0.499 (180deg=-1.37!) USER MOD Single : A 383 GLN : amide:sc= -0.302 K(o=-0.3,f=-1.7!) USER MOD Single : A 384 CYS SG : rot -120:sc= -0.152 USER MOD Single : A 388 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0533) USER MOD Single : A 389 MET CE :methyl -164:sc= -5.93 (180deg=-7.59!) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) 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+ 167:sc=-0.00446 (180deg=-0.0952) USER MOD Single : A 406 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 410 LYS NZ :NH3+ -120:sc= -0.0483 (180deg=-0.745) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 7:sc= -0.184 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ -164:sc= -0.11 (180deg=-0.428) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.3) USER MOD Single : A 438 SER OG : rot -57:sc= 1.23 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= -0.0167 USER MOD ----------------------------------------------------------------- ATOM 168 N SER A 361 0.819 8.645 1.152 1.00 0.00 N ATOM 169 CA SER A 361 1.110 8.279 -0.230 1.00 0.00 C ATOM 170 C SER A 361 1.828 6.935 -0.296 1.00 0.00 C ATOM 171 O SER A 361 2.721 6.736 -1.119 1.00 0.00 O ATOM 172 CB SER A 361 1.963 9.360 -0.896 1.00 0.00 C ATOM 173 OG SER A 361 1.498 10.656 -0.560 1.00 0.00 O ATOM 0 HA SER A 361 0.164 8.192 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 361 3.002 9.251 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 361 1.939 9.231 -1.978 1.00 0.00 H new ATOM 0 HG SER A 361 0.943 10.606 0.246 1.00 0.00 H new ATOM 179 N ALA A 362 1.429 6.014 0.575 1.00 0.00 N ATOM 180 CA ALA A 362 2.032 4.687 0.615 1.00 0.00 C ATOM 181 C ALA A 362 0.971 3.607 0.785 1.00 0.00 C ATOM 182 O ALA A 362 -0.171 3.896 1.147 1.00 0.00 O ATOM 183 CB ALA A 362 3.056 4.606 1.737 1.00 0.00 C ATOM 0 H ALA A 362 0.690 6.162 1.263 1.00 0.00 H new ATOM 0 HA ALA A 362 2.537 4.516 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 362 3.498 3.610 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 362 3.838 5.347 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 362 2.567 4.803 2.691 1.00 0.00 H new ATOM 189 N ILE A 363 1.353 2.361 0.524 1.00 0.00 N ATOM 190 CA ILE A 363 0.433 1.239 0.649 1.00 0.00 C ATOM 191 C ILE A 363 1.115 0.039 1.299 1.00 0.00 C ATOM 192 O ILE A 363 2.288 -0.235 1.045 1.00 0.00 O ATOM 193 CB ILE A 363 -0.128 0.814 -0.722 1.00 0.00 C ATOM 194 CG1 ILE A 363 0.999 0.307 -1.623 1.00 0.00 C ATOM 195 CG2 ILE A 363 -0.857 1.977 -1.378 1.00 0.00 C ATOM 196 CD1 ILE A 363 0.506 -0.442 -2.842 1.00 0.00 C ATOM 0 H ILE A 363 2.294 2.104 0.225 1.00 0.00 H new ATOM 0 HA ILE A 363 -0.389 1.575 1.281 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.840 0.002 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 363 1.604 1.154 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.651 -0.347 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -1.248 1.662 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.681 2.296 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 363 -0.165 2.807 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 363 1.359 -0.772 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 363 -0.074 -1.309 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 363 -0.122 0.215 -3.444 1.00 0.00 H new ATOM 208 N TYR A 364 0.372 -0.673 2.139 1.00 0.00 N ATOM 209 CA TYR A 364 0.903 -1.843 2.827 1.00 0.00 C ATOM 210 C TYR A 364 0.414 -3.130 2.172 1.00 0.00 C ATOM 211 O TYR A 364 -0.780 -3.428 2.175 1.00 0.00 O ATOM 212 CB TYR A 364 0.498 -1.822 4.302 1.00 0.00 C ATOM 213 CG TYR A 364 1.478 -2.531 5.209 1.00 0.00 C ATOM 214 CD1 TYR A 364 1.479 -3.916 5.316 1.00 0.00 C ATOM 215 CD2 TYR A 364 2.402 -1.815 5.960 1.00 0.00 C ATOM 216 CE1 TYR A 364 2.372 -4.567 6.145 1.00 0.00 C ATOM 217 CE2 TYR A 364 3.300 -2.458 6.790 1.00 0.00 C ATOM 218 CZ TYR A 364 3.281 -3.834 6.880 1.00 0.00 C ATOM 219 OH TYR A 364 4.172 -4.480 7.706 1.00 0.00 O ATOM 0 H TYR A 364 -0.601 -0.460 2.360 1.00 0.00 H new ATOM 0 HA TYR A 364 1.990 -1.811 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.398 -0.787 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 364 -0.483 -2.286 4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 364 0.770 -4.493 4.742 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.419 -0.737 5.894 1.00 0.00 H new ATOM 0 HE1 TYR A 364 2.359 -5.644 6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 364 4.013 -1.886 7.365 1.00 0.00 H new ATOM 0 HH TYR A 364 4.743 -3.820 8.151 1.00 0.00 H new ATOM 229 N VAL A 365 1.347 -3.892 1.608 1.00 0.00 N ATOM 230 CA VAL A 365 1.012 -5.149 0.950 1.00 0.00 C ATOM 231 C VAL A 365 1.331 -6.340 1.846 1.00 0.00 C ATOM 232 O VAL A 365 2.330 -6.338 2.565 1.00 0.00 O ATOM 233 CB VAL A 365 1.772 -5.304 -0.381 1.00 0.00 C ATOM 234 CG1 VAL A 365 1.207 -6.465 -1.185 1.00 0.00 C ATOM 235 CG2 VAL A 365 1.713 -4.012 -1.181 1.00 0.00 C ATOM 0 H VAL A 365 2.340 -3.660 1.594 1.00 0.00 H new ATOM 0 HA VAL A 365 -0.059 -5.126 0.749 1.00 0.00 H new ATOM 0 HB VAL A 365 2.817 -5.520 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 365 1.756 -6.560 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 365 1.306 -7.387 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 365 0.154 -6.282 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.255 -4.139 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 365 0.673 -3.763 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 365 2.168 -3.206 -0.605 1.00 0.00 H new ATOM 245 N GLN A 366 0.476 -7.357 1.797 1.00 0.00 N ATOM 246 CA GLN A 366 0.667 -8.556 2.604 1.00 0.00 C ATOM 247 C GLN A 366 0.075 -9.778 1.912 1.00 0.00 C ATOM 248 O GLN A 366 -1.115 -9.812 1.599 1.00 0.00 O ATOM 249 CB GLN A 366 0.027 -8.375 3.982 1.00 0.00 C ATOM 250 CG GLN A 366 0.866 -7.542 4.938 1.00 0.00 C ATOM 251 CD GLN A 366 0.143 -7.241 6.236 1.00 0.00 C ATOM 252 OE1 GLN A 366 0.610 -7.599 7.317 1.00 0.00 O ATOM 253 NE2 GLN A 366 -1.002 -6.576 6.136 1.00 0.00 N ATOM 0 H GLN A 366 -0.356 -7.374 1.207 1.00 0.00 H new ATOM 0 HA GLN A 366 1.738 -8.715 2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 366 -0.948 -7.903 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 366 -0.147 -9.356 4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 366 1.794 -8.071 5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 366 1.140 -6.605 4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 366 -1.352 -6.299 5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 366 -1.531 -6.343 6.976 1.00 0.00 H new ATOM 262 N GLY A 367 0.913 -10.783 1.675 1.00 0.00 N ATOM 263 CA GLY A 367 0.454 -11.994 1.021 1.00 0.00 C ATOM 264 C GLY A 367 1.383 -12.439 -0.092 1.00 0.00 C ATOM 265 O GLY A 367 1.075 -13.377 -0.830 1.00 0.00 O ATOM 0 H GLY A 367 1.902 -10.780 1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 367 0.368 -12.792 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 367 -0.543 -11.828 0.613 1.00 0.00 H new ATOM 269 N LEU A 368 2.522 -11.766 -0.215 1.00 0.00 N ATOM 270 CA LEU A 368 3.498 -12.097 -1.247 1.00 0.00 C ATOM 271 C LEU A 368 4.219 -13.400 -0.918 1.00 0.00 C ATOM 272 O LEU A 368 4.295 -13.803 0.243 1.00 0.00 O ATOM 273 CB LEU A 368 4.514 -10.963 -1.397 1.00 0.00 C ATOM 274 CG LEU A 368 3.939 -9.585 -1.724 1.00 0.00 C ATOM 275 CD1 LEU A 368 4.971 -8.499 -1.463 1.00 0.00 C ATOM 276 CD2 LEU A 368 3.464 -9.534 -3.169 1.00 0.00 C ATOM 0 H LEU A 368 2.792 -10.988 0.387 1.00 0.00 H new ATOM 0 HA LEU A 368 2.964 -12.227 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 368 5.082 -10.887 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 368 5.219 -11.236 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 368 3.082 -9.408 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 368 4.543 -7.525 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 368 5.263 -8.519 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 368 5.848 -8.673 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 368 3.058 -8.546 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 368 4.303 -9.734 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.690 -10.286 -3.324 1.00 0.00 H new ATOM 288 N ASN A 369 4.748 -14.055 -1.947 1.00 0.00 N ATOM 289 CA ASN A 369 5.464 -15.312 -1.766 1.00 0.00 C ATOM 290 C ASN A 369 6.911 -15.059 -1.350 1.00 0.00 C ATOM 291 O ASN A 369 7.335 -13.912 -1.210 1.00 0.00 O ATOM 292 CB ASN A 369 5.429 -16.133 -3.057 1.00 0.00 C ATOM 293 CG ASN A 369 5.364 -15.259 -4.296 1.00 0.00 C ATOM 294 OD1 ASN A 369 5.913 -14.158 -4.322 1.00 0.00 O ATOM 295 ND2 ASN A 369 4.688 -15.749 -5.329 1.00 0.00 N ATOM 0 H ASN A 369 4.694 -13.736 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 369 4.969 -15.873 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 369 6.316 -16.764 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 369 4.565 -16.798 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 369 4.608 -15.207 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 369 4.249 -16.667 -5.262 1.00 0.00 H new ATOM 302 N ASP A 370 7.661 -16.138 -1.153 1.00 0.00 N ATOM 303 CA ASP A 370 9.059 -16.034 -0.753 1.00 0.00 C ATOM 304 C ASP A 370 9.963 -15.895 -1.975 1.00 0.00 C ATOM 305 O ASP A 370 11.189 -15.906 -1.857 1.00 0.00 O ATOM 306 CB ASP A 370 9.470 -17.260 0.064 1.00 0.00 C ATOM 307 CG ASP A 370 8.334 -17.800 0.909 1.00 0.00 C ATOM 308 OD1 ASP A 370 7.640 -16.989 1.557 1.00 0.00 O ATOM 309 OD2 ASP A 370 8.139 -19.034 0.924 1.00 0.00 O ATOM 0 H ASP A 370 7.324 -17.094 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 370 9.171 -15.142 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 370 9.821 -18.041 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 370 10.307 -16.998 0.711 1.00 0.00 H new ATOM 314 N SER A 371 9.350 -15.765 -3.147 1.00 0.00 N ATOM 315 CA SER A 371 10.100 -15.628 -4.390 1.00 0.00 C ATOM 316 C SER A 371 9.878 -14.251 -5.009 1.00 0.00 C ATOM 317 O SER A 371 10.365 -13.965 -6.104 1.00 0.00 O ATOM 318 CB SER A 371 9.687 -16.718 -5.381 1.00 0.00 C ATOM 319 OG SER A 371 10.580 -16.771 -6.481 1.00 0.00 O ATOM 0 H SER A 371 8.337 -15.752 -3.262 1.00 0.00 H new ATOM 0 HA SER A 371 11.160 -15.737 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 371 9.668 -17.684 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 371 8.676 -16.525 -5.738 1.00 0.00 H new ATOM 0 HG SER A 371 10.800 -15.860 -6.768 1.00 0.00 H new ATOM 325 N VAL A 372 9.141 -13.402 -4.301 1.00 0.00 N ATOM 326 CA VAL A 372 8.855 -12.055 -4.779 1.00 0.00 C ATOM 327 C VAL A 372 10.067 -11.145 -4.614 1.00 0.00 C ATOM 328 O VAL A 372 10.762 -11.196 -3.598 1.00 0.00 O ATOM 329 CB VAL A 372 7.657 -11.437 -4.033 1.00 0.00 C ATOM 330 CG1 VAL A 372 8.060 -11.020 -2.628 1.00 0.00 C ATOM 331 CG2 VAL A 372 7.100 -10.254 -4.810 1.00 0.00 C ATOM 0 H VAL A 372 8.731 -13.623 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 372 8.609 -12.140 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 372 6.874 -12.191 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 372 7.201 -10.586 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 372 8.408 -11.893 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 372 8.860 -10.282 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 372 6.254 -9.829 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 372 7.875 -9.496 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 372 6.771 -10.588 -5.794 1.00 0.00 H new ATOM 341 N THR A 373 10.316 -10.310 -5.618 1.00 0.00 N ATOM 342 CA THR A 373 11.444 -9.388 -5.585 1.00 0.00 C ATOM 343 C THR A 373 10.979 -7.944 -5.736 1.00 0.00 C ATOM 344 O THR A 373 9.799 -7.684 -5.977 1.00 0.00 O ATOM 345 CB THR A 373 12.462 -9.706 -6.696 1.00 0.00 C ATOM 346 OG1 THR A 373 11.821 -9.658 -7.977 1.00 0.00 O ATOM 347 CG2 THR A 373 13.082 -11.080 -6.485 1.00 0.00 C ATOM 0 H THR A 373 9.751 -10.254 -6.465 1.00 0.00 H new ATOM 0 HA THR A 373 11.925 -9.512 -4.615 1.00 0.00 H new ATOM 0 HB THR A 373 13.254 -8.958 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 373 12.499 -9.700 -8.684 1.00 0.00 H new ATOM 0 HG21 THR A 373 13.798 -11.283 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 373 13.594 -11.104 -5.523 1.00 0.00 H new ATOM 0 HG23 THR A 373 12.299 -11.838 -6.499 1.00 0.00 H new ATOM 355 N LEU A 374 11.911 -7.010 -5.594 1.00 0.00 N ATOM 356 CA LEU A 374 11.597 -5.590 -5.715 1.00 0.00 C ATOM 357 C LEU A 374 11.204 -5.240 -7.147 1.00 0.00 C ATOM 358 O LEU A 374 10.074 -4.826 -7.408 1.00 0.00 O ATOM 359 CB LEU A 374 12.794 -4.743 -5.280 1.00 0.00 C ATOM 360 CG LEU A 374 12.749 -3.267 -5.674 1.00 0.00 C ATOM 361 CD1 LEU A 374 11.769 -2.508 -4.792 1.00 0.00 C ATOM 362 CD2 LEU A 374 14.138 -2.649 -5.585 1.00 0.00 C ATOM 0 H LEU A 374 12.891 -7.209 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 374 10.751 -5.373 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 374 12.884 -4.806 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 374 13.698 -5.184 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 374 12.406 -3.197 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 374 11.751 -1.459 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 374 10.772 -2.934 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 374 12.081 -2.586 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 374 14.087 -1.598 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 374 14.508 -2.731 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 374 14.814 -3.175 -6.259 1.00 0.00 H new ATOM 374 N ASP A 375 12.144 -5.411 -8.070 1.00 0.00 N ATOM 375 CA ASP A 375 11.896 -5.117 -9.476 1.00 0.00 C ATOM 376 C ASP A 375 10.578 -5.733 -9.937 1.00 0.00 C ATOM 377 O ASP A 375 9.926 -5.221 -10.848 1.00 0.00 O ATOM 378 CB ASP A 375 13.045 -5.637 -10.340 1.00 0.00 C ATOM 379 CG ASP A 375 14.293 -4.785 -10.218 1.00 0.00 C ATOM 380 OD1 ASP A 375 14.159 -3.566 -9.981 1.00 0.00 O ATOM 381 OD2 ASP A 375 15.404 -5.337 -10.358 1.00 0.00 O ATOM 0 H ASP A 375 13.084 -5.752 -7.870 1.00 0.00 H new ATOM 0 HA ASP A 375 11.829 -4.035 -9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 375 13.278 -6.662 -10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 375 12.728 -5.665 -11.383 1.00 0.00 H new ATOM 386 N ASP A 376 10.192 -6.835 -9.303 1.00 0.00 N ATOM 387 CA ASP A 376 8.953 -7.521 -9.646 1.00 0.00 C ATOM 388 C ASP A 376 7.747 -6.786 -9.072 1.00 0.00 C ATOM 389 O ASP A 376 6.666 -6.787 -9.663 1.00 0.00 O ATOM 390 CB ASP A 376 8.983 -8.961 -9.131 1.00 0.00 C ATOM 391 CG ASP A 376 9.663 -9.909 -10.098 1.00 0.00 C ATOM 392 OD1 ASP A 376 10.809 -9.623 -10.504 1.00 0.00 O ATOM 393 OD2 ASP A 376 9.049 -10.938 -10.450 1.00 0.00 O ATOM 0 H ASP A 376 10.720 -7.272 -8.548 1.00 0.00 H new ATOM 0 HA ASP A 376 8.863 -7.534 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 376 9.502 -8.990 -8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 376 7.963 -9.300 -8.951 1.00 0.00 H new ATOM 398 N LEU A 377 7.938 -6.160 -7.915 1.00 0.00 N ATOM 399 CA LEU A 377 6.865 -5.422 -7.258 1.00 0.00 C ATOM 400 C LEU A 377 6.765 -4.002 -7.809 1.00 0.00 C ATOM 401 O LEU A 377 5.694 -3.398 -7.804 1.00 0.00 O ATOM 402 CB LEU A 377 7.098 -5.380 -5.748 1.00 0.00 C ATOM 403 CG LEU A 377 6.922 -6.705 -5.005 1.00 0.00 C ATOM 404 CD1 LEU A 377 7.101 -6.506 -3.508 1.00 0.00 C ATOM 405 CD2 LEU A 377 5.558 -7.308 -5.305 1.00 0.00 C ATOM 0 H LEU A 377 8.826 -6.149 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 377 5.926 -5.938 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 377 8.109 -5.016 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 377 6.414 -4.650 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 377 7.688 -7.398 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 377 6.972 -7.460 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 377 8.101 -6.120 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 377 6.359 -5.796 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.451 -8.250 -4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.777 -6.618 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.468 -7.489 -6.376 1.00 0.00 H new ATOM 417 N ALA A 378 7.891 -3.478 -8.284 1.00 0.00 N ATOM 418 CA ALA A 378 7.930 -2.131 -8.841 1.00 0.00 C ATOM 419 C ALA A 378 7.268 -2.086 -10.215 1.00 0.00 C ATOM 420 O ALA A 378 6.597 -1.114 -10.559 1.00 0.00 O ATOM 421 CB ALA A 378 9.366 -1.637 -8.929 1.00 0.00 C ATOM 0 H ALA A 378 8.787 -3.965 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 378 7.372 -1.473 -8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 378 9.379 -0.630 -9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 378 9.807 -1.622 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 378 9.941 -2.304 -9.571 1.00 0.00 H new ATOM 427 N ASP A 379 7.463 -3.144 -10.995 1.00 0.00 N ATOM 428 CA ASP A 379 6.886 -3.225 -12.331 1.00 0.00 C ATOM 429 C ASP A 379 5.411 -3.607 -12.264 1.00 0.00 C ATOM 430 O ASP A 379 4.655 -3.377 -13.208 1.00 0.00 O ATOM 431 CB ASP A 379 7.650 -4.243 -13.179 1.00 0.00 C ATOM 432 CG ASP A 379 7.369 -4.090 -14.662 1.00 0.00 C ATOM 433 OD1 ASP A 379 6.203 -3.817 -15.018 1.00 0.00 O ATOM 434 OD2 ASP A 379 8.313 -4.244 -15.464 1.00 0.00 O ATOM 0 H ASP A 379 8.016 -3.957 -10.725 1.00 0.00 H new ATOM 0 HA ASP A 379 6.968 -2.242 -12.795 1.00 0.00 H new ATOM 0 HB2 ASP A 379 8.719 -4.130 -13.001 1.00 0.00 H new ATOM 0 HB3 ASP A 379 7.379 -5.251 -12.863 1.00 0.00 H new ATOM 439 N PHE A 380 5.007 -4.194 -11.141 1.00 0.00 N ATOM 440 CA PHE A 380 3.623 -4.610 -10.951 1.00 0.00 C ATOM 441 C PHE A 380 2.815 -3.513 -10.263 1.00 0.00 C ATOM 442 O PHE A 380 1.747 -3.124 -10.736 1.00 0.00 O ATOM 443 CB PHE A 380 3.564 -5.897 -10.124 1.00 0.00 C ATOM 444 CG PHE A 380 2.166 -6.389 -9.881 1.00 0.00 C ATOM 445 CD1 PHE A 380 1.444 -6.994 -10.896 1.00 0.00 C ATOM 446 CD2 PHE A 380 1.574 -6.245 -8.636 1.00 0.00 C ATOM 447 CE1 PHE A 380 0.157 -7.449 -10.676 1.00 0.00 C ATOM 448 CE2 PHE A 380 0.288 -6.698 -8.409 1.00 0.00 C ATOM 449 CZ PHE A 380 -0.421 -7.299 -9.430 1.00 0.00 C ATOM 0 H PHE A 380 5.619 -4.392 -10.349 1.00 0.00 H new ATOM 0 HA PHE A 380 3.188 -4.796 -11.933 1.00 0.00 H new ATOM 0 HB2 PHE A 380 4.131 -6.675 -10.636 1.00 0.00 H new ATOM 0 HB3 PHE A 380 4.052 -5.726 -9.165 1.00 0.00 H new ATOM 0 HD1 PHE A 380 1.892 -7.112 -11.872 1.00 0.00 H new ATOM 0 HD2 PHE A 380 2.124 -5.774 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 380 -0.395 -7.920 -11.476 1.00 0.00 H new ATOM 0 HE2 PHE A 380 -0.162 -6.582 -7.434 1.00 0.00 H new ATOM 0 HZ PHE A 380 -1.427 -7.652 -9.255 1.00 0.00 H new ATOM 459 N PHE A 381 3.333 -3.017 -9.144 1.00 0.00 N ATOM 460 CA PHE A 381 2.660 -1.966 -8.390 1.00 0.00 C ATOM 461 C PHE A 381 2.481 -0.715 -9.244 1.00 0.00 C ATOM 462 O PHE A 381 1.584 0.094 -9.001 1.00 0.00 O ATOM 463 CB PHE A 381 3.455 -1.627 -7.128 1.00 0.00 C ATOM 464 CG PHE A 381 3.266 -2.618 -6.015 1.00 0.00 C ATOM 465 CD1 PHE A 381 1.995 -2.991 -5.610 1.00 0.00 C ATOM 466 CD2 PHE A 381 4.361 -3.176 -5.375 1.00 0.00 C ATOM 467 CE1 PHE A 381 1.818 -3.903 -4.588 1.00 0.00 C ATOM 468 CE2 PHE A 381 4.189 -4.090 -4.351 1.00 0.00 C ATOM 469 CZ PHE A 381 2.916 -4.453 -3.956 1.00 0.00 C ATOM 0 H PHE A 381 4.217 -3.326 -8.739 1.00 0.00 H new ATOM 0 HA PHE A 381 1.674 -2.332 -8.103 1.00 0.00 H new ATOM 0 HB2 PHE A 381 4.514 -1.573 -7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 381 3.160 -0.638 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 381 1.132 -2.564 -6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 381 5.359 -2.895 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 381 0.821 -4.186 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 381 5.050 -4.520 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 381 2.780 -5.165 -3.155 1.00 0.00 H new ATOM 479 N LYS A 382 3.339 -0.561 -10.247 1.00 0.00 N ATOM 480 CA LYS A 382 3.277 0.591 -11.138 1.00 0.00 C ATOM 481 C LYS A 382 2.060 0.505 -12.055 1.00 0.00 C ATOM 482 O LYS A 382 1.671 1.491 -12.679 1.00 0.00 O ATOM 483 CB LYS A 382 4.553 0.683 -11.976 1.00 0.00 C ATOM 484 CG LYS A 382 4.716 -0.458 -12.965 1.00 0.00 C ATOM 485 CD LYS A 382 5.488 -0.022 -14.199 1.00 0.00 C ATOM 486 CE LYS A 382 4.569 0.594 -15.243 1.00 0.00 C ATOM 487 NZ LYS A 382 4.299 2.032 -14.964 1.00 0.00 N ATOM 0 H LYS A 382 4.086 -1.221 -10.463 1.00 0.00 H new ATOM 0 HA LYS A 382 3.186 1.488 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.552 1.627 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 382 5.415 0.700 -11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 382 5.236 -1.286 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 382 3.734 -0.827 -13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 382 6.253 0.701 -13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 382 6.004 -0.880 -14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 382 5.021 0.494 -16.230 1.00 0.00 H new ATOM 0 HE3 LYS A 382 3.627 0.046 -15.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 4.270 2.560 -15.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 3.385 2.125 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 5.054 2.416 -14.360 1.00 0.00 H new ATOM 501 N GLN A 383 1.463 -0.682 -12.128 1.00 0.00 N ATOM 502 CA GLN A 383 0.291 -0.895 -12.967 1.00 0.00 C ATOM 503 C GLN A 383 -0.716 0.238 -12.795 1.00 0.00 C ATOM 504 O GLN A 383 -1.142 0.858 -13.770 1.00 0.00 O ATOM 505 CB GLN A 383 -0.367 -2.234 -12.630 1.00 0.00 C ATOM 506 CG GLN A 383 0.179 -3.401 -13.438 1.00 0.00 C ATOM 507 CD GLN A 383 -0.788 -4.565 -13.509 1.00 0.00 C ATOM 508 OE1 GLN A 383 -1.982 -4.382 -13.745 1.00 0.00 O ATOM 509 NE2 GLN A 383 -0.276 -5.774 -13.304 1.00 0.00 N ATOM 0 H GLN A 383 1.772 -1.509 -11.617 1.00 0.00 H new ATOM 0 HA GLN A 383 0.618 -0.910 -14.007 1.00 0.00 H new ATOM 0 HB2 GLN A 383 -0.228 -2.441 -11.569 1.00 0.00 H new ATOM 0 HB3 GLN A 383 -1.441 -2.155 -12.801 1.00 0.00 H new ATOM 0 HG2 GLN A 383 0.409 -3.062 -14.448 1.00 0.00 H new ATOM 0 HG3 GLN A 383 1.116 -3.738 -12.994 1.00 0.00 H new ATOM 0 HE21 GLN A 383 0.720 -5.880 -13.111 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -0.879 -6.596 -13.339 1.00 0.00 H new ATOM 518 N CYS A 384 -1.094 0.501 -11.548 1.00 0.00 N ATOM 519 CA CYS A 384 -2.052 1.558 -11.248 1.00 0.00 C ATOM 520 C CYS A 384 -1.542 2.910 -11.737 1.00 0.00 C ATOM 521 O CYS A 384 -2.084 3.486 -12.679 1.00 0.00 O ATOM 522 CB CYS A 384 -2.323 1.617 -9.744 1.00 0.00 C ATOM 523 SG CYS A 384 -3.388 2.988 -9.238 1.00 0.00 S ATOM 0 H CYS A 384 -0.752 -0.003 -10.730 1.00 0.00 H new ATOM 0 HA CYS A 384 -2.981 1.330 -11.770 1.00 0.00 H new ATOM 0 HB2 CYS A 384 -2.783 0.679 -9.432 1.00 0.00 H new ATOM 0 HB3 CYS A 384 -1.372 1.696 -9.217 1.00 0.00 H new ATOM 0 HG CYS A 384 -2.747 3.749 -8.402 1.00 0.00 H new ATOM 529 N GLY A 385 -0.496 3.413 -11.089 1.00 0.00 N ATOM 530 CA GLY A 385 0.069 4.694 -11.471 1.00 0.00 C ATOM 531 C GLY A 385 1.581 4.651 -11.581 1.00 0.00 C ATOM 532 O GLY A 385 2.135 3.829 -12.308 1.00 0.00 O ATOM 0 H GLY A 385 -0.029 2.956 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 385 -0.353 5.003 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 385 -0.218 5.447 -10.737 1.00 0.00 H new ATOM 536 N VAL A 386 2.249 5.543 -10.856 1.00 0.00 N ATOM 537 CA VAL A 386 3.706 5.605 -10.875 1.00 0.00 C ATOM 538 C VAL A 386 4.279 5.489 -9.467 1.00 0.00 C ATOM 539 O VAL A 386 3.793 6.125 -8.532 1.00 0.00 O ATOM 540 CB VAL A 386 4.204 6.915 -11.513 1.00 0.00 C ATOM 541 CG1 VAL A 386 5.708 7.058 -11.338 1.00 0.00 C ATOM 542 CG2 VAL A 386 3.822 6.969 -12.985 1.00 0.00 C ATOM 0 H VAL A 386 1.805 6.232 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 386 4.051 4.763 -11.476 1.00 0.00 H new ATOM 0 HB VAL A 386 3.723 7.751 -11.005 1.00 0.00 H new ATOM 0 HG11 VAL A 386 6.041 7.990 -11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 386 5.951 7.068 -10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 386 6.212 6.219 -11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 386 4.182 7.901 -13.420 1.00 0.00 H new ATOM 0 HG22 VAL A 386 4.273 6.126 -13.509 1.00 0.00 H new ATOM 0 HG23 VAL A 386 2.737 6.918 -13.082 1.00 0.00 H new ATOM 552 N VAL A 387 5.319 4.672 -9.323 1.00 0.00 N ATOM 553 CA VAL A 387 5.961 4.472 -8.029 1.00 0.00 C ATOM 554 C VAL A 387 7.058 5.504 -7.795 1.00 0.00 C ATOM 555 O VAL A 387 7.904 5.736 -8.660 1.00 0.00 O ATOM 556 CB VAL A 387 6.566 3.061 -7.915 1.00 0.00 C ATOM 557 CG1 VAL A 387 7.207 2.865 -6.549 1.00 0.00 C ATOM 558 CG2 VAL A 387 5.503 2.003 -8.170 1.00 0.00 C ATOM 0 H VAL A 387 5.734 4.138 -10.087 1.00 0.00 H new ATOM 0 HA VAL A 387 5.187 4.590 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 387 7.341 2.954 -8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 387 7.630 1.862 -6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 387 7.998 3.602 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.453 2.991 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 387 5.949 1.012 -8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 387 4.704 2.106 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 387 5.094 2.132 -9.172 1.00 0.00 H new ATOM 568 N LYS A 388 7.039 6.124 -6.620 1.00 0.00 N ATOM 569 CA LYS A 388 8.034 7.131 -6.270 1.00 0.00 C ATOM 570 C LYS A 388 9.446 6.570 -6.398 1.00 0.00 C ATOM 571 O LYS A 388 9.850 5.700 -5.628 1.00 0.00 O ATOM 572 CB LYS A 388 7.801 7.632 -4.842 1.00 0.00 C ATOM 573 CG LYS A 388 8.651 8.836 -4.474 1.00 0.00 C ATOM 574 CD LYS A 388 7.952 9.722 -3.457 1.00 0.00 C ATOM 575 CE LYS A 388 8.742 10.995 -3.190 1.00 0.00 C ATOM 576 NZ LYS A 388 10.062 10.706 -2.566 1.00 0.00 N ATOM 0 H LYS A 388 6.345 5.947 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 388 7.930 7.965 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.749 7.891 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.011 6.822 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 388 9.605 8.499 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 388 8.872 9.414 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.957 9.979 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.819 9.173 -2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 388 8.892 11.532 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 388 8.166 11.650 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 10.519 11.599 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 9.925 10.113 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 10.666 10.204 -3.248 1.00 0.00 H new ATOM 590 N MET A 389 10.191 7.075 -7.376 1.00 0.00 N ATOM 591 CA MET A 389 11.560 6.624 -7.602 1.00 0.00 C ATOM 592 C MET A 389 12.563 7.683 -7.155 1.00 0.00 C ATOM 593 O MET A 389 12.540 8.814 -7.637 1.00 0.00 O ATOM 594 CB MET A 389 11.773 6.296 -9.082 1.00 0.00 C ATOM 595 CG MET A 389 11.082 5.018 -9.526 1.00 0.00 C ATOM 596 SD MET A 389 11.876 3.536 -8.875 1.00 0.00 S ATOM 597 CE MET A 389 13.568 3.800 -9.400 1.00 0.00 C ATOM 0 H MET A 389 9.871 7.795 -8.024 1.00 0.00 H new ATOM 0 HA MET A 389 11.722 5.723 -7.010 1.00 0.00 H new ATOM 0 HB2 MET A 389 11.407 7.126 -9.686 1.00 0.00 H new ATOM 0 HB3 MET A 389 12.842 6.208 -9.276 1.00 0.00 H new ATOM 0 HG2 MET A 389 10.042 5.040 -9.201 1.00 0.00 H new ATOM 0 HG3 MET A 389 11.075 4.973 -10.615 1.00 0.00 H new ATOM 0 HE1 MET A 389 14.121 2.863 -9.331 1.00 0.00 H new ATOM 0 HE2 MET A 389 13.578 4.152 -10.432 1.00 0.00 H new ATOM 0 HE3 MET A 389 14.036 4.546 -8.758 1.00 0.00 H new ATOM 607 N ASN A 390 13.440 7.308 -6.229 1.00 0.00 N ATOM 608 CA ASN A 390 14.449 8.227 -5.716 1.00 0.00 C ATOM 609 C ASN A 390 15.167 8.939 -6.858 1.00 0.00 C ATOM 610 O ASN A 390 15.342 8.379 -7.941 1.00 0.00 O ATOM 611 CB ASN A 390 15.463 7.474 -4.852 1.00 0.00 C ATOM 612 CG ASN A 390 16.100 8.362 -3.802 1.00 0.00 C ATOM 613 OD1 ASN A 390 16.315 9.553 -4.028 1.00 0.00 O ATOM 614 ND2 ASN A 390 16.407 7.786 -2.645 1.00 0.00 N ATOM 0 H ASN A 390 13.472 6.375 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 390 13.945 8.975 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 390 14.967 6.635 -4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 390 16.241 7.056 -5.491 1.00 0.00 H new ATOM 0 HD21 ASN A 390 16.839 8.334 -1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 390 16.211 6.795 -2.501 1.00 0.00 H new ATOM 621 N LYS A 391 15.583 10.176 -6.609 1.00 0.00 N ATOM 622 CA LYS A 391 16.285 10.966 -7.615 1.00 0.00 C ATOM 623 C LYS A 391 17.795 10.839 -7.448 1.00 0.00 C ATOM 624 O LYS A 391 18.557 11.122 -8.373 1.00 0.00 O ATOM 625 CB LYS A 391 15.872 12.436 -7.517 1.00 0.00 C ATOM 626 CG LYS A 391 14.392 12.670 -7.769 1.00 0.00 C ATOM 627 CD LYS A 391 13.586 12.569 -6.486 1.00 0.00 C ATOM 628 CE LYS A 391 13.818 13.772 -5.585 1.00 0.00 C ATOM 629 NZ LYS A 391 13.650 13.428 -4.146 1.00 0.00 N ATOM 0 H LYS A 391 15.446 10.654 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 391 16.012 10.583 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 391 16.127 12.811 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 391 16.451 13.016 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 391 14.249 13.655 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 391 14.024 11.939 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 391 12.526 12.493 -6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 391 13.859 11.657 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 391 14.823 14.161 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 391 13.121 14.566 -5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 13.816 14.274 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 12.683 13.080 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 14.333 12.689 -3.884 1.00 0.00 H new ATOM 643 N ARG A 392 18.222 10.410 -6.265 1.00 0.00 N ATOM 644 CA ARG A 392 19.643 10.247 -5.978 1.00 0.00 C ATOM 645 C ARG A 392 20.074 8.797 -6.179 1.00 0.00 C ATOM 646 O ARG A 392 21.096 8.523 -6.810 1.00 0.00 O ATOM 647 CB ARG A 392 19.950 10.687 -4.546 1.00 0.00 C ATOM 648 CG ARG A 392 21.369 10.370 -4.102 1.00 0.00 C ATOM 649 CD ARG A 392 21.715 11.071 -2.798 1.00 0.00 C ATOM 650 NE ARG A 392 21.982 12.493 -2.995 1.00 0.00 N ATOM 651 CZ ARG A 392 22.676 13.236 -2.141 1.00 0.00 C ATOM 652 NH1 ARG A 392 23.171 12.694 -1.037 1.00 0.00 N ATOM 653 NH2 ARG A 392 22.877 14.524 -2.390 1.00 0.00 N ATOM 0 H ARG A 392 17.605 10.169 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 392 20.203 10.875 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 392 19.783 11.761 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 392 19.249 10.201 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 392 21.480 9.293 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 392 22.071 10.676 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 392 20.893 10.951 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 392 22.589 10.596 -2.352 1.00 0.00 H new ATOM 0 HE ARG A 392 21.615 12.940 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 392 23.019 11.704 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 392 23.704 13.267 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 392 22.498 14.945 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 392 23.410 15.093 -1.733 1.00 0.00 H new ATOM 667 N THR A 393 19.288 7.871 -5.640 1.00 0.00 N ATOM 668 CA THR A 393 19.588 6.449 -5.758 1.00 0.00 C ATOM 669 C THR A 393 18.924 5.848 -6.991 1.00 0.00 C ATOM 670 O THR A 393 19.348 4.807 -7.491 1.00 0.00 O ATOM 671 CB THR A 393 19.128 5.672 -4.510 1.00 0.00 C ATOM 672 OG1 THR A 393 17.751 5.951 -4.239 1.00 0.00 O ATOM 673 CG2 THR A 393 19.974 6.041 -3.301 1.00 0.00 C ATOM 0 H THR A 393 18.438 8.080 -5.117 1.00 0.00 H new ATOM 0 HA THR A 393 20.670 6.361 -5.852 1.00 0.00 H new ATOM 0 HB THR A 393 19.250 4.607 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 393 17.466 5.452 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 393 19.631 5.480 -2.432 1.00 0.00 H new ATOM 0 HG22 THR A 393 21.018 5.799 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 393 19.880 7.109 -3.104 1.00 0.00 H new ATOM 681 N GLY A 394 17.879 6.510 -7.478 1.00 0.00 N ATOM 682 CA GLY A 394 17.173 6.026 -8.649 1.00 0.00 C ATOM 683 C GLY A 394 16.474 4.705 -8.400 1.00 0.00 C ATOM 684 O GLY A 394 16.277 3.915 -9.323 1.00 0.00 O ATOM 0 H GLY A 394 17.509 7.374 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 394 16.439 6.769 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 394 17.878 5.911 -9.472 1.00 0.00 H new ATOM 688 N GLN A 395 16.097 4.464 -7.148 1.00 0.00 N ATOM 689 CA GLN A 395 15.418 3.228 -6.779 1.00 0.00 C ATOM 690 C GLN A 395 14.014 3.513 -6.255 1.00 0.00 C ATOM 691 O GLN A 395 13.730 4.588 -5.726 1.00 0.00 O ATOM 692 CB GLN A 395 16.225 2.472 -5.723 1.00 0.00 C ATOM 693 CG GLN A 395 17.620 2.082 -6.187 1.00 0.00 C ATOM 694 CD GLN A 395 17.603 1.279 -7.473 1.00 0.00 C ATOM 695 OE1 GLN A 395 18.144 1.707 -8.493 1.00 0.00 O ATOM 696 NE2 GLN A 395 16.981 0.107 -7.431 1.00 0.00 N ATOM 0 H GLN A 395 16.250 5.109 -6.373 1.00 0.00 H new ATOM 0 HA GLN A 395 15.334 2.610 -7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 395 16.308 3.091 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 395 15.681 1.572 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 395 18.215 2.983 -6.333 1.00 0.00 H new ATOM 0 HG3 GLN A 395 18.109 1.500 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 395 16.546 -0.209 -6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 395 16.938 -0.478 -8.266 1.00 0.00 H new ATOM 705 N PRO A 396 13.114 2.530 -6.404 1.00 0.00 N ATOM 706 CA PRO A 396 11.725 2.653 -5.952 1.00 0.00 C ATOM 707 C PRO A 396 11.610 2.661 -4.431 1.00 0.00 C ATOM 708 O PRO A 396 12.390 2.011 -3.737 1.00 0.00 O ATOM 709 CB PRO A 396 11.052 1.407 -6.532 1.00 0.00 C ATOM 710 CG PRO A 396 12.157 0.420 -6.694 1.00 0.00 C ATOM 711 CD PRO A 396 13.384 1.223 -7.026 1.00 0.00 C ATOM 0 HA PRO A 396 11.272 3.589 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 396 10.278 1.028 -5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 396 10.572 1.624 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 396 12.303 -0.156 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 396 11.931 -0.293 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 396 14.286 0.764 -6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 396 13.527 1.312 -8.103 1.00 0.00 H new ATOM 719 N MET A 397 10.630 3.400 -3.922 1.00 0.00 N ATOM 720 CA MET A 397 10.412 3.490 -2.482 1.00 0.00 C ATOM 721 C MET A 397 9.633 2.282 -1.974 1.00 0.00 C ATOM 722 O MET A 397 8.737 2.416 -1.139 1.00 0.00 O ATOM 723 CB MET A 397 9.660 4.778 -2.139 1.00 0.00 C ATOM 724 CG MET A 397 10.414 6.042 -2.522 1.00 0.00 C ATOM 725 SD MET A 397 11.480 6.643 -1.198 1.00 0.00 S ATOM 726 CE MET A 397 13.052 6.746 -2.050 1.00 0.00 C ATOM 0 H MET A 397 9.975 3.944 -4.483 1.00 0.00 H new ATOM 0 HA MET A 397 11.385 3.504 -1.992 1.00 0.00 H new ATOM 0 HB2 MET A 397 8.695 4.772 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 397 9.457 4.796 -1.068 1.00 0.00 H new ATOM 0 HG2 MET A 397 11.017 5.846 -3.408 1.00 0.00 H new ATOM 0 HG3 MET A 397 9.699 6.820 -2.789 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.817 7.104 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 397 13.331 5.759 -2.420 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.967 7.437 -2.889 1.00 0.00 H new ATOM 736 N ILE A 398 9.979 1.104 -2.481 1.00 0.00 N ATOM 737 CA ILE A 398 9.312 -0.127 -2.076 1.00 0.00 C ATOM 738 C ILE A 398 10.131 -0.880 -1.034 1.00 0.00 C ATOM 739 O ILE A 398 11.348 -1.015 -1.165 1.00 0.00 O ATOM 740 CB ILE A 398 9.060 -1.053 -3.281 1.00 0.00 C ATOM 741 CG1 ILE A 398 8.065 -0.408 -4.248 1.00 0.00 C ATOM 742 CG2 ILE A 398 8.547 -2.407 -2.811 1.00 0.00 C ATOM 743 CD1 ILE A 398 7.908 -1.165 -5.548 1.00 0.00 C ATOM 0 H ILE A 398 10.717 0.976 -3.173 1.00 0.00 H new ATOM 0 HA ILE A 398 8.355 0.162 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 398 10.003 -1.205 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 398 7.093 -0.334 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 398 8.390 0.609 -4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 398 8.374 -3.050 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 398 9.286 -2.869 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 398 7.613 -2.273 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 398 7.188 -0.650 -6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 398 8.870 -1.217 -6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 398 7.553 -2.174 -5.341 1.00 0.00 H new ATOM 755 N HIS A 399 9.457 -1.371 0.000 1.00 0.00 N ATOM 756 CA HIS A 399 10.122 -2.113 1.065 1.00 0.00 C ATOM 757 C HIS A 399 9.641 -3.560 1.102 1.00 0.00 C ATOM 758 O HIS A 399 8.458 -3.836 0.903 1.00 0.00 O ATOM 759 CB HIS A 399 9.870 -1.445 2.417 1.00 0.00 C ATOM 760 CG HIS A 399 11.004 -1.597 3.382 1.00 0.00 C ATOM 761 ND1 HIS A 399 12.157 -0.843 3.315 1.00 0.00 N ATOM 762 CD2 HIS A 399 11.159 -2.423 4.444 1.00 0.00 C ATOM 763 CE1 HIS A 399 12.971 -1.200 4.292 1.00 0.00 C ATOM 764 NE2 HIS A 399 12.389 -2.156 4.992 1.00 0.00 N ATOM 0 H HIS A 399 8.450 -1.269 0.123 1.00 0.00 H new ATOM 0 HA HIS A 399 11.193 -2.110 0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 399 9.679 -0.384 2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 399 8.968 -1.868 2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 399 10.447 -3.156 4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 399 13.947 -0.781 4.485 1.00 0.00 H new ATOM 0 HE2 HIS A 399 12.788 -2.621 5.807 1.00 0.00 H new ATOM 772 N ILE A 400 10.565 -4.480 1.356 1.00 0.00 N ATOM 773 CA ILE A 400 10.234 -5.898 1.419 1.00 0.00 C ATOM 774 C ILE A 400 10.869 -6.558 2.639 1.00 0.00 C ATOM 775 O ILE A 400 12.018 -6.997 2.591 1.00 0.00 O ATOM 776 CB ILE A 400 10.693 -6.640 0.150 1.00 0.00 C ATOM 777 CG1 ILE A 400 10.007 -6.055 -1.086 1.00 0.00 C ATOM 778 CG2 ILE A 400 10.400 -8.128 0.271 1.00 0.00 C ATOM 779 CD1 ILE A 400 10.429 -6.714 -2.380 1.00 0.00 C ATOM 0 H ILE A 400 11.549 -4.269 1.522 1.00 0.00 H new ATOM 0 HA ILE A 400 9.149 -5.965 1.497 1.00 0.00 H new ATOM 0 HB ILE A 400 11.770 -6.509 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 400 8.927 -6.153 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 400 10.226 -4.989 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 400 10.730 -8.639 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 400 10.931 -8.535 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 400 9.328 -8.278 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 400 9.903 -6.249 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 400 11.504 -6.593 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 400 10.185 -7.776 -2.344 1.00 0.00 H new ATOM 791 N TYR A 401 10.114 -6.625 3.729 1.00 0.00 N ATOM 792 CA TYR A 401 10.603 -7.231 4.961 1.00 0.00 C ATOM 793 C TYR A 401 10.983 -8.692 4.737 1.00 0.00 C ATOM 794 O TYR A 401 10.159 -9.502 4.309 1.00 0.00 O ATOM 795 CB TYR A 401 9.543 -7.131 6.059 1.00 0.00 C ATOM 796 CG TYR A 401 8.891 -5.770 6.149 1.00 0.00 C ATOM 797 CD1 TYR A 401 7.849 -5.420 5.299 1.00 0.00 C ATOM 798 CD2 TYR A 401 9.316 -4.834 7.082 1.00 0.00 C ATOM 799 CE1 TYR A 401 7.250 -4.178 5.375 1.00 0.00 C ATOM 800 CE2 TYR A 401 8.722 -3.589 7.168 1.00 0.00 C ATOM 801 CZ TYR A 401 7.689 -3.266 6.312 1.00 0.00 C ATOM 802 OH TYR A 401 7.097 -2.027 6.393 1.00 0.00 O ATOM 0 H TYR A 401 9.161 -6.267 3.785 1.00 0.00 H new ATOM 0 HA TYR A 401 11.494 -6.687 5.274 1.00 0.00 H new ATOM 0 HB2 TYR A 401 8.774 -7.882 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 401 10.002 -7.369 7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 401 7.501 -6.132 4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 401 10.125 -5.083 7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 401 6.443 -3.922 4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 401 9.064 -2.873 7.901 1.00 0.00 H new ATOM 0 HH TYR A 401 7.523 -1.507 7.106 1.00 0.00 H new ATOM 812 N LEU A 402 12.236 -9.021 5.030 1.00 0.00 N ATOM 813 CA LEU A 402 12.727 -10.385 4.861 1.00 0.00 C ATOM 814 C LEU A 402 12.923 -11.064 6.213 1.00 0.00 C ATOM 815 O LEU A 402 13.453 -10.465 7.150 1.00 0.00 O ATOM 816 CB LEU A 402 14.045 -10.381 4.085 1.00 0.00 C ATOM 817 CG LEU A 402 14.046 -9.602 2.769 1.00 0.00 C ATOM 818 CD1 LEU A 402 15.440 -9.583 2.162 1.00 0.00 C ATOM 819 CD2 LEU A 402 13.045 -10.204 1.793 1.00 0.00 C ATOM 0 H LEU A 402 12.930 -8.363 5.385 1.00 0.00 H new ATOM 0 HA LEU A 402 11.982 -10.946 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 402 14.822 -9.968 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 402 14.322 -11.414 3.873 1.00 0.00 H new ATOM 0 HG LEU A 402 13.748 -8.574 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 402 15.422 -9.024 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 402 16.132 -9.106 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 402 15.766 -10.605 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 402 13.059 -9.637 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 402 13.313 -11.241 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 402 12.046 -10.165 2.227 1.00 0.00 H new ATOM 831 N ASP A 403 12.493 -12.317 6.308 1.00 0.00 N ATOM 832 CA ASP A 403 12.624 -13.080 7.544 1.00 0.00 C ATOM 833 C ASP A 403 14.075 -13.111 8.012 1.00 0.00 C ATOM 834 O ASP A 403 14.988 -13.359 7.224 1.00 0.00 O ATOM 835 CB ASP A 403 12.108 -14.507 7.346 1.00 0.00 C ATOM 836 CG ASP A 403 11.546 -15.101 8.622 1.00 0.00 C ATOM 837 OD1 ASP A 403 10.469 -14.648 9.063 1.00 0.00 O ATOM 838 OD2 ASP A 403 12.183 -16.019 9.179 1.00 0.00 O ATOM 0 H ASP A 403 12.050 -12.827 5.543 1.00 0.00 H new ATOM 0 HA ASP A 403 12.024 -12.589 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 403 11.335 -14.508 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 403 12.920 -15.137 6.982 1.00 0.00 H new ATOM 843 N LYS A 404 14.282 -12.858 9.300 1.00 0.00 N ATOM 844 CA LYS A 404 15.622 -12.857 9.874 1.00 0.00 C ATOM 845 C LYS A 404 16.094 -14.280 10.157 1.00 0.00 C ATOM 846 O LYS A 404 17.246 -14.498 10.530 1.00 0.00 O ATOM 847 CB LYS A 404 15.645 -12.035 11.165 1.00 0.00 C ATOM 848 CG LYS A 404 15.024 -12.750 12.352 1.00 0.00 C ATOM 849 CD LYS A 404 13.511 -12.601 12.364 1.00 0.00 C ATOM 850 CE LYS A 404 12.929 -12.934 13.729 1.00 0.00 C ATOM 851 NZ LYS A 404 13.208 -11.865 14.727 1.00 0.00 N ATOM 0 H LYS A 404 13.538 -12.651 9.966 1.00 0.00 H new ATOM 0 HA LYS A 404 16.300 -12.405 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 404 16.677 -11.779 11.405 1.00 0.00 H new ATOM 0 HB3 LYS A 404 15.115 -11.097 10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 404 15.286 -13.807 12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 404 15.437 -12.348 13.277 1.00 0.00 H new ATOM 0 HD2 LYS A 404 13.243 -11.580 12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 404 13.074 -13.257 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 404 11.852 -13.075 13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 404 13.346 -13.877 14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 12.619 -12.016 15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 14.212 -11.895 14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 12.988 -10.937 14.312 1.00 0.00 H new ATOM 865 N GLU A 405 15.196 -15.244 9.975 1.00 0.00 N ATOM 866 CA GLU A 405 15.523 -16.645 10.210 1.00 0.00 C ATOM 867 C GLU A 405 15.885 -17.346 8.903 1.00 0.00 C ATOM 868 O GLU A 405 16.574 -18.366 8.903 1.00 0.00 O ATOM 869 CB GLU A 405 14.346 -17.361 10.877 1.00 0.00 C ATOM 870 CG GLU A 405 13.565 -16.482 11.839 1.00 0.00 C ATOM 871 CD GLU A 405 12.950 -17.269 12.980 1.00 0.00 C ATOM 872 OE1 GLU A 405 11.831 -17.796 12.802 1.00 0.00 O ATOM 873 OE2 GLU A 405 13.587 -17.357 14.050 1.00 0.00 O ATOM 0 H GLU A 405 14.238 -15.080 9.666 1.00 0.00 H new ATOM 0 HA GLU A 405 16.386 -16.684 10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 405 13.671 -17.729 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 405 14.719 -18.232 11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 405 14.227 -15.717 12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 405 12.776 -15.964 11.293 1.00 0.00 H new ATOM 880 N THR A 406 15.414 -16.791 7.791 1.00 0.00 N ATOM 881 CA THR A 406 15.685 -17.362 6.478 1.00 0.00 C ATOM 882 C THR A 406 16.245 -16.311 5.527 1.00 0.00 C ATOM 883 O THR A 406 17.104 -16.606 4.697 1.00 0.00 O ATOM 884 CB THR A 406 14.415 -17.974 5.858 1.00 0.00 C ATOM 885 OG1 THR A 406 13.424 -16.957 5.666 1.00 0.00 O ATOM 886 CG2 THR A 406 13.853 -19.073 6.748 1.00 0.00 C ATOM 0 H THR A 406 14.843 -15.946 7.774 1.00 0.00 H new ATOM 0 HA THR A 406 16.425 -18.149 6.622 1.00 0.00 H new ATOM 0 HB THR A 406 14.682 -18.409 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 406 12.620 -17.354 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 406 12.956 -19.490 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 406 14.598 -19.859 6.869 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.602 -18.658 7.724 1.00 0.00 H new ATOM 894 N GLY A 407 15.755 -15.082 5.653 1.00 0.00 N ATOM 895 CA GLY A 407 16.219 -14.006 4.798 1.00 0.00 C ATOM 896 C GLY A 407 15.332 -13.805 3.585 1.00 0.00 C ATOM 897 O GLY A 407 15.595 -12.938 2.751 1.00 0.00 O ATOM 0 H GLY A 407 15.044 -14.812 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.258 -13.081 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 407 17.236 -14.220 4.469 1.00 0.00 H new ATOM 901 N LYS A 408 14.280 -14.610 3.484 1.00 0.00 N ATOM 902 CA LYS A 408 13.350 -14.518 2.365 1.00 0.00 C ATOM 903 C LYS A 408 12.207 -13.561 2.684 1.00 0.00 C ATOM 904 O LYS A 408 11.887 -13.302 3.844 1.00 0.00 O ATOM 905 CB LYS A 408 12.791 -15.901 2.024 1.00 0.00 C ATOM 906 CG LYS A 408 13.737 -17.040 2.363 1.00 0.00 C ATOM 907 CD LYS A 408 15.025 -16.954 1.560 1.00 0.00 C ATOM 908 CE LYS A 408 15.616 -18.331 1.306 1.00 0.00 C ATOM 909 NZ LYS A 408 16.692 -18.292 0.276 1.00 0.00 N ATOM 0 H LYS A 408 14.050 -15.334 4.164 1.00 0.00 H new ATOM 0 HA LYS A 408 13.895 -14.131 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 408 11.853 -16.047 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 408 12.559 -15.937 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 408 13.969 -17.017 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 408 13.246 -17.993 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 408 14.829 -16.460 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 408 15.749 -16.339 2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 408 16.019 -18.731 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 408 14.828 -19.010 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 17.069 -19.250 0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 16.302 -17.935 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 17.456 -17.664 0.596 1.00 0.00 H new ATOM 923 N PRO A 409 11.574 -13.022 1.631 1.00 0.00 N ATOM 924 CA PRO A 409 10.454 -12.087 1.774 1.00 0.00 C ATOM 925 C PRO A 409 9.197 -12.764 2.307 1.00 0.00 C ATOM 926 O PRO A 409 8.366 -13.247 1.539 1.00 0.00 O ATOM 927 CB PRO A 409 10.226 -11.585 0.346 1.00 0.00 C ATOM 928 CG PRO A 409 10.747 -12.675 -0.526 1.00 0.00 C ATOM 929 CD PRO A 409 11.901 -13.286 0.220 1.00 0.00 C ATOM 0 HA PRO A 409 10.674 -11.295 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 409 9.169 -11.397 0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 409 10.753 -10.648 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 409 9.975 -13.418 -0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 409 11.070 -12.283 -1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 409 11.988 -14.354 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 409 12.850 -12.831 -0.065 1.00 0.00 H new ATOM 937 N LYS A 410 9.063 -12.795 3.629 1.00 0.00 N ATOM 938 CA LYS A 410 7.906 -13.412 4.267 1.00 0.00 C ATOM 939 C LYS A 410 6.669 -13.295 3.381 1.00 0.00 C ATOM 940 O LYS A 410 6.026 -14.293 3.063 1.00 0.00 O ATOM 941 CB LYS A 410 7.638 -12.759 5.625 1.00 0.00 C ATOM 942 CG LYS A 410 7.881 -11.259 5.637 1.00 0.00 C ATOM 943 CD LYS A 410 8.162 -10.752 7.041 1.00 0.00 C ATOM 944 CE LYS A 410 6.898 -10.716 7.885 1.00 0.00 C ATOM 945 NZ LYS A 410 6.646 -12.019 8.561 1.00 0.00 N ATOM 0 H LYS A 410 9.742 -12.400 4.280 1.00 0.00 H new ATOM 0 HA LYS A 410 8.125 -14.469 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 410 6.605 -12.954 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.274 -13.228 6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.723 -11.021 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 410 7.010 -10.745 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.902 -11.394 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.594 -9.753 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 410 6.984 -9.929 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 410 6.046 -10.464 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 5.727 -12.398 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 7.399 -12.691 8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 6.635 -11.879 9.591 1.00 0.00 H new ATOM 959 N GLY A 411 6.344 -12.067 2.986 1.00 0.00 N ATOM 960 CA GLY A 411 5.187 -11.843 2.140 1.00 0.00 C ATOM 961 C GLY A 411 4.652 -10.429 2.252 1.00 0.00 C ATOM 962 O GLY A 411 3.864 -9.988 1.415 1.00 0.00 O ATOM 0 H GLY A 411 6.861 -11.225 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 411 5.454 -12.046 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 411 4.401 -12.548 2.410 1.00 0.00 H new ATOM 966 N ASP A 412 5.079 -9.718 3.289 1.00 0.00 N ATOM 967 CA ASP A 412 4.638 -8.345 3.508 1.00 0.00 C ATOM 968 C ASP A 412 5.585 -7.356 2.838 1.00 0.00 C ATOM 969 O ASP A 412 6.765 -7.646 2.643 1.00 0.00 O ATOM 970 CB ASP A 412 4.547 -8.049 5.006 1.00 0.00 C ATOM 971 CG ASP A 412 5.889 -8.166 5.702 1.00 0.00 C ATOM 972 OD1 ASP A 412 6.865 -8.577 5.041 1.00 0.00 O ATOM 973 OD2 ASP A 412 5.963 -7.849 6.907 1.00 0.00 O ATOM 0 H ASP A 412 5.730 -10.069 3.991 1.00 0.00 H new ATOM 0 HA ASP A 412 3.650 -8.232 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 412 4.152 -7.044 5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 412 3.840 -8.739 5.467 1.00 0.00 H new ATOM 978 N ALA A 413 5.061 -6.186 2.486 1.00 0.00 N ATOM 979 CA ALA A 413 5.860 -5.155 1.838 1.00 0.00 C ATOM 980 C ALA A 413 5.128 -3.816 1.832 1.00 0.00 C ATOM 981 O ALA A 413 3.973 -3.727 2.247 1.00 0.00 O ATOM 982 CB ALA A 413 6.211 -5.572 0.417 1.00 0.00 C ATOM 0 H ALA A 413 4.086 -5.929 2.639 1.00 0.00 H new ATOM 0 HA ALA A 413 6.782 -5.034 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 413 6.808 -4.791 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 413 6.781 -6.501 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 413 5.295 -5.723 -0.155 1.00 0.00 H new ATOM 988 N THR A 414 5.809 -2.776 1.359 1.00 0.00 N ATOM 989 CA THR A 414 5.225 -1.442 1.301 1.00 0.00 C ATOM 990 C THR A 414 5.648 -0.711 0.032 1.00 0.00 C ATOM 991 O THR A 414 6.781 -0.850 -0.427 1.00 0.00 O ATOM 992 CB THR A 414 5.628 -0.599 2.526 1.00 0.00 C ATOM 993 OG1 THR A 414 7.000 -0.841 2.856 1.00 0.00 O ATOM 994 CG2 THR A 414 4.747 -0.926 3.722 1.00 0.00 C ATOM 0 H THR A 414 6.766 -2.833 1.011 1.00 0.00 H new ATOM 0 HA THR A 414 4.143 -1.570 1.298 1.00 0.00 H new ATOM 0 HB THR A 414 5.495 0.453 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 414 7.249 -0.300 3.634 1.00 0.00 H new ATOM 0 HG21 THR A 414 5.051 -0.318 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 414 3.707 -0.713 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 414 4.852 -1.982 3.973 1.00 0.00 H new ATOM 1002 N VAL A 415 4.730 0.069 -0.529 1.00 0.00 N ATOM 1003 CA VAL A 415 5.010 0.824 -1.745 1.00 0.00 C ATOM 1004 C VAL A 415 4.597 2.284 -1.592 1.00 0.00 C ATOM 1005 O VAL A 415 3.428 2.588 -1.357 1.00 0.00 O ATOM 1006 CB VAL A 415 4.280 0.221 -2.960 1.00 0.00 C ATOM 1007 CG1 VAL A 415 4.655 0.966 -4.232 1.00 0.00 C ATOM 1008 CG2 VAL A 415 4.596 -1.262 -3.089 1.00 0.00 C ATOM 0 H VAL A 415 3.787 0.195 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 415 6.086 0.769 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 415 3.206 0.329 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 415 4.130 0.526 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 415 4.374 2.015 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 415 5.730 0.892 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 415 4.072 -1.672 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 415 5.670 -1.395 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 415 4.273 -1.783 -2.188 1.00 0.00 H new ATOM 1018 N SER A 416 5.566 3.183 -1.728 1.00 0.00 N ATOM 1019 CA SER A 416 5.305 4.613 -1.602 1.00 0.00 C ATOM 1020 C SER A 416 5.055 5.242 -2.969 1.00 0.00 C ATOM 1021 O SER A 416 5.951 5.300 -3.811 1.00 0.00 O ATOM 1022 CB SER A 416 6.481 5.309 -0.915 1.00 0.00 C ATOM 1023 OG SER A 416 6.318 5.315 0.493 1.00 0.00 O ATOM 0 H SER A 416 6.539 2.947 -1.925 1.00 0.00 H new ATOM 0 HA SER A 416 4.410 4.742 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 416 7.410 4.802 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 416 6.565 6.333 -1.279 1.00 0.00 H new ATOM 0 HG SER A 416 7.083 5.764 0.909 1.00 0.00 H new ATOM 1029 N TYR A 417 3.830 5.713 -3.182 1.00 0.00 N ATOM 1030 CA TYR A 417 3.461 6.336 -4.447 1.00 0.00 C ATOM 1031 C TYR A 417 3.796 7.825 -4.439 1.00 0.00 C ATOM 1032 O TYR A 417 4.000 8.420 -3.382 1.00 0.00 O ATOM 1033 CB TYR A 417 1.968 6.140 -4.718 1.00 0.00 C ATOM 1034 CG TYR A 417 1.618 4.748 -5.193 1.00 0.00 C ATOM 1035 CD1 TYR A 417 1.903 4.341 -6.490 1.00 0.00 C ATOM 1036 CD2 TYR A 417 1.000 3.839 -4.342 1.00 0.00 C ATOM 1037 CE1 TYR A 417 1.584 3.071 -6.928 1.00 0.00 C ATOM 1038 CE2 TYR A 417 0.678 2.565 -4.772 1.00 0.00 C ATOM 1039 CZ TYR A 417 0.971 2.186 -6.065 1.00 0.00 C ATOM 1040 OH TYR A 417 0.653 0.919 -6.496 1.00 0.00 O ATOM 0 H TYR A 417 3.077 5.675 -2.495 1.00 0.00 H new ATOM 0 HA TYR A 417 4.035 5.857 -5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 417 1.410 6.355 -3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 417 1.645 6.863 -5.467 1.00 0.00 H new ATOM 0 HD1 TYR A 417 2.383 5.031 -7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 417 0.768 4.133 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 417 1.813 2.772 -7.940 1.00 0.00 H new ATOM 0 HE2 TYR A 417 0.199 1.870 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 417 1.029 0.774 -7.389 1.00 0.00 H new ATOM 1050 N GLU A 418 3.850 8.418 -5.628 1.00 0.00 N ATOM 1051 CA GLU A 418 4.161 9.837 -5.759 1.00 0.00 C ATOM 1052 C GLU A 418 3.187 10.684 -4.947 1.00 0.00 C ATOM 1053 O GLU A 418 3.574 11.342 -3.981 1.00 0.00 O ATOM 1054 CB GLU A 418 4.119 10.257 -7.229 1.00 0.00 C ATOM 1055 CG GLU A 418 5.197 9.605 -8.081 1.00 0.00 C ATOM 1056 CD GLU A 418 6.475 10.419 -8.125 1.00 0.00 C ATOM 1057 OE1 GLU A 418 7.294 10.287 -7.190 1.00 0.00 O ATOM 1058 OE2 GLU A 418 6.658 11.186 -9.092 1.00 0.00 O ATOM 0 H GLU A 418 3.683 7.939 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 418 5.167 10.000 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 418 3.141 10.007 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 418 4.224 11.340 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.416 8.613 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 418 4.821 9.470 -9.095 1.00 0.00 H new ATOM 1065 N ASP A 419 1.920 10.664 -5.347 1.00 0.00 N ATOM 1066 CA ASP A 419 0.888 11.430 -4.659 1.00 0.00 C ATOM 1067 C ASP A 419 -0.144 10.503 -4.025 1.00 0.00 C ATOM 1068 O ASP A 419 -0.312 9.352 -4.427 1.00 0.00 O ATOM 1069 CB ASP A 419 0.201 12.391 -5.630 1.00 0.00 C ATOM 1070 CG ASP A 419 1.186 13.088 -6.549 1.00 0.00 C ATOM 1071 OD1 ASP A 419 1.824 14.064 -6.103 1.00 0.00 O ATOM 1072 OD2 ASP A 419 1.317 12.657 -7.714 1.00 0.00 O ATOM 0 H ASP A 419 1.583 10.125 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 419 1.366 12.008 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 419 -0.524 11.840 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -0.355 13.138 -5.064 1.00 0.00 H new ATOM 1077 N PRO A 420 -0.855 11.016 -3.008 1.00 0.00 N ATOM 1078 CA PRO A 420 -1.883 10.250 -2.297 1.00 0.00 C ATOM 1079 C PRO A 420 -2.970 9.730 -3.232 1.00 0.00 C ATOM 1080 O PRO A 420 -3.409 8.584 -3.136 1.00 0.00 O ATOM 1081 CB PRO A 420 -2.466 11.268 -1.313 1.00 0.00 C ATOM 1082 CG PRO A 420 -1.410 12.311 -1.178 1.00 0.00 C ATOM 1083 CD PRO A 420 -0.709 12.380 -2.476 1.00 0.00 C ATOM 0 HA PRO A 420 -1.471 9.361 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -3.397 11.693 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -2.691 10.806 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -1.850 13.276 -0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -0.716 12.057 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -1.158 13.121 -3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 420 0.339 12.655 -2.354 1.00 0.00 H new ATOM 1091 N PRO A 421 -3.415 10.592 -4.159 1.00 0.00 N ATOM 1092 CA PRO A 421 -4.455 10.241 -5.131 1.00 0.00 C ATOM 1093 C PRO A 421 -4.153 8.934 -5.858 1.00 0.00 C ATOM 1094 O PRO A 421 -5.063 8.217 -6.272 1.00 0.00 O ATOM 1095 CB PRO A 421 -4.437 11.416 -6.111 1.00 0.00 C ATOM 1096 CG PRO A 421 -3.882 12.554 -5.326 1.00 0.00 C ATOM 1097 CD PRO A 421 -2.937 11.974 -4.331 1.00 0.00 C ATOM 0 HA PRO A 421 -5.422 10.082 -4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 421 -3.819 11.196 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 421 -5.438 11.640 -6.479 1.00 0.00 H new ATOM 0 HG2 PRO A 421 -3.369 13.260 -5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 421 -4.680 13.104 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 421 -1.909 12.000 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 421 -2.958 12.525 -3.391 1.00 0.00 H new ATOM 1105 N THR A 422 -2.868 8.632 -6.010 1.00 0.00 N ATOM 1106 CA THR A 422 -2.446 7.413 -6.688 1.00 0.00 C ATOM 1107 C THR A 422 -2.392 6.235 -5.721 1.00 0.00 C ATOM 1108 O THR A 422 -2.768 5.117 -6.068 1.00 0.00 O ATOM 1109 CB THR A 422 -1.063 7.585 -7.344 1.00 0.00 C ATOM 1110 OG1 THR A 422 -1.071 8.725 -8.212 1.00 0.00 O ATOM 1111 CG2 THR A 422 -0.679 6.343 -8.134 1.00 0.00 C ATOM 0 H THR A 422 -2.102 9.215 -5.673 1.00 0.00 H new ATOM 0 HA THR A 422 -3.186 7.211 -7.462 1.00 0.00 H new ATOM 0 HB THR A 422 -0.327 7.735 -6.554 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.188 8.829 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 422 0.301 6.489 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 422 -0.645 5.483 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 422 -1.418 6.166 -8.916 1.00 0.00 H new ATOM 1119 N ALA A 423 -1.925 6.495 -4.504 1.00 0.00 N ATOM 1120 CA ALA A 423 -1.826 5.458 -3.485 1.00 0.00 C ATOM 1121 C ALA A 423 -3.200 4.897 -3.138 1.00 0.00 C ATOM 1122 O ALA A 423 -3.420 3.687 -3.191 1.00 0.00 O ATOM 1123 CB ALA A 423 -1.146 6.005 -2.238 1.00 0.00 C ATOM 0 H ALA A 423 -1.609 7.416 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 423 -1.221 4.645 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -1.079 5.219 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.144 6.350 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.727 6.838 -1.842 1.00 0.00 H new ATOM 1129 N LYS A 424 -4.123 5.783 -2.780 1.00 0.00 N ATOM 1130 CA LYS A 424 -5.477 5.378 -2.424 1.00 0.00 C ATOM 1131 C LYS A 424 -6.124 4.588 -3.557 1.00 0.00 C ATOM 1132 O LYS A 424 -6.911 3.673 -3.318 1.00 0.00 O ATOM 1133 CB LYS A 424 -6.329 6.606 -2.093 1.00 0.00 C ATOM 1134 CG LYS A 424 -5.833 7.381 -0.884 1.00 0.00 C ATOM 1135 CD LYS A 424 -6.403 8.790 -0.854 1.00 0.00 C ATOM 1136 CE LYS A 424 -5.524 9.763 -1.626 1.00 0.00 C ATOM 1137 NZ LYS A 424 -5.944 11.175 -1.416 1.00 0.00 N ATOM 0 H LYS A 424 -3.957 6.788 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.418 4.737 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -6.347 7.270 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -7.356 6.288 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -6.114 6.854 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.744 7.428 -0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -7.406 8.787 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -6.497 9.124 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -4.487 9.642 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -5.566 9.526 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -5.515 11.777 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -6.980 11.242 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -5.630 11.495 -0.477 1.00 0.00 H new ATOM 1151 N ALA A 425 -5.787 4.948 -4.791 1.00 0.00 N ATOM 1152 CA ALA A 425 -6.334 4.271 -5.960 1.00 0.00 C ATOM 1153 C ALA A 425 -5.639 2.933 -6.194 1.00 0.00 C ATOM 1154 O ALA A 425 -6.250 1.983 -6.683 1.00 0.00 O ATOM 1155 CB ALA A 425 -6.205 5.156 -7.191 1.00 0.00 C ATOM 0 H ALA A 425 -5.138 5.705 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.390 4.076 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -6.618 4.638 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -6.752 6.085 -7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -5.153 5.380 -7.369 1.00 0.00 H new ATOM 1161 N ALA A 426 -4.359 2.867 -5.842 1.00 0.00 N ATOM 1162 CA ALA A 426 -3.582 1.645 -6.012 1.00 0.00 C ATOM 1163 C ALA A 426 -4.003 0.582 -5.002 1.00 0.00 C ATOM 1164 O ALA A 426 -3.982 -0.613 -5.299 1.00 0.00 O ATOM 1165 CB ALA A 426 -2.096 1.942 -5.880 1.00 0.00 C ATOM 0 H ALA A 426 -3.838 3.645 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 426 -3.776 1.256 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 426 -1.528 1.021 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 426 -1.799 2.661 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 426 -1.894 2.357 -4.893 1.00 0.00 H new ATOM 1171 N VAL A 427 -4.384 1.025 -3.808 1.00 0.00 N ATOM 1172 CA VAL A 427 -4.811 0.110 -2.755 1.00 0.00 C ATOM 1173 C VAL A 427 -5.946 -0.789 -3.233 1.00 0.00 C ATOM 1174 O VAL A 427 -5.807 -2.011 -3.275 1.00 0.00 O ATOM 1175 CB VAL A 427 -5.271 0.876 -1.501 1.00 0.00 C ATOM 1176 CG1 VAL A 427 -5.887 -0.079 -0.488 1.00 0.00 C ATOM 1177 CG2 VAL A 427 -4.108 1.639 -0.886 1.00 0.00 C ATOM 0 H VAL A 427 -4.406 2.010 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 427 -3.948 -0.505 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.033 1.597 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -6.206 0.480 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.748 -0.577 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -5.148 -0.825 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.452 2.174 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.322 0.939 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -3.716 2.352 -1.612 1.00 0.00 H new ATOM 1187 N GLU A 428 -7.068 -0.174 -3.594 1.00 0.00 N ATOM 1188 CA GLU A 428 -8.227 -0.921 -4.070 1.00 0.00 C ATOM 1189 C GLU A 428 -7.930 -1.593 -5.407 1.00 0.00 C ATOM 1190 O GLU A 428 -8.684 -2.451 -5.862 1.00 0.00 O ATOM 1191 CB GLU A 428 -9.436 0.007 -4.209 1.00 0.00 C ATOM 1192 CG GLU A 428 -9.897 0.609 -2.893 1.00 0.00 C ATOM 1193 CD GLU A 428 -11.368 0.977 -2.903 1.00 0.00 C ATOM 1194 OE1 GLU A 428 -11.845 1.488 -3.939 1.00 0.00 O ATOM 1195 OE2 GLU A 428 -12.042 0.754 -1.876 1.00 0.00 O ATOM 0 H GLU A 428 -7.199 0.837 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 428 -8.455 -1.696 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 428 -9.187 0.813 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 428 -10.261 -0.550 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 428 -9.710 -0.101 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 428 -9.305 1.499 -2.678 1.00 0.00 H new ATOM 1202 N TRP A 429 -6.827 -1.195 -6.031 1.00 0.00 N ATOM 1203 CA TRP A 429 -6.430 -1.757 -7.316 1.00 0.00 C ATOM 1204 C TRP A 429 -5.753 -3.111 -7.132 1.00 0.00 C ATOM 1205 O TRP A 429 -6.160 -4.107 -7.731 1.00 0.00 O ATOM 1206 CB TRP A 429 -5.490 -0.799 -8.048 1.00 0.00 C ATOM 1207 CG TRP A 429 -4.814 -1.419 -9.233 1.00 0.00 C ATOM 1208 CD1 TRP A 429 -4.001 -2.516 -9.232 1.00 0.00 C ATOM 1209 CD2 TRP A 429 -4.890 -0.975 -10.592 1.00 0.00 C ATOM 1210 NE1 TRP A 429 -3.568 -2.782 -10.508 1.00 0.00 N ATOM 1211 CE2 TRP A 429 -4.100 -1.851 -11.362 1.00 0.00 C ATOM 1212 CE3 TRP A 429 -5.551 0.075 -11.235 1.00 0.00 C ATOM 1213 CZ2 TRP A 429 -3.954 -1.707 -12.739 1.00 0.00 C ATOM 1214 CZ3 TRP A 429 -5.405 0.218 -12.602 1.00 0.00 C ATOM 1215 CH2 TRP A 429 -4.612 -0.669 -13.342 1.00 0.00 C ATOM 0 H TRP A 429 -6.192 -0.485 -5.667 1.00 0.00 H new ATOM 0 HA TRP A 429 -7.330 -1.899 -7.915 1.00 0.00 H new ATOM 0 HB2 TRP A 429 -6.055 0.073 -8.377 1.00 0.00 H new ATOM 0 HB3 TRP A 429 -4.731 -0.443 -7.351 1.00 0.00 H new ATOM 0 HD1 TRP A 429 -3.737 -3.090 -8.356 1.00 0.00 H new ATOM 0 HE1 TRP A 429 -2.951 -3.548 -10.777 1.00 0.00 H new ATOM 0 HE3 TRP A 429 -6.165 0.763 -10.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 429 -3.343 -2.390 -13.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 429 -5.911 1.027 -13.108 1.00 0.00 H new ATOM 0 HH2 TRP A 429 -4.518 -0.531 -14.409 1.00 0.00 H new ATOM 1226 N PHE A 430 -4.717 -3.142 -6.299 1.00 0.00 N ATOM 1227 CA PHE A 430 -3.983 -4.373 -6.038 1.00 0.00 C ATOM 1228 C PHE A 430 -4.608 -5.142 -4.877 1.00 0.00 C ATOM 1229 O PHE A 430 -4.359 -6.336 -4.704 1.00 0.00 O ATOM 1230 CB PHE A 430 -2.517 -4.062 -5.728 1.00 0.00 C ATOM 1231 CG PHE A 430 -1.813 -3.327 -6.833 1.00 0.00 C ATOM 1232 CD1 PHE A 430 -1.322 -4.009 -7.933 1.00 0.00 C ATOM 1233 CD2 PHE A 430 -1.644 -1.953 -6.770 1.00 0.00 C ATOM 1234 CE1 PHE A 430 -0.675 -3.335 -8.952 1.00 0.00 C ATOM 1235 CE2 PHE A 430 -0.999 -1.274 -7.785 1.00 0.00 C ATOM 1236 CZ PHE A 430 -0.512 -1.966 -8.877 1.00 0.00 C ATOM 0 H PHE A 430 -4.368 -2.328 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 430 -4.034 -4.994 -6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -2.465 -3.467 -4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -1.990 -4.995 -5.530 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -1.446 -5.080 -7.996 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -2.021 -1.407 -5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -0.298 -3.879 -9.806 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -0.875 -0.203 -7.725 1.00 0.00 H new ATOM 0 HZ PHE A 430 -0.005 -1.437 -9.670 1.00 0.00 H new ATOM 1246 N ASP A 431 -5.418 -4.449 -4.084 1.00 0.00 N ATOM 1247 CA ASP A 431 -6.079 -5.067 -2.941 1.00 0.00 C ATOM 1248 C ASP A 431 -6.834 -6.324 -3.362 1.00 0.00 C ATOM 1249 O ASP A 431 -7.961 -6.249 -3.850 1.00 0.00 O ATOM 1250 CB ASP A 431 -7.041 -4.074 -2.284 1.00 0.00 C ATOM 1251 CG ASP A 431 -8.109 -4.763 -1.459 1.00 0.00 C ATOM 1252 OD1 ASP A 431 -7.752 -5.610 -0.613 1.00 0.00 O ATOM 1253 OD2 ASP A 431 -9.303 -4.456 -1.659 1.00 0.00 O ATOM 0 H ASP A 431 -5.632 -3.460 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 431 -5.313 -5.351 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 431 -6.477 -3.393 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 431 -7.516 -3.468 -3.056 1.00 0.00 H new ATOM 1258 N GLY A 432 -6.204 -7.479 -3.169 1.00 0.00 N ATOM 1259 CA GLY A 432 -6.830 -8.735 -3.535 1.00 0.00 C ATOM 1260 C GLY A 432 -6.314 -9.278 -4.852 1.00 0.00 C ATOM 1261 O GLY A 432 -6.992 -10.059 -5.520 1.00 0.00 O ATOM 0 H GLY A 432 -5.271 -7.567 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 432 -6.652 -9.469 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 432 -7.909 -8.594 -3.601 1.00 0.00 H new ATOM 1265 N LYS A 433 -5.108 -8.866 -5.228 1.00 0.00 N ATOM 1266 CA LYS A 433 -4.499 -9.316 -6.474 1.00 0.00 C ATOM 1267 C LYS A 433 -3.967 -10.739 -6.337 1.00 0.00 C ATOM 1268 O LYS A 433 -4.009 -11.325 -5.257 1.00 0.00 O ATOM 1269 CB LYS A 433 -3.363 -8.373 -6.881 1.00 0.00 C ATOM 1270 CG LYS A 433 -3.812 -7.232 -7.777 1.00 0.00 C ATOM 1271 CD LYS A 433 -4.084 -7.709 -9.194 1.00 0.00 C ATOM 1272 CE LYS A 433 -3.928 -6.581 -10.202 1.00 0.00 C ATOM 1273 NZ LYS A 433 -3.922 -7.085 -11.602 1.00 0.00 N ATOM 0 H LYS A 433 -4.533 -8.221 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.266 -9.306 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -2.905 -7.960 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -2.592 -8.947 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -4.714 -6.778 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -3.045 -6.458 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -3.399 -8.519 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -5.094 -8.115 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -4.742 -5.867 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -3.000 -6.044 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -3.814 -6.286 -12.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -3.130 -7.747 -11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -4.818 -7.575 -11.798 1.00 0.00 H new ATOM 1287 N ASP A 434 -3.465 -11.286 -7.439 1.00 0.00 N ATOM 1288 CA ASP A 434 -2.923 -12.640 -7.441 1.00 0.00 C ATOM 1289 C ASP A 434 -1.494 -12.652 -7.975 1.00 0.00 C ATOM 1290 O ASP A 434 -1.260 -12.393 -9.156 1.00 0.00 O ATOM 1291 CB ASP A 434 -3.803 -13.564 -8.284 1.00 0.00 C ATOM 1292 CG ASP A 434 -5.059 -13.994 -7.551 1.00 0.00 C ATOM 1293 OD1 ASP A 434 -5.936 -13.134 -7.323 1.00 0.00 O ATOM 1294 OD2 ASP A 434 -5.165 -15.189 -7.205 1.00 0.00 O ATOM 0 H ASP A 434 -3.422 -10.813 -8.342 1.00 0.00 H new ATOM 0 HA ASP A 434 -2.911 -13.001 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 434 -4.081 -13.054 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 434 -3.231 -14.447 -8.567 1.00 0.00 H new ATOM 1299 N PHE A 435 -0.542 -12.953 -7.099 1.00 0.00 N ATOM 1300 CA PHE A 435 0.863 -12.996 -7.482 1.00 0.00 C ATOM 1301 C PHE A 435 1.372 -14.435 -7.524 1.00 0.00 C ATOM 1302 O PHE A 435 1.714 -15.013 -6.493 1.00 0.00 O ATOM 1303 CB PHE A 435 1.706 -12.175 -6.505 1.00 0.00 C ATOM 1304 CG PHE A 435 2.926 -11.563 -7.131 1.00 0.00 C ATOM 1305 CD1 PHE A 435 4.117 -12.269 -7.192 1.00 0.00 C ATOM 1306 CD2 PHE A 435 2.883 -10.283 -7.659 1.00 0.00 C ATOM 1307 CE1 PHE A 435 5.242 -11.709 -7.769 1.00 0.00 C ATOM 1308 CE2 PHE A 435 4.003 -9.718 -8.238 1.00 0.00 C ATOM 1309 CZ PHE A 435 5.185 -10.431 -8.291 1.00 0.00 C ATOM 0 H PHE A 435 -0.718 -13.171 -6.118 1.00 0.00 H new ATOM 0 HA PHE A 435 0.954 -12.567 -8.480 1.00 0.00 H new ATOM 0 HB2 PHE A 435 1.088 -11.383 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 435 2.014 -12.814 -5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 435 4.167 -13.268 -6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 435 1.962 -9.720 -7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 435 6.164 -12.270 -7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 435 3.954 -8.720 -8.649 1.00 0.00 H new ATOM 0 HZ PHE A 435 6.063 -9.990 -8.740 1.00 0.00 H new ATOM 1319 N GLN A 436 1.417 -15.005 -8.723 1.00 0.00 N ATOM 1320 CA GLN A 436 1.882 -16.376 -8.900 1.00 0.00 C ATOM 1321 C GLN A 436 0.998 -17.354 -8.133 1.00 0.00 C ATOM 1322 O GLN A 436 1.477 -18.354 -7.603 1.00 0.00 O ATOM 1323 CB GLN A 436 3.332 -16.509 -8.435 1.00 0.00 C ATOM 1324 CG GLN A 436 4.302 -15.624 -9.203 1.00 0.00 C ATOM 1325 CD GLN A 436 5.694 -15.623 -8.601 1.00 0.00 C ATOM 1326 OE1 GLN A 436 6.165 -16.643 -8.097 1.00 0.00 O ATOM 1327 NE2 GLN A 436 6.360 -14.475 -8.653 1.00 0.00 N ATOM 0 H GLN A 436 1.137 -14.539 -9.586 1.00 0.00 H new ATOM 0 HA GLN A 436 1.825 -16.618 -9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 436 3.389 -16.261 -7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 436 3.643 -17.549 -8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 436 4.358 -15.965 -10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 436 3.919 -14.604 -9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 436 5.930 -13.655 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 436 7.302 -14.414 -8.266 1.00 0.00 H new ATOM 1336 N GLY A 437 -0.296 -17.054 -8.077 1.00 0.00 N ATOM 1337 CA GLY A 437 -1.227 -17.917 -7.372 1.00 0.00 C ATOM 1338 C GLY A 437 -1.497 -17.444 -5.957 1.00 0.00 C ATOM 1339 O GLY A 437 -2.515 -17.796 -5.361 1.00 0.00 O ATOM 0 H GLY A 437 -0.716 -16.230 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -2.166 -17.960 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -0.828 -18.931 -7.343 1.00 0.00 H new ATOM 1343 N SER A 438 -0.581 -16.647 -5.416 1.00 0.00 N ATOM 1344 CA SER A 438 -0.722 -16.131 -4.060 1.00 0.00 C ATOM 1345 C SER A 438 -1.622 -14.899 -4.039 1.00 0.00 C ATOM 1346 O SER A 438 -1.723 -14.171 -5.027 1.00 0.00 O ATOM 1347 CB SER A 438 0.649 -15.783 -3.478 1.00 0.00 C ATOM 1348 OG SER A 438 1.119 -14.544 -3.981 1.00 0.00 O ATOM 0 H SER A 438 0.267 -16.345 -5.896 1.00 0.00 H new ATOM 0 HA SER A 438 -1.182 -16.908 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 438 0.584 -15.736 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 438 1.361 -16.571 -3.722 1.00 0.00 H new ATOM 0 HG SER A 438 1.151 -14.579 -4.960 1.00 0.00 H new ATOM 1354 N LYS A 439 -2.275 -14.670 -2.904 1.00 0.00 N ATOM 1355 CA LYS A 439 -3.167 -13.527 -2.751 1.00 0.00 C ATOM 1356 C LYS A 439 -2.472 -12.391 -2.006 1.00 0.00 C ATOM 1357 O LYS A 439 -1.874 -12.602 -0.951 1.00 0.00 O ATOM 1358 CB LYS A 439 -4.436 -13.940 -2.002 1.00 0.00 C ATOM 1359 CG LYS A 439 -5.629 -13.046 -2.289 1.00 0.00 C ATOM 1360 CD LYS A 439 -6.850 -13.471 -1.490 1.00 0.00 C ATOM 1361 CE LYS A 439 -6.851 -12.851 -0.101 1.00 0.00 C ATOM 1362 NZ LYS A 439 -8.095 -13.174 0.650 1.00 0.00 N ATOM 0 H LYS A 439 -2.203 -15.262 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 439 -3.438 -13.174 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -4.688 -14.966 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 439 -4.235 -13.931 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -5.377 -12.013 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -5.861 -13.078 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -7.755 -13.176 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -6.870 -14.557 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -5.986 -13.210 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -6.749 -11.769 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -8.057 -12.733 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -8.919 -12.810 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -8.180 -14.205 0.754 1.00 0.00 H new ATOM 1376 N LEU A 440 -2.555 -11.188 -2.562 1.00 0.00 N ATOM 1377 CA LEU A 440 -1.936 -10.018 -1.949 1.00 0.00 C ATOM 1378 C LEU A 440 -2.987 -9.116 -1.312 1.00 0.00 C ATOM 1379 O LEU A 440 -4.097 -8.976 -1.826 1.00 0.00 O ATOM 1380 CB LEU A 440 -1.139 -9.232 -2.992 1.00 0.00 C ATOM 1381 CG LEU A 440 -0.495 -10.059 -4.107 1.00 0.00 C ATOM 1382 CD1 LEU A 440 0.458 -9.201 -4.924 1.00 0.00 C ATOM 1383 CD2 LEU A 440 0.231 -11.262 -3.527 1.00 0.00 C ATOM 0 H LEU A 440 -3.045 -10.997 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 440 -1.259 -10.364 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 440 -1.802 -8.497 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 440 -0.354 -8.678 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 440 -1.283 -10.420 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 440 0.907 -9.805 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 440 -0.091 -8.372 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 440 1.242 -8.810 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 440 0.683 -11.838 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 440 1.010 -10.923 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 440 -0.478 -11.889 -2.986 1.00 0.00 H new ATOM 1395 N LYS A 441 -2.631 -8.503 -0.188 1.00 0.00 N ATOM 1396 CA LYS A 441 -3.541 -7.610 0.520 1.00 0.00 C ATOM 1397 C LYS A 441 -2.934 -6.219 0.667 1.00 0.00 C ATOM 1398 O LYS A 441 -2.007 -6.014 1.452 1.00 0.00 O ATOM 1399 CB LYS A 441 -3.877 -8.181 1.900 1.00 0.00 C ATOM 1400 CG LYS A 441 -4.720 -9.444 1.847 1.00 0.00 C ATOM 1401 CD LYS A 441 -4.780 -10.130 3.201 1.00 0.00 C ATOM 1402 CE LYS A 441 -6.007 -11.020 3.320 1.00 0.00 C ATOM 1403 NZ LYS A 441 -5.778 -12.161 4.248 1.00 0.00 N ATOM 0 H LYS A 441 -1.717 -8.609 0.253 1.00 0.00 H new ATOM 0 HA LYS A 441 -4.457 -7.527 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 441 -2.949 -8.395 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 441 -4.407 -7.424 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 441 -5.729 -9.196 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 441 -4.304 -10.130 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 441 -3.880 -10.727 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 441 -4.796 -9.379 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 441 -6.851 -10.428 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 441 -6.275 -11.402 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 441 -6.638 -12.743 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 441 -4.989 -12.740 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 441 -5.547 -11.798 5.195 1.00 0.00 H new ATOM 1417 N VAL A 442 -3.464 -5.263 -0.090 1.00 0.00 N ATOM 1418 CA VAL A 442 -2.976 -3.890 -0.042 1.00 0.00 C ATOM 1419 C VAL A 442 -3.883 -3.014 0.815 1.00 0.00 C ATOM 1420 O VAL A 442 -5.108 -3.080 0.708 1.00 0.00 O ATOM 1421 CB VAL A 442 -2.874 -3.280 -1.452 1.00 0.00 C ATOM 1422 CG1 VAL A 442 -2.066 -1.992 -1.420 1.00 0.00 C ATOM 1423 CG2 VAL A 442 -2.261 -4.279 -2.421 1.00 0.00 C ATOM 0 H VAL A 442 -4.232 -5.415 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 442 -1.982 -3.923 0.403 1.00 0.00 H new ATOM 0 HB VAL A 442 -3.879 -3.041 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -2.005 -1.576 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -2.552 -1.274 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -1.061 -2.202 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -2.196 -3.831 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -1.262 -4.551 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -2.885 -5.172 -2.466 1.00 0.00 H new ATOM 1433 N SER A 443 -3.274 -2.193 1.664 1.00 0.00 N ATOM 1434 CA SER A 443 -4.028 -1.306 2.542 1.00 0.00 C ATOM 1435 C SER A 443 -3.182 -0.105 2.956 1.00 0.00 C ATOM 1436 O SER A 443 -2.040 -0.255 3.391 1.00 0.00 O ATOM 1437 CB SER A 443 -4.499 -2.063 3.785 1.00 0.00 C ATOM 1438 OG SER A 443 -3.485 -2.104 4.774 1.00 0.00 O ATOM 0 H SER A 443 -2.261 -2.123 1.763 1.00 0.00 H new ATOM 0 HA SER A 443 -4.898 -0.946 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 443 -5.388 -1.582 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.784 -3.079 3.510 1.00 0.00 H new ATOM 0 HG SER A 443 -3.813 -2.592 5.558 1.00 0.00 H new ATOM 1444 N LEU A 444 -3.751 1.087 2.816 1.00 0.00 N ATOM 1445 CA LEU A 444 -3.051 2.316 3.174 1.00 0.00 C ATOM 1446 C LEU A 444 -2.330 2.162 4.510 1.00 0.00 C ATOM 1447 O LEU A 444 -2.963 2.058 5.560 1.00 0.00 O ATOM 1448 CB LEU A 444 -4.036 3.485 3.245 1.00 0.00 C ATOM 1449 CG LEU A 444 -4.394 4.143 1.912 1.00 0.00 C ATOM 1450 CD1 LEU A 444 -5.403 5.261 2.123 1.00 0.00 C ATOM 1451 CD2 LEU A 444 -3.143 4.674 1.226 1.00 0.00 C ATOM 0 H LEU A 444 -4.695 1.229 2.457 1.00 0.00 H new ATOM 0 HA LEU A 444 -2.309 2.521 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -4.956 3.131 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -3.618 4.247 3.903 1.00 0.00 H new ATOM 0 HG LEU A 444 -4.846 3.390 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -5.646 5.718 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.309 4.853 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -4.978 6.014 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -3.417 5.139 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -2.662 5.413 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -2.453 3.851 1.040 1.00 0.00 H new