USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 470 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 421 CYS SG : rot 170:sc= -17.3! USER MOD Set 1.2: A 427 CYS SG : rot 126:sc= -8.07! USER MOD Set 1.3: A 434 HIS : no HD1:sc= -7.03! C(o=-39!,f=-68!) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -6.54! C(o=-39!,f=-70!) USER MOD Set 2.1: A 379 CYS SG : rot -167:sc= -8.59! USER MOD Set 2.2: A 385 CYS SG : rot -129:sc= -8.83! USER MOD Set 2.3: A 392 HIS : no HD1:sc= -9.82! C(o=-36!,f=-70!) USER MOD Set 2.4: A 398 HIS : no HD1:sc= -8.64! C(o=-36!,f=-65!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 38:sc= 0.0986 USER MOD Single : A 380 MET CE :methyl 167:sc= 0 (180deg=-0.172) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 386 TYR OH : rot 15:sc= 0.0228 USER MOD Single : A 388 LYS NZ :NH3+ -174:sc=-0.00268 (180deg=-0.0516) USER MOD Single : A 389 ASN : amide:sc= -2.68 K(o=-2.7,f=-12!) USER MOD Single : A 394 GLN : amide:sc= -0.504 K(o=-0.5,f=-4.2) USER MOD Single : A 395 HIS : no HE2:sc= -4.88! C(o=-4.9!,f=-12!) USER MOD Single : A 397 SER OG : rot -92:sc= -2.07! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 TYR OH : rot 180:sc= 0.273 USER MOD Single : A 426 SER OG : rot -36:sc= 0.573 USER MOD Single : A 428 TYR OH : rot -75:sc= 0.096 USER MOD Single : A 430 LYS NZ :NH3+ 165:sc= -0.0373 (180deg=-0.26) USER MOD Single : A 431 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.2!) USER MOD Single : A 433 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.063) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.471 K(o=-0.47,f=-1.1) USER MOD Single : A 442 THR OG1 : rot 180:sc=0.000805 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -5.841 12.545 -6.290 1.00 0.00 N ATOM 257 CA ARG A 376 -5.051 11.949 -7.353 1.00 0.00 C ATOM 258 C ARG A 376 -3.977 11.050 -6.740 1.00 0.00 C ATOM 259 O ARG A 376 -3.841 10.966 -5.520 1.00 0.00 O ATOM 260 CB ARG A 376 -4.384 13.006 -8.244 1.00 0.00 C ATOM 261 CG ARG A 376 -5.286 13.557 -9.338 1.00 0.00 C ATOM 262 CD ARG A 376 -6.315 14.536 -8.806 1.00 0.00 C ATOM 263 NE ARG A 376 -5.702 15.651 -8.070 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.221 16.205 -6.972 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.387 15.788 -6.499 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.572 17.181 -6.340 1.00 0.00 N ATOM 0 HA ARG A 376 -5.726 11.368 -7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.045 13.831 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.497 12.570 -8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.675 14.052 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.797 12.731 -9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.900 14.931 -9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -7.008 14.009 -8.150 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.821 16.026 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.892 15.040 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.779 16.215 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.674 17.509 -6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -5.973 17.601 -5.501 1.00 0.00 H new ATOM 280 N THR A 377 -3.218 10.385 -7.594 1.00 0.00 N ATOM 281 CA THR A 377 -2.153 9.520 -7.149 1.00 0.00 C ATOM 282 C THR A 377 -0.796 10.186 -7.414 1.00 0.00 C ATOM 283 O THR A 377 -0.677 11.025 -8.312 1.00 0.00 O ATOM 284 CB THR A 377 -2.226 8.135 -7.842 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.224 7.247 -7.323 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.077 8.256 -9.342 1.00 0.00 C ATOM 0 H THR A 377 -3.326 10.432 -8.607 1.00 0.00 H new ATOM 0 HA THR A 377 -2.267 9.358 -6.077 1.00 0.00 H new ATOM 0 HB THR A 377 -3.211 7.720 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 377 -1.291 6.379 -7.774 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.133 7.266 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 377 -2.877 8.882 -9.738 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.113 8.708 -9.577 1.00 0.00 H new ATOM 294 N SER A 378 0.216 9.830 -6.630 1.00 0.00 N ATOM 295 CA SER A 378 1.540 10.436 -6.734 1.00 0.00 C ATOM 296 C SER A 378 2.089 10.357 -8.159 1.00 0.00 C ATOM 297 O SER A 378 2.205 9.277 -8.724 1.00 0.00 O ATOM 298 CB SER A 378 2.507 9.740 -5.754 1.00 0.00 C ATOM 299 OG SER A 378 3.766 10.402 -5.708 1.00 0.00 O ATOM 0 H SER A 378 0.143 9.115 -5.906 1.00 0.00 H new ATOM 0 HA SER A 378 1.449 11.491 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.067 9.723 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 378 2.651 8.703 -6.057 1.00 0.00 H new ATOM 0 HG SER A 378 3.628 11.371 -5.757 1.00 0.00 H new ATOM 305 N CYS A 379 2.367 11.518 -8.771 1.00 0.00 N ATOM 306 CA CYS A 379 3.027 11.565 -10.071 1.00 0.00 C ATOM 307 C CYS A 379 4.312 10.761 -9.992 1.00 0.00 C ATOM 308 O CYS A 379 5.238 11.153 -9.291 1.00 0.00 O ATOM 309 CB CYS A 379 3.334 13.034 -10.474 1.00 0.00 C ATOM 310 SG CYS A 379 3.883 13.286 -12.212 1.00 0.00 S ATOM 0 H CYS A 379 2.142 12.433 -8.381 1.00 0.00 H new ATOM 0 HA CYS A 379 2.370 11.140 -10.830 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.439 13.633 -10.305 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.106 13.420 -9.809 1.00 0.00 H new ATOM 0 HG CYS A 379 4.358 14.489 -12.347 1.00 0.00 H new ATOM 315 N MET A 380 4.359 9.628 -10.676 1.00 0.00 N ATOM 316 CA MET A 380 5.497 8.729 -10.611 1.00 0.00 C ATOM 317 C MET A 380 6.799 9.420 -11.042 1.00 0.00 C ATOM 318 O MET A 380 7.898 8.893 -10.847 1.00 0.00 O ATOM 319 CB MET A 380 5.245 7.488 -11.497 1.00 0.00 C ATOM 320 CG MET A 380 5.306 7.778 -12.986 1.00 0.00 C ATOM 321 SD MET A 380 4.956 6.342 -14.016 1.00 0.00 S ATOM 322 CE MET A 380 3.202 6.150 -13.750 1.00 0.00 C ATOM 0 H MET A 380 3.610 9.308 -11.290 1.00 0.00 H new ATOM 0 HA MET A 380 5.612 8.421 -9.572 1.00 0.00 H new ATOM 0 HB2 MET A 380 5.983 6.723 -11.254 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.266 7.074 -11.256 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.593 8.567 -13.223 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.297 8.159 -13.233 1.00 0.00 H new ATOM 0 HE1 MET A 380 2.796 5.458 -14.488 1.00 0.00 H new ATOM 0 HE2 MET A 380 3.027 5.757 -12.749 1.00 0.00 H new ATOM 0 HE3 MET A 380 2.711 7.118 -13.851 1.00 0.00 H new ATOM 332 N TYR A 381 6.672 10.602 -11.642 1.00 0.00 N ATOM 333 CA TYR A 381 7.852 11.397 -12.024 1.00 0.00 C ATOM 334 C TYR A 381 7.939 12.641 -11.123 1.00 0.00 C ATOM 335 O TYR A 381 8.977 13.308 -11.082 1.00 0.00 O ATOM 336 CB TYR A 381 7.762 11.868 -13.478 1.00 0.00 C ATOM 337 CG TYR A 381 7.309 10.814 -14.471 1.00 0.00 C ATOM 338 CD1 TYR A 381 8.218 9.949 -15.076 1.00 0.00 C ATOM 339 CD2 TYR A 381 5.961 10.717 -14.818 1.00 0.00 C ATOM 340 CE1 TYR A 381 7.791 9.003 -16.006 1.00 0.00 C ATOM 341 CE2 TYR A 381 5.537 9.781 -15.737 1.00 0.00 C ATOM 342 CZ TYR A 381 6.441 8.931 -16.327 1.00 0.00 C ATOM 343 OH TYR A 381 5.992 8.016 -17.250 1.00 0.00 O ATOM 0 H TYR A 381 5.777 11.032 -11.875 1.00 0.00 H new ATOM 0 HA TYR A 381 8.733 10.765 -11.909 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.073 12.711 -13.528 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.741 12.237 -13.785 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.266 10.012 -14.821 1.00 0.00 H new ATOM 0 HD2 TYR A 381 5.242 11.382 -14.362 1.00 0.00 H new ATOM 0 HE1 TYR A 381 8.500 8.334 -16.471 1.00 0.00 H new ATOM 0 HE2 TYR A 381 4.490 9.716 -15.994 1.00 0.00 H new ATOM 0 HH TYR A 381 5.021 8.103 -17.352 1.00 0.00 H new ATOM 353 N GLY A 382 6.834 12.954 -10.437 1.00 0.00 N ATOM 354 CA GLY A 382 6.770 14.177 -9.662 1.00 0.00 C ATOM 355 C GLY A 382 6.655 15.377 -10.579 1.00 0.00 C ATOM 356 O GLY A 382 5.868 15.347 -11.528 1.00 0.00 O ATOM 0 H GLY A 382 5.990 12.382 -10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.914 14.143 -8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.662 14.269 -9.042 1.00 0.00 H new ATOM 360 N ALA A 383 7.451 16.413 -10.326 1.00 0.00 N ATOM 361 CA ALA A 383 7.459 17.610 -11.174 1.00 0.00 C ATOM 362 C ALA A 383 8.444 17.461 -12.333 1.00 0.00 C ATOM 363 O ALA A 383 8.564 18.324 -13.185 1.00 0.00 O ATOM 364 CB ALA A 383 7.821 18.834 -10.330 1.00 0.00 C ATOM 0 H ALA A 383 8.101 16.451 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 383 6.463 17.739 -11.596 1.00 0.00 H new ATOM 0 HB1 ALA A 383 7.827 19.723 -10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.086 18.958 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 383 8.809 18.694 -9.892 1.00 0.00 H new ATOM 370 N ASN A 384 9.115 16.307 -12.358 1.00 0.00 N ATOM 371 CA ASN A 384 10.125 16.031 -13.383 1.00 0.00 C ATOM 372 C ASN A 384 9.464 15.696 -14.707 1.00 0.00 C ATOM 373 O ASN A 384 10.075 15.872 -15.764 1.00 0.00 O ATOM 374 CB ASN A 384 11.010 14.876 -12.927 1.00 0.00 C ATOM 375 CG ASN A 384 11.786 15.213 -11.661 1.00 0.00 C ATOM 376 OD1 ASN A 384 12.919 15.699 -11.725 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.181 14.937 -10.514 1.00 0.00 N ATOM 0 H ASN A 384 8.979 15.553 -11.685 1.00 0.00 H new ATOM 0 HA ASN A 384 10.738 16.921 -13.525 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.393 13.995 -12.749 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.709 14.620 -13.723 1.00 0.00 H new ATOM 0 HD21 ASN A 384 11.653 15.126 -9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.243 14.536 -10.516 1.00 0.00 H new ATOM 384 N CYS A 385 8.223 15.204 -14.675 1.00 0.00 N ATOM 385 CA CYS A 385 7.506 14.836 -15.881 1.00 0.00 C ATOM 386 C CYS A 385 7.308 16.048 -16.799 1.00 0.00 C ATOM 387 O CYS A 385 6.825 17.111 -16.353 1.00 0.00 O ATOM 388 CB CYS A 385 6.165 14.186 -15.530 1.00 0.00 C ATOM 389 SG CYS A 385 5.398 14.808 -14.009 1.00 0.00 S ATOM 0 H CYS A 385 7.697 15.053 -13.814 1.00 0.00 H new ATOM 0 HA CYS A 385 8.107 14.107 -16.425 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.474 14.340 -16.359 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.312 13.110 -15.433 1.00 0.00 H new ATOM 0 HG CYS A 385 5.067 13.807 -13.249 1.00 0.00 H new ATOM 394 N TYR A 386 7.660 15.892 -18.069 1.00 0.00 N ATOM 395 CA TYR A 386 7.531 16.951 -19.067 1.00 0.00 C ATOM 396 C TYR A 386 6.060 17.180 -19.403 1.00 0.00 C ATOM 397 O TYR A 386 5.718 18.126 -20.115 1.00 0.00 O ATOM 398 CB TYR A 386 8.328 16.577 -20.344 1.00 0.00 C ATOM 399 CG TYR A 386 7.861 15.283 -21.004 1.00 0.00 C ATOM 400 CD1 TYR A 386 8.308 14.047 -20.557 1.00 0.00 C ATOM 401 CD2 TYR A 386 6.957 15.306 -22.066 1.00 0.00 C ATOM 402 CE1 TYR A 386 7.875 12.868 -21.148 1.00 0.00 C ATOM 403 CE2 TYR A 386 6.521 14.146 -22.645 1.00 0.00 C ATOM 404 CZ TYR A 386 6.983 12.932 -22.189 1.00 0.00 C ATOM 405 OH TYR A 386 6.550 11.771 -22.776 1.00 0.00 O ATOM 0 H TYR A 386 8.045 15.023 -18.439 1.00 0.00 H new ATOM 0 HA TYR A 386 7.941 17.875 -18.659 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.246 17.391 -21.064 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.383 16.483 -20.088 1.00 0.00 H new ATOM 0 HD1 TYR A 386 9.006 14.002 -19.734 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.596 16.254 -22.437 1.00 0.00 H new ATOM 0 HE1 TYR A 386 8.235 11.914 -20.794 1.00 0.00 H new ATOM 0 HE2 TYR A 386 5.814 14.183 -23.460 1.00 0.00 H new ATOM 0 HH TYR A 386 6.773 11.010 -22.200 1.00 0.00 H new ATOM 415 N ARG A 387 5.206 16.307 -18.900 1.00 0.00 N ATOM 416 CA ARG A 387 3.766 16.425 -19.106 1.00 0.00 C ATOM 417 C ARG A 387 3.227 17.617 -18.324 1.00 0.00 C ATOM 418 O ARG A 387 3.248 17.627 -17.091 1.00 0.00 O ATOM 419 CB ARG A 387 3.068 15.134 -18.645 1.00 0.00 C ATOM 420 CG ARG A 387 3.620 13.854 -19.276 1.00 0.00 C ATOM 421 CD ARG A 387 3.353 13.785 -20.779 1.00 0.00 C ATOM 422 NE ARG A 387 3.904 12.560 -21.352 1.00 0.00 N ATOM 423 CZ ARG A 387 3.289 11.819 -22.287 1.00 0.00 C ATOM 424 NH1 ARG A 387 2.096 12.161 -22.734 1.00 0.00 N ATOM 425 NH2 ARG A 387 3.865 10.720 -22.728 1.00 0.00 N ATOM 0 H ARG A 387 5.484 15.501 -18.341 1.00 0.00 H new ATOM 0 HA ARG A 387 3.567 16.578 -20.167 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.155 15.056 -17.561 1.00 0.00 H new ATOM 0 HB3 ARG A 387 2.005 15.208 -18.875 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.694 13.798 -19.097 1.00 0.00 H new ATOM 0 HG3 ARG A 387 3.170 12.989 -18.789 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.280 13.826 -20.964 1.00 0.00 H new ATOM 0 HD3 ARG A 387 3.795 14.652 -21.271 1.00 0.00 H new ATOM 0 HE ARG A 387 4.816 12.247 -21.020 1.00 0.00 H new ATOM 0 HH11 ARG A 387 1.634 12.994 -22.369 1.00 0.00 H new ATOM 0 HH12 ARG A 387 1.635 11.593 -23.445 1.00 0.00 H new ATOM 0 HH21 ARG A 387 4.773 10.437 -22.359 1.00 0.00 H new ATOM 0 HH22 ARG A 387 3.403 10.152 -23.438 1.00 0.00 H new ATOM 439 N LYS A 388 2.762 18.643 -19.046 1.00 0.00 N ATOM 440 CA LYS A 388 2.217 19.848 -18.429 1.00 0.00 C ATOM 441 C LYS A 388 0.732 19.931 -18.731 1.00 0.00 C ATOM 442 O LYS A 388 0.039 20.861 -18.288 1.00 0.00 O ATOM 443 CB LYS A 388 2.942 21.125 -18.909 1.00 0.00 C ATOM 444 CG LYS A 388 2.844 21.419 -20.407 1.00 0.00 C ATOM 445 CD LYS A 388 3.860 20.628 -21.236 1.00 0.00 C ATOM 446 CE LYS A 388 5.299 20.930 -20.819 1.00 0.00 C ATOM 447 NZ LYS A 388 5.660 22.368 -21.002 1.00 0.00 N ATOM 0 H LYS A 388 2.755 18.658 -20.066 1.00 0.00 H new ATOM 0 HA LYS A 388 2.374 19.784 -17.352 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.538 21.977 -18.363 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.996 21.045 -18.641 1.00 0.00 H new ATOM 0 HG2 LYS A 388 1.838 21.184 -20.753 1.00 0.00 H new ATOM 0 HG3 LYS A 388 2.997 22.485 -20.574 1.00 0.00 H new ATOM 0 HD2 LYS A 388 3.667 19.561 -21.124 1.00 0.00 H new ATOM 0 HD3 LYS A 388 3.731 20.867 -22.292 1.00 0.00 H new ATOM 0 HE2 LYS A 388 5.436 20.655 -19.773 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.980 20.311 -21.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 6.672 22.500 -20.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.460 22.654 -21.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 5.099 22.952 -20.350 1.00 0.00 H new ATOM 461 N ASN A 389 0.251 18.962 -19.492 1.00 0.00 N ATOM 462 CA ASN A 389 -1.181 18.835 -19.796 1.00 0.00 C ATOM 463 C ASN A 389 -1.980 18.627 -18.511 1.00 0.00 C ATOM 464 O ASN A 389 -1.576 17.858 -17.639 1.00 0.00 O ATOM 465 CB ASN A 389 -1.403 17.644 -20.742 1.00 0.00 C ATOM 466 CG ASN A 389 -0.856 16.340 -20.207 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.174 16.317 -19.542 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.547 15.250 -20.481 1.00 0.00 N ATOM 0 H ASN A 389 0.832 18.240 -19.919 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.522 19.752 -20.277 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.471 17.532 -20.928 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.933 17.860 -21.702 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.229 14.344 -20.136 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.399 15.313 -21.038 1.00 0.00 H new ATOM 475 N PRO A 390 -3.126 19.305 -18.376 1.00 0.00 N ATOM 476 CA PRO A 390 -3.957 19.218 -17.177 1.00 0.00 C ATOM 477 C PRO A 390 -4.402 17.784 -16.900 1.00 0.00 C ATOM 478 O PRO A 390 -4.757 17.425 -15.770 1.00 0.00 O ATOM 479 CB PRO A 390 -5.150 20.134 -17.482 1.00 0.00 C ATOM 480 CG PRO A 390 -5.188 20.286 -18.970 1.00 0.00 C ATOM 481 CD PRO A 390 -3.742 20.172 -19.406 1.00 0.00 C ATOM 0 HA PRO A 390 -3.420 19.521 -16.278 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.079 19.701 -17.111 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.033 21.102 -16.994 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -5.803 19.513 -19.431 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.614 21.247 -19.259 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.658 19.733 -20.400 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.259 21.148 -19.447 1.00 0.00 H new ATOM 489 N VAL A 391 -4.360 16.960 -17.956 1.00 0.00 N ATOM 490 CA VAL A 391 -4.714 15.552 -17.844 1.00 0.00 C ATOM 491 C VAL A 391 -3.698 14.818 -16.955 1.00 0.00 C ATOM 492 O VAL A 391 -4.069 14.038 -16.094 1.00 0.00 O ATOM 493 CB VAL A 391 -4.802 14.909 -19.222 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.139 13.403 -19.104 1.00 0.00 C ATOM 495 CG2 VAL A 391 -5.852 15.632 -20.074 1.00 0.00 C ATOM 0 H VAL A 391 -4.084 17.251 -18.894 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.696 15.474 -17.377 1.00 0.00 H new ATOM 0 HB VAL A 391 -3.832 15.000 -19.710 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.197 12.964 -20.100 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.361 12.900 -18.530 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.097 13.283 -18.598 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -5.907 15.165 -21.057 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -6.824 15.567 -19.586 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -5.572 16.679 -20.185 1.00 0.00 H new ATOM 505 N HIS A 392 -2.416 15.129 -17.149 1.00 0.00 N ATOM 506 CA HIS A 392 -1.373 14.526 -16.327 1.00 0.00 C ATOM 507 C HIS A 392 -1.617 14.815 -14.853 1.00 0.00 C ATOM 508 O HIS A 392 -1.350 13.992 -13.981 1.00 0.00 O ATOM 509 CB HIS A 392 0.001 15.034 -16.757 1.00 0.00 C ATOM 510 CG HIS A 392 1.149 14.479 -15.946 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.513 13.148 -15.933 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.994 15.104 -15.100 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.560 13.018 -15.108 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.896 14.189 -14.571 1.00 0.00 N ATOM 0 H HIS A 392 -2.081 15.784 -17.856 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.401 13.446 -16.469 1.00 0.00 H new ATOM 0 HB2 HIS A 392 0.157 14.782 -17.806 1.00 0.00 H new ATOM 0 HB3 HIS A 392 0.013 16.122 -16.685 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.972 16.159 -14.868 1.00 0.00 H new ATOM 0 HE1 HIS A 392 3.065 12.085 -14.905 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.653 14.375 -13.913 1.00 0.00 H new ATOM 522 N PHE A 393 -2.181 16.008 -14.599 1.00 0.00 N ATOM 523 CA PHE A 393 -2.437 16.479 -13.229 1.00 0.00 C ATOM 524 C PHE A 393 -3.816 16.027 -12.746 1.00 0.00 C ATOM 525 O PHE A 393 -4.075 16.001 -11.540 1.00 0.00 O ATOM 526 CB PHE A 393 -2.331 18.008 -13.171 1.00 0.00 C ATOM 527 CG PHE A 393 -0.963 18.524 -13.533 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.510 18.523 -14.845 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.116 19.009 -12.538 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.765 18.985 -15.166 1.00 0.00 C ATOM 531 CE2 PHE A 393 1.139 19.482 -12.850 1.00 0.00 C ATOM 532 CZ PHE A 393 1.579 19.464 -14.171 1.00 0.00 C ATOM 0 H PHE A 393 -2.468 16.664 -15.326 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.686 16.044 -12.570 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.067 18.442 -13.848 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.585 18.345 -12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.156 18.158 -15.630 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.448 19.014 -11.510 1.00 0.00 H new ATOM 0 HE1 PHE A 393 1.109 18.966 -16.189 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.781 19.866 -12.071 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.566 19.829 -14.414 1.00 0.00 H new ATOM 542 N GLN A 394 -4.689 15.661 -13.688 1.00 0.00 N ATOM 543 CA GLN A 394 -6.042 15.244 -13.336 1.00 0.00 C ATOM 544 C GLN A 394 -6.035 13.824 -12.743 1.00 0.00 C ATOM 545 O GLN A 394 -6.918 13.472 -11.960 1.00 0.00 O ATOM 546 CB GLN A 394 -6.987 15.353 -14.564 1.00 0.00 C ATOM 547 CG GLN A 394 -6.978 14.151 -15.524 1.00 0.00 C ATOM 548 CD GLN A 394 -8.003 13.084 -15.173 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.725 12.129 -14.438 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.211 13.234 -15.687 1.00 0.00 N ATOM 0 H GLN A 394 -4.484 15.646 -14.687 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.426 15.916 -12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.005 15.498 -14.203 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -6.718 16.246 -15.128 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.167 14.505 -16.538 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -5.984 13.703 -15.523 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.413 14.031 -16.290 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.941 12.553 -15.480 1.00 0.00 H new ATOM 559 N HIS A 395 -5.043 13.033 -13.132 1.00 0.00 N ATOM 560 CA HIS A 395 -4.895 11.678 -12.585 1.00 0.00 C ATOM 561 C HIS A 395 -3.619 11.525 -11.749 1.00 0.00 C ATOM 562 O HIS A 395 -3.436 10.503 -11.087 1.00 0.00 O ATOM 563 CB HIS A 395 -4.967 10.573 -13.666 1.00 0.00 C ATOM 564 CG HIS A 395 -4.390 10.935 -15.008 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.062 11.143 -15.227 1.00 0.00 N ATOM 566 CD2 HIS A 395 -4.990 11.059 -16.212 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.849 11.370 -16.502 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.999 11.330 -17.130 1.00 0.00 N ATOM 0 H HIS A 395 -4.333 13.296 -13.816 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.753 11.542 -11.927 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.446 9.691 -13.293 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.011 10.292 -13.804 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -2.340 11.125 -14.507 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -6.046 10.964 -16.416 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.888 11.558 -16.957 1.00 0.00 H new ATOM 577 N PHE A 396 -2.760 12.539 -11.746 1.00 0.00 N ATOM 578 CA PHE A 396 -1.565 12.525 -10.870 1.00 0.00 C ATOM 579 C PHE A 396 -1.362 13.869 -10.171 1.00 0.00 C ATOM 580 O PHE A 396 -1.404 14.931 -10.801 1.00 0.00 O ATOM 581 CB PHE A 396 -0.275 12.193 -11.662 1.00 0.00 C ATOM 582 CG PHE A 396 -0.228 10.784 -12.196 1.00 0.00 C ATOM 583 CD1 PHE A 396 0.269 9.746 -11.421 1.00 0.00 C ATOM 584 CD2 PHE A 396 -0.692 10.492 -13.458 1.00 0.00 C ATOM 585 CE1 PHE A 396 0.298 8.455 -11.906 1.00 0.00 C ATOM 586 CE2 PHE A 396 -0.667 9.203 -13.955 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.167 8.179 -13.172 1.00 0.00 C ATOM 0 H PHE A 396 -2.854 13.373 -12.325 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.748 11.748 -10.127 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.183 12.890 -12.495 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.588 12.354 -11.015 1.00 0.00 H new ATOM 0 HD1 PHE A 396 0.637 9.951 -10.427 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -1.084 11.288 -14.074 1.00 0.00 H new ATOM 0 HE1 PHE A 396 0.687 7.658 -11.290 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -1.036 8.997 -14.949 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.141 7.168 -13.551 1.00 0.00 H new ATOM 597 N SER A 397 -1.135 13.805 -8.866 1.00 0.00 N ATOM 598 CA SER A 397 -0.803 14.984 -8.070 1.00 0.00 C ATOM 599 C SER A 397 0.700 15.242 -8.139 1.00 0.00 C ATOM 600 O SER A 397 1.489 14.313 -8.361 1.00 0.00 O ATOM 601 CB SER A 397 -1.227 14.773 -6.615 1.00 0.00 C ATOM 602 OG SER A 397 -2.634 14.706 -6.496 1.00 0.00 O ATOM 0 H SER A 397 -1.175 12.939 -8.329 1.00 0.00 H new ATOM 0 HA SER A 397 -1.336 15.846 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.783 13.853 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 397 -0.846 15.589 -6.001 1.00 0.00 H new ATOM 0 HG SER A 397 -2.990 15.601 -6.317 1.00 0.00 H new ATOM 608 N HIS A 398 1.088 16.503 -7.944 1.00 0.00 N ATOM 609 CA HIS A 398 2.486 16.923 -8.081 1.00 0.00 C ATOM 610 C HIS A 398 2.941 17.681 -6.836 1.00 0.00 C ATOM 611 O HIS A 398 2.116 18.199 -6.091 1.00 0.00 O ATOM 612 CB HIS A 398 2.652 17.777 -9.346 1.00 0.00 C ATOM 613 CG HIS A 398 2.515 16.971 -10.590 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.364 16.312 -10.939 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.444 16.643 -11.518 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.620 15.600 -12.037 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.871 15.763 -12.437 1.00 0.00 N ATOM 0 H HIS A 398 0.450 17.257 -7.689 1.00 0.00 H new ATOM 0 HA HIS A 398 3.117 16.040 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 398 1.906 18.572 -9.346 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.630 18.258 -9.332 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.462 17.003 -11.543 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.898 14.970 -12.536 1.00 0.00 H new ATOM 0 HE2 HIS A 398 3.321 15.336 -13.246 1.00 0.00 H new ATOM 625 N PRO A 399 4.265 17.745 -6.589 1.00 0.00 N ATOM 626 CA PRO A 399 4.829 18.469 -5.445 1.00 0.00 C ATOM 627 C PRO A 399 4.330 19.910 -5.391 1.00 0.00 C ATOM 628 O PRO A 399 4.795 20.788 -6.134 1.00 0.00 O ATOM 629 CB PRO A 399 6.354 18.433 -5.678 1.00 0.00 C ATOM 630 CG PRO A 399 6.487 18.058 -7.124 1.00 0.00 C ATOM 631 CD PRO A 399 5.339 17.129 -7.400 1.00 0.00 C ATOM 0 HA PRO A 399 4.536 18.017 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.813 19.400 -5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.841 17.704 -5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.443 18.939 -7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.443 17.571 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.085 17.093 -8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.554 16.107 -7.089 1.00 0.00 H new ATOM 639 N GLY A 400 3.349 20.141 -4.523 1.00 0.00 N ATOM 640 CA GLY A 400 2.706 21.444 -4.431 1.00 0.00 C ATOM 641 C GLY A 400 1.221 21.360 -4.743 1.00 0.00 C ATOM 642 O GLY A 400 0.558 22.369 -4.971 1.00 0.00 O ATOM 0 H GLY A 400 2.984 19.443 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.845 21.849 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.185 22.136 -5.124 1.00 0.00 H new ATOM 646 N ASP A 401 0.705 20.133 -4.800 1.00 0.00 N ATOM 647 CA ASP A 401 -0.727 19.898 -5.013 1.00 0.00 C ATOM 648 C ASP A 401 -1.381 19.442 -3.713 1.00 0.00 C ATOM 649 O ASP A 401 -0.750 18.740 -2.911 1.00 0.00 O ATOM 650 CB ASP A 401 -0.938 18.851 -6.118 1.00 0.00 C ATOM 651 CG ASP A 401 -2.404 18.564 -6.403 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.052 19.353 -7.128 1.00 0.00 O ATOM 653 OD2 ASP A 401 -2.939 17.548 -5.906 1.00 0.00 O ATOM 0 H ASP A 401 1.258 19.282 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.194 20.831 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.458 19.197 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.443 17.924 -5.830 1.00 0.00 H new ATOM 658 N SER A 402 -2.620 19.857 -3.511 1.00 0.00 N ATOM 659 CA SER A 402 -3.367 19.583 -2.281 1.00 0.00 C ATOM 660 C SER A 402 -3.395 18.076 -1.968 1.00 0.00 C ATOM 661 O SER A 402 -3.354 17.675 -0.796 1.00 0.00 O ATOM 662 CB SER A 402 -4.808 20.142 -2.412 1.00 0.00 C ATOM 663 OG SER A 402 -5.593 19.847 -1.268 1.00 0.00 O ATOM 0 H SER A 402 -3.146 20.398 -4.197 1.00 0.00 H new ATOM 0 HA SER A 402 -2.864 20.080 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 402 -4.767 21.222 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 402 -5.283 19.719 -3.298 1.00 0.00 H new ATOM 0 HG SER A 402 -6.493 20.216 -1.385 1.00 0.00 H new ATOM 669 N ASP A 403 -3.408 17.259 -3.020 1.00 0.00 N ATOM 670 CA ASP A 403 -3.564 15.821 -2.860 1.00 0.00 C ATOM 671 C ASP A 403 -2.278 15.055 -3.137 1.00 0.00 C ATOM 672 O ASP A 403 -2.304 13.836 -3.333 1.00 0.00 O ATOM 673 CB ASP A 403 -4.687 15.304 -3.771 1.00 0.00 C ATOM 674 CG ASP A 403 -6.055 15.782 -3.284 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.521 15.308 -2.230 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.670 16.644 -3.948 1.00 0.00 O ATOM 0 H ASP A 403 -3.313 17.570 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 403 -3.824 15.646 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.520 15.649 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.667 14.214 -3.796 1.00 0.00 H new ATOM 681 N TYR A 404 -1.137 15.762 -3.127 1.00 0.00 N ATOM 682 CA TYR A 404 0.150 15.089 -3.355 1.00 0.00 C ATOM 683 C TYR A 404 0.652 14.435 -2.077 1.00 0.00 C ATOM 684 O TYR A 404 0.604 15.026 -0.991 1.00 0.00 O ATOM 685 CB TYR A 404 1.194 16.087 -3.872 1.00 0.00 C ATOM 686 CG TYR A 404 2.482 15.418 -4.298 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.517 14.576 -5.397 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.675 15.624 -3.592 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.683 13.959 -5.802 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.848 15.019 -3.984 1.00 0.00 C ATOM 691 CZ TYR A 404 4.846 14.189 -5.096 1.00 0.00 C ATOM 692 OH TYR A 404 6.021 13.570 -5.485 1.00 0.00 O ATOM 0 H TYR A 404 -1.078 16.768 -2.969 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.004 14.315 -4.107 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.778 16.636 -4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.410 16.817 -3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.608 14.398 -5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.674 16.269 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.685 13.304 -6.661 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.760 15.189 -3.432 1.00 0.00 H new ATOM 0 HH TYR A 404 6.747 13.839 -4.884 1.00 0.00 H new ATOM 849 N ASP A 416 9.384 -4.221 -7.222 1.00 0.00 N ATOM 850 CA ASP A 416 9.031 -5.389 -6.427 1.00 0.00 C ATOM 851 C ASP A 416 9.070 -4.995 -4.955 1.00 0.00 C ATOM 852 O ASP A 416 8.319 -5.525 -4.124 1.00 0.00 O ATOM 853 CB ASP A 416 10.053 -6.488 -6.756 1.00 0.00 C ATOM 854 CG ASP A 416 9.851 -7.766 -5.968 1.00 0.00 C ATOM 855 OD1 ASP A 416 8.742 -8.340 -5.984 1.00 0.00 O ATOM 856 OD2 ASP A 416 10.828 -8.217 -5.356 1.00 0.00 O ATOM 0 HA ASP A 416 8.030 -5.759 -6.648 1.00 0.00 H new ATOM 0 HB2 ASP A 416 9.998 -6.716 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 416 11.056 -6.108 -6.563 1.00 0.00 H new ATOM 861 N ASP A 417 9.967 -4.061 -4.638 1.00 0.00 N ATOM 862 CA ASP A 417 10.028 -3.368 -3.355 1.00 0.00 C ATOM 863 C ASP A 417 10.320 -4.305 -2.182 1.00 0.00 C ATOM 864 O ASP A 417 9.418 -4.741 -1.481 1.00 0.00 O ATOM 865 CB ASP A 417 8.754 -2.544 -3.072 1.00 0.00 C ATOM 866 CG ASP A 417 8.801 -1.804 -1.733 1.00 0.00 C ATOM 867 OD1 ASP A 417 9.805 -1.096 -1.477 1.00 0.00 O ATOM 868 OD2 ASP A 417 7.838 -1.920 -0.951 1.00 0.00 O ATOM 0 H ASP A 417 10.692 -3.758 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 417 10.869 -2.680 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 417 8.611 -1.821 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 417 7.890 -3.208 -3.083 1.00 0.00 H new ATOM 873 N ARG A 418 11.595 -4.634 -2.044 1.00 0.00 N ATOM 874 CA ARG A 418 12.115 -5.403 -0.893 1.00 0.00 C ATOM 875 C ARG A 418 13.623 -5.557 -1.015 1.00 0.00 C ATOM 876 O ARG A 418 14.170 -5.466 -2.114 1.00 0.00 O ATOM 877 CB ARG A 418 11.441 -6.778 -0.756 1.00 0.00 C ATOM 878 CG ARG A 418 11.305 -7.521 -2.070 1.00 0.00 C ATOM 879 CD ARG A 418 10.648 -8.885 -1.890 1.00 0.00 C ATOM 880 NE ARG A 418 10.063 -9.330 -3.138 1.00 0.00 N ATOM 881 CZ ARG A 418 9.831 -10.597 -3.466 1.00 0.00 C ATOM 882 NH1 ARG A 418 10.150 -11.574 -2.626 1.00 0.00 N ATOM 883 NH2 ARG A 418 9.319 -10.885 -4.653 1.00 0.00 N ATOM 0 H ARG A 418 12.312 -4.380 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 418 11.878 -4.844 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 418 12.018 -7.388 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 418 10.451 -6.646 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 418 10.715 -6.923 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 418 12.291 -7.650 -2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 418 11.387 -9.610 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 418 9.879 -8.827 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 418 9.809 -8.614 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 418 10.575 -11.354 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 418 9.970 -12.545 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 418 9.104 -10.136 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 418 9.139 -11.856 -4.909 1.00 0.00 H new ATOM 897 N PRO A 419 14.311 -5.737 0.120 1.00 0.00 N ATOM 898 CA PRO A 419 15.759 -5.970 0.149 1.00 0.00 C ATOM 899 C PRO A 419 16.154 -7.122 -0.774 1.00 0.00 C ATOM 900 O PRO A 419 15.487 -8.157 -0.797 1.00 0.00 O ATOM 901 CB PRO A 419 16.035 -6.347 1.614 1.00 0.00 C ATOM 902 CG PRO A 419 14.926 -5.700 2.383 1.00 0.00 C ATOM 903 CD PRO A 419 13.715 -5.735 1.472 1.00 0.00 C ATOM 0 HA PRO A 419 16.326 -5.103 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 419 16.036 -7.428 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 419 17.009 -5.983 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 419 14.731 -6.235 3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 419 15.183 -4.676 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 419 13.106 -6.622 1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 419 13.070 -4.870 1.626 1.00 0.00 H new ATOM 911 N GLU A 420 17.232 -6.945 -1.537 1.00 0.00 N ATOM 912 CA GLU A 420 17.741 -8.012 -2.389 1.00 0.00 C ATOM 913 C GLU A 420 18.471 -9.054 -1.542 1.00 0.00 C ATOM 914 O GLU A 420 19.072 -8.725 -0.512 1.00 0.00 O ATOM 915 CB GLU A 420 18.659 -7.457 -3.493 1.00 0.00 C ATOM 916 CG GLU A 420 17.985 -6.412 -4.374 1.00 0.00 C ATOM 917 CD GLU A 420 18.035 -5.006 -3.779 1.00 0.00 C ATOM 918 OE1 GLU A 420 19.065 -4.326 -3.951 1.00 0.00 O ATOM 919 OE2 GLU A 420 17.050 -4.579 -3.136 1.00 0.00 O ATOM 0 H GLU A 420 17.765 -6.077 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 420 16.895 -8.492 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 420 19.543 -7.017 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 420 19.002 -8.281 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 420 18.467 -6.404 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 420 16.945 -6.696 -4.534 1.00 0.00 H new ATOM 926 N CYS A 421 18.413 -10.309 -1.992 1.00 0.00 N ATOM 927 CA CYS A 421 19.016 -11.416 -1.271 1.00 0.00 C ATOM 928 C CYS A 421 20.474 -11.110 -0.950 1.00 0.00 C ATOM 929 O CYS A 421 21.213 -10.629 -1.802 1.00 0.00 O ATOM 930 CB CYS A 421 18.891 -12.681 -2.122 1.00 0.00 C ATOM 931 SG CYS A 421 19.119 -14.243 -1.211 1.00 0.00 S ATOM 0 H CYS A 421 17.949 -10.578 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 421 18.499 -11.569 -0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 421 17.907 -12.691 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 421 19.626 -12.635 -2.926 1.00 0.00 H new ATOM 0 HG CYS A 421 18.789 -15.242 -1.974 1.00 0.00 H new ATOM 936 N PRO A 422 20.905 -11.387 0.305 1.00 0.00 N ATOM 937 CA PRO A 422 22.278 -11.090 0.762 1.00 0.00 C ATOM 938 C PRO A 422 23.336 -11.773 -0.117 1.00 0.00 C ATOM 939 O PRO A 422 24.439 -11.273 -0.281 1.00 0.00 O ATOM 940 CB PRO A 422 22.311 -11.662 2.199 1.00 0.00 C ATOM 941 CG PRO A 422 20.892 -11.684 2.621 1.00 0.00 C ATOM 942 CD PRO A 422 20.087 -11.989 1.390 1.00 0.00 C ATOM 0 HA PRO A 422 22.508 -10.026 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 422 22.747 -12.661 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 422 22.912 -11.039 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 422 20.727 -12.439 3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 422 20.599 -10.725 3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 422 19.954 -13.062 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 422 19.091 -11.548 1.438 1.00 0.00 H new ATOM 950 N TYR A 423 22.955 -12.894 -0.702 1.00 0.00 N ATOM 951 CA TYR A 423 23.874 -13.678 -1.528 1.00 0.00 C ATOM 952 C TYR A 423 23.651 -13.389 -3.020 1.00 0.00 C ATOM 953 O TYR A 423 24.267 -14.025 -3.888 1.00 0.00 O ATOM 954 CB TYR A 423 23.678 -15.175 -1.259 1.00 0.00 C ATOM 955 CG TYR A 423 23.861 -15.589 0.195 1.00 0.00 C ATOM 956 CD1 TYR A 423 22.836 -15.425 1.116 1.00 0.00 C ATOM 957 CD2 TYR A 423 25.057 -16.152 0.627 1.00 0.00 C ATOM 958 CE1 TYR A 423 22.994 -15.806 2.430 1.00 0.00 C ATOM 959 CE2 TYR A 423 25.216 -16.539 1.947 1.00 0.00 C ATOM 960 CZ TYR A 423 24.185 -16.362 2.844 1.00 0.00 C ATOM 961 OH TYR A 423 24.341 -16.756 4.152 1.00 0.00 O ATOM 0 H TYR A 423 22.017 -13.287 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 423 24.893 -13.393 -1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 423 22.676 -15.460 -1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 423 24.382 -15.736 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 423 21.899 -14.992 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 423 25.868 -16.288 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 423 22.187 -15.669 3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 423 26.147 -16.979 2.273 1.00 0.00 H new ATOM 0 HH TYR A 423 25.239 -17.128 4.277 1.00 0.00 H new ATOM 971 N GLY A 424 22.781 -12.429 -3.308 1.00 0.00 N ATOM 972 CA GLY A 424 22.441 -12.089 -4.682 1.00 0.00 C ATOM 973 C GLY A 424 21.674 -13.216 -5.361 1.00 0.00 C ATOM 974 O GLY A 424 21.047 -14.031 -4.690 1.00 0.00 O ATOM 0 H GLY A 424 22.297 -11.871 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 424 21.841 -11.179 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 424 23.352 -11.878 -5.242 1.00 0.00 H new ATOM 978 N PRO A 425 21.712 -13.291 -6.702 1.00 0.00 N ATOM 979 CA PRO A 425 21.041 -14.370 -7.451 1.00 0.00 C ATOM 980 C PRO A 425 21.753 -15.706 -7.256 1.00 0.00 C ATOM 981 O PRO A 425 21.187 -16.780 -7.518 1.00 0.00 O ATOM 982 CB PRO A 425 21.145 -13.901 -8.913 1.00 0.00 C ATOM 983 CG PRO A 425 22.337 -13.015 -8.941 1.00 0.00 C ATOM 984 CD PRO A 425 22.409 -12.348 -7.595 1.00 0.00 C ATOM 0 HA PRO A 425 20.015 -14.537 -7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 425 21.263 -14.745 -9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 425 20.247 -13.366 -9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 425 23.242 -13.590 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 425 22.251 -12.274 -9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 425 23.441 -12.188 -7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 425 21.924 -11.372 -7.605 1.00 0.00 H new ATOM 992 N SER A 426 22.993 -15.637 -6.768 1.00 0.00 N ATOM 993 CA SER A 426 23.791 -16.829 -6.445 1.00 0.00 C ATOM 994 C SER A 426 23.360 -17.405 -5.097 1.00 0.00 C ATOM 995 O SER A 426 23.960 -18.355 -4.596 1.00 0.00 O ATOM 996 CB SER A 426 25.277 -16.457 -6.419 1.00 0.00 C ATOM 997 OG SER A 426 26.093 -17.599 -6.197 1.00 0.00 O ATOM 0 H SER A 426 23.475 -14.757 -6.585 1.00 0.00 H new ATOM 0 HA SER A 426 23.628 -17.589 -7.209 1.00 0.00 H new ATOM 0 HB2 SER A 426 25.553 -15.989 -7.364 1.00 0.00 H new ATOM 0 HB3 SER A 426 25.456 -15.722 -5.634 1.00 0.00 H new ATOM 0 HG SER A 426 25.642 -18.207 -5.575 1.00 0.00 H new ATOM 1003 N CYS A 427 22.322 -16.811 -4.503 1.00 0.00 N ATOM 1004 CA CYS A 427 21.765 -17.264 -3.249 1.00 0.00 C ATOM 1005 C CYS A 427 21.375 -18.737 -3.332 1.00 0.00 C ATOM 1006 O CYS A 427 20.498 -19.119 -4.117 1.00 0.00 O ATOM 1007 CB CYS A 427 20.552 -16.406 -2.899 1.00 0.00 C ATOM 1008 SG CYS A 427 19.753 -16.802 -1.312 1.00 0.00 S ATOM 0 H CYS A 427 21.848 -15.996 -4.891 1.00 0.00 H new ATOM 0 HA CYS A 427 22.516 -17.163 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 427 20.860 -15.360 -2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 427 19.814 -16.508 -3.694 1.00 0.00 H new ATOM 0 HG CYS A 427 19.666 -15.725 -0.589 1.00 0.00 H new ATOM 1013 N TYR A 428 22.031 -19.543 -2.509 1.00 0.00 N ATOM 1014 CA TYR A 428 21.776 -20.983 -2.421 1.00 0.00 C ATOM 1015 C TYR A 428 20.957 -21.284 -1.171 1.00 0.00 C ATOM 1016 O TYR A 428 20.827 -22.434 -0.754 1.00 0.00 O ATOM 1017 CB TYR A 428 23.112 -21.745 -2.422 1.00 0.00 C ATOM 1018 CG TYR A 428 24.209 -21.050 -1.630 1.00 0.00 C ATOM 1019 CD1 TYR A 428 24.330 -21.189 -0.267 1.00 0.00 C ATOM 1020 CD2 TYR A 428 25.137 -20.204 -2.290 1.00 0.00 C ATOM 1021 CE1 TYR A 428 25.320 -20.539 0.446 1.00 0.00 C ATOM 1022 CE2 TYR A 428 26.121 -19.562 -1.585 1.00 0.00 C ATOM 1023 CZ TYR A 428 26.210 -19.729 -0.230 1.00 0.00 C ATOM 1024 OH TYR A 428 27.191 -19.091 0.482 1.00 0.00 O ATOM 0 H TYR A 428 22.762 -19.218 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 428 21.200 -21.313 -3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 428 22.953 -22.741 -2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 428 23.446 -21.876 -3.451 1.00 0.00 H new ATOM 0 HD1 TYR A 428 23.633 -21.823 0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 428 25.067 -20.065 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 428 25.396 -20.663 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 428 26.826 -18.925 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 428 26.801 -18.341 0.977 1.00 0.00 H new ATOM 1034 N ARG A 429 20.399 -20.226 -0.568 1.00 0.00 N ATOM 1035 CA ARG A 429 19.547 -20.371 0.594 1.00 0.00 C ATOM 1036 C ARG A 429 18.217 -20.972 0.173 1.00 0.00 C ATOM 1037 O ARG A 429 17.391 -20.292 -0.439 1.00 0.00 O ATOM 1038 CB ARG A 429 19.335 -19.009 1.287 1.00 0.00 C ATOM 1039 CG ARG A 429 20.613 -18.254 1.608 1.00 0.00 C ATOM 1040 CD ARG A 429 21.564 -19.075 2.476 1.00 0.00 C ATOM 1041 NE ARG A 429 20.957 -19.522 3.734 1.00 0.00 N ATOM 1042 CZ ARG A 429 21.516 -19.397 4.927 1.00 0.00 C ATOM 1043 NH1 ARG A 429 22.667 -18.739 5.079 1.00 0.00 N ATOM 1044 NH2 ARG A 429 20.899 -19.907 5.984 1.00 0.00 N ATOM 0 H ARG A 429 20.530 -19.262 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 429 20.029 -21.037 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 429 18.711 -18.385 0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 429 18.782 -19.170 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 429 21.115 -17.981 0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 429 20.365 -17.325 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 429 21.900 -19.946 1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 429 22.449 -18.479 2.699 1.00 0.00 H new ATOM 0 HE ARG A 429 20.038 -19.961 3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 429 23.128 -18.324 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 429 23.086 -18.651 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 429 20.006 -20.387 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 429 21.317 -19.819 6.910 1.00 0.00 H new ATOM 1058 N LYS A 430 18.023 -22.235 0.484 1.00 0.00 N ATOM 1059 CA LYS A 430 16.841 -22.973 0.059 1.00 0.00 C ATOM 1060 C LYS A 430 15.707 -22.815 1.059 1.00 0.00 C ATOM 1061 O LYS A 430 15.686 -23.487 2.086 1.00 0.00 O ATOM 1062 CB LYS A 430 17.190 -24.456 -0.128 1.00 0.00 C ATOM 1063 CG LYS A 430 18.379 -24.693 -1.051 1.00 0.00 C ATOM 1064 CD LYS A 430 18.703 -26.184 -1.172 1.00 0.00 C ATOM 1065 CE LYS A 430 17.628 -26.960 -1.908 1.00 0.00 C ATOM 1066 NZ LYS A 430 17.491 -26.497 -3.316 1.00 0.00 N ATOM 0 H LYS A 430 18.678 -22.785 1.039 1.00 0.00 H new ATOM 0 HA LYS A 430 16.504 -22.564 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 430 17.404 -24.896 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 430 16.321 -24.977 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 430 18.162 -24.285 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 430 19.250 -24.160 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 430 19.653 -26.304 -1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 430 18.831 -26.606 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 430 17.871 -28.023 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 430 16.675 -26.844 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 16.945 -27.196 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 16.997 -25.582 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 18.435 -26.389 -3.739 1.00 0.00 H new ATOM 1080 N ASN A 431 14.798 -21.890 0.766 1.00 0.00 N ATOM 1081 CA ASN A 431 13.610 -21.653 1.582 1.00 0.00 C ATOM 1082 C ASN A 431 12.703 -20.652 0.871 1.00 0.00 C ATOM 1083 O ASN A 431 13.149 -19.559 0.518 1.00 0.00 O ATOM 1084 CB ASN A 431 13.988 -21.096 2.958 1.00 0.00 C ATOM 1085 CG ASN A 431 12.828 -21.139 3.949 1.00 0.00 C ATOM 1086 OD1 ASN A 431 12.099 -22.124 4.009 1.00 0.00 O ATOM 1087 ND2 ASN A 431 12.628 -20.053 4.685 1.00 0.00 N ATOM 0 H ASN A 431 14.865 -21.280 -0.049 1.00 0.00 H new ATOM 0 HA ASN A 431 13.094 -22.603 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 431 14.825 -21.667 3.359 1.00 0.00 H new ATOM 0 HB3 ASN A 431 14.329 -20.066 2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 431 11.842 -20.014 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 431 13.260 -19.257 4.602 1.00 0.00 H new ATOM 1094 N PRO A 432 11.418 -21.000 0.666 1.00 0.00 N ATOM 1095 CA PRO A 432 10.478 -20.138 -0.064 1.00 0.00 C ATOM 1096 C PRO A 432 10.260 -18.808 0.636 1.00 0.00 C ATOM 1097 O PRO A 432 10.197 -17.756 -0.015 1.00 0.00 O ATOM 1098 CB PRO A 432 9.176 -20.964 -0.096 1.00 0.00 C ATOM 1099 CG PRO A 432 9.321 -21.947 1.022 1.00 0.00 C ATOM 1100 CD PRO A 432 10.789 -22.258 1.104 1.00 0.00 C ATOM 0 HA PRO A 432 10.847 -19.877 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 432 8.301 -20.329 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 432 9.051 -21.469 -1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 432 8.957 -21.529 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 432 8.740 -22.849 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 432 11.089 -22.528 2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 432 11.062 -23.092 0.458 1.00 0.00 H new ATOM 1108 N GLN A 433 10.204 -18.840 1.966 1.00 0.00 N ATOM 1109 CA GLN A 433 9.961 -17.643 2.764 1.00 0.00 C ATOM 1110 C GLN A 433 11.104 -16.646 2.587 1.00 0.00 C ATOM 1111 O GLN A 433 10.885 -15.440 2.520 1.00 0.00 O ATOM 1112 CB GLN A 433 9.802 -18.008 4.236 1.00 0.00 C ATOM 1113 CG GLN A 433 9.504 -16.823 5.146 1.00 0.00 C ATOM 1114 CD GLN A 433 8.203 -16.114 4.806 1.00 0.00 C ATOM 1115 OE1 GLN A 433 7.135 -16.468 5.301 1.00 0.00 O ATOM 1116 NE2 GLN A 433 8.293 -15.109 3.938 1.00 0.00 N ATOM 0 H GLN A 433 10.325 -19.690 2.516 1.00 0.00 H new ATOM 0 HA GLN A 433 9.037 -17.179 2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.998 -18.737 4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 433 10.716 -18.494 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 433 9.462 -17.169 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 433 10.326 -16.110 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 433 9.200 -14.849 3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.455 -14.599 3.659 1.00 0.00 H new ATOM 1125 N HIS A 434 12.322 -17.169 2.501 1.00 0.00 N ATOM 1126 CA HIS A 434 13.502 -16.337 2.268 1.00 0.00 C ATOM 1127 C HIS A 434 13.343 -15.553 0.969 1.00 0.00 C ATOM 1128 O HIS A 434 13.547 -14.344 0.904 1.00 0.00 O ATOM 1129 CB HIS A 434 14.770 -17.213 2.235 1.00 0.00 C ATOM 1130 CG HIS A 434 15.912 -16.586 1.498 1.00 0.00 C ATOM 1131 ND1 HIS A 434 16.576 -15.455 1.891 1.00 0.00 N ATOM 1132 CD2 HIS A 434 16.465 -16.937 0.308 1.00 0.00 C ATOM 1133 CE1 HIS A 434 17.463 -15.143 0.963 1.00 0.00 C ATOM 1134 NE2 HIS A 434 17.446 -16.026 -0.036 1.00 0.00 N ATOM 0 H HIS A 434 12.521 -18.166 2.589 1.00 0.00 H new ATOM 0 HA HIS A 434 13.603 -15.623 3.085 1.00 0.00 H new ATOM 0 HB2 HIS A 434 15.081 -17.426 3.258 1.00 0.00 H new ATOM 0 HB3 HIS A 434 14.529 -18.169 1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 434 16.181 -17.797 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 434 18.117 -14.285 1.008 1.00 0.00 H new ATOM 0 HE2 HIS A 434 18.030 -16.029 -0.872 1.00 0.00 H new ATOM 1142 N LYS A 435 12.952 -16.278 -0.068 1.00 0.00 N ATOM 1143 CA LYS A 435 12.763 -15.728 -1.401 1.00 0.00 C ATOM 1144 C LYS A 435 11.553 -14.774 -1.448 1.00 0.00 C ATOM 1145 O LYS A 435 11.401 -14.010 -2.400 1.00 0.00 O ATOM 1146 CB LYS A 435 12.594 -16.888 -2.377 1.00 0.00 C ATOM 1147 CG LYS A 435 13.757 -17.873 -2.328 1.00 0.00 C ATOM 1148 CD LYS A 435 13.452 -19.159 -3.103 1.00 0.00 C ATOM 1149 CE LYS A 435 13.081 -18.887 -4.551 1.00 0.00 C ATOM 1150 NZ LYS A 435 12.991 -20.143 -5.341 1.00 0.00 N ATOM 0 H LYS A 435 12.755 -17.277 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 435 13.635 -15.136 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 435 11.667 -17.415 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 435 12.499 -16.495 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 435 14.648 -17.402 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 435 13.980 -18.119 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 435 14.322 -19.815 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 435 12.635 -19.689 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 435 12.126 -18.364 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 435 13.824 -18.228 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 12.736 -19.917 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 13.910 -20.630 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 12.264 -20.762 -4.928 1.00 0.00 H new ATOM 1164 N ILE A 436 10.720 -14.848 -0.417 1.00 0.00 N ATOM 1165 CA ILE A 436 9.551 -13.991 -0.307 1.00 0.00 C ATOM 1166 C ILE A 436 9.917 -12.662 0.362 1.00 0.00 C ATOM 1167 O ILE A 436 9.386 -11.607 0.002 1.00 0.00 O ATOM 1168 CB ILE A 436 8.427 -14.710 0.500 1.00 0.00 C ATOM 1169 CG1 ILE A 436 7.840 -15.873 -0.323 1.00 0.00 C ATOM 1170 CG2 ILE A 436 7.328 -13.741 0.945 1.00 0.00 C ATOM 1171 CD1 ILE A 436 6.872 -16.730 0.451 1.00 0.00 C ATOM 0 H ILE A 436 10.836 -15.499 0.360 1.00 0.00 H new ATOM 0 HA ILE A 436 9.183 -13.781 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 436 8.877 -15.114 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 436 7.334 -15.468 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 436 8.656 -16.498 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 436 6.567 -14.286 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 436 7.760 -12.968 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 436 6.874 -13.279 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 436 6.499 -17.528 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 436 7.379 -17.164 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 436 6.037 -16.118 0.792 1.00 0.00 H new ATOM 1183 N GLU A 437 10.852 -12.725 1.298 1.00 0.00 N ATOM 1184 CA GLU A 437 11.279 -11.541 2.051 1.00 0.00 C ATOM 1185 C GLU A 437 12.386 -10.794 1.298 1.00 0.00 C ATOM 1186 O GLU A 437 12.579 -9.598 1.489 1.00 0.00 O ATOM 1187 CB GLU A 437 11.770 -11.949 3.442 1.00 0.00 C ATOM 1188 CG GLU A 437 10.839 -12.929 4.145 1.00 0.00 C ATOM 1189 CD GLU A 437 11.288 -13.275 5.551 1.00 0.00 C ATOM 1190 OE1 GLU A 437 11.049 -12.468 6.480 1.00 0.00 O ATOM 1191 OE2 GLU A 437 11.876 -14.360 5.749 1.00 0.00 O ATOM 0 H GLU A 437 11.335 -13.584 1.560 1.00 0.00 H new ATOM 0 HA GLU A 437 10.424 -10.874 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 437 12.759 -12.398 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 437 11.879 -11.056 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 437 9.837 -12.503 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 437 10.773 -13.844 3.556 1.00 0.00 H new ATOM 1198 N TYR A 438 13.112 -11.525 0.458 1.00 0.00 N ATOM 1199 CA TYR A 438 14.228 -10.964 -0.292 1.00 0.00 C ATOM 1200 C TYR A 438 14.063 -11.254 -1.777 1.00 0.00 C ATOM 1201 O TYR A 438 13.725 -12.372 -2.157 1.00 0.00 O ATOM 1202 CB TYR A 438 15.564 -11.560 0.193 1.00 0.00 C ATOM 1203 CG TYR A 438 15.895 -11.238 1.644 1.00 0.00 C ATOM 1204 CD1 TYR A 438 15.325 -11.960 2.691 1.00 0.00 C ATOM 1205 CD2 TYR A 438 16.782 -10.217 1.970 1.00 0.00 C ATOM 1206 CE1 TYR A 438 15.630 -11.673 4.009 1.00 0.00 C ATOM 1207 CE2 TYR A 438 17.084 -9.920 3.284 1.00 0.00 C ATOM 1208 CZ TYR A 438 16.507 -10.652 4.303 1.00 0.00 C ATOM 1209 OH TYR A 438 16.813 -10.348 5.613 1.00 0.00 O ATOM 0 H TYR A 438 12.944 -12.515 0.280 1.00 0.00 H new ATOM 0 HA TYR A 438 14.236 -9.886 -0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 438 15.533 -12.643 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 438 16.368 -11.189 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 438 14.632 -12.758 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 438 17.244 -9.645 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 438 15.182 -12.248 4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 438 17.769 -9.118 3.514 1.00 0.00 H new ATOM 0 HH TYR A 438 17.448 -9.602 5.636 1.00 0.00 H new ATOM 1219 N ARG A 439 14.309 -10.238 -2.601 1.00 0.00 N ATOM 1220 CA ARG A 439 14.241 -10.400 -4.058 1.00 0.00 C ATOM 1221 C ARG A 439 15.615 -10.785 -4.599 1.00 0.00 C ATOM 1222 O ARG A 439 16.630 -10.217 -4.215 1.00 0.00 O ATOM 1223 CB ARG A 439 13.737 -9.113 -4.732 1.00 0.00 C ATOM 1224 CG ARG A 439 14.504 -7.851 -4.341 1.00 0.00 C ATOM 1225 CD ARG A 439 13.951 -6.621 -5.056 1.00 0.00 C ATOM 1226 NE ARG A 439 14.774 -5.429 -4.778 1.00 0.00 N ATOM 1227 CZ ARG A 439 14.833 -4.354 -5.576 1.00 0.00 C ATOM 1228 NH1 ARG A 439 14.097 -4.289 -6.683 1.00 0.00 N ATOM 1229 NH2 ARG A 439 15.633 -3.347 -5.246 1.00 0.00 N ATOM 0 H ARG A 439 14.556 -9.298 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 439 13.532 -11.196 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 439 13.795 -9.238 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 439 12.685 -8.975 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 439 14.443 -7.705 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 439 15.559 -7.973 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 439 13.922 -6.804 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 439 12.925 -6.441 -4.735 1.00 0.00 H new ATOM 0 HE ARG A 439 15.333 -5.422 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 439 13.480 -5.062 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 439 14.150 -3.466 -7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 439 16.192 -3.398 -4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 439 15.688 -2.522 -5.844 1.00 0.00 H new ATOM 1243 N HIS A 440 15.625 -11.779 -5.493 1.00 0.00 N ATOM 1244 CA HIS A 440 16.862 -12.271 -6.080 1.00 0.00 C ATOM 1245 C HIS A 440 17.048 -11.693 -7.482 1.00 0.00 C ATOM 1246 O HIS A 440 16.669 -12.306 -8.479 1.00 0.00 O ATOM 1247 CB HIS A 440 16.848 -13.804 -6.090 1.00 0.00 C ATOM 1248 CG HIS A 440 16.777 -14.404 -4.715 1.00 0.00 C ATOM 1249 ND1 HIS A 440 15.733 -14.215 -3.840 1.00 0.00 N ATOM 1250 CD2 HIS A 440 17.695 -15.151 -4.054 1.00 0.00 C ATOM 1251 CE1 HIS A 440 16.029 -14.838 -2.704 1.00 0.00 C ATOM 1252 NE2 HIS A 440 17.226 -15.430 -2.777 1.00 0.00 N ATOM 0 H HIS A 440 14.785 -12.255 -5.822 1.00 0.00 H new ATOM 0 HA HIS A 440 17.712 -11.945 -5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 440 15.995 -14.149 -6.675 1.00 0.00 H new ATOM 0 HB3 HIS A 440 17.746 -14.166 -6.591 1.00 0.00 H new ATOM 0 HD1 HIS A 440 14.880 -13.689 -4.030 1.00 0.00 H new ATOM 0 HD2 HIS A 440 18.642 -15.478 -4.457 1.00 0.00 H new ATOM 0 HE1 HIS A 440 15.387 -14.863 -1.836 1.00 0.00 H new ATOM 1260 N ASN A 441 17.593 -10.486 -7.537 1.00 0.00 N ATOM 1261 CA ASN A 441 17.837 -9.795 -8.811 1.00 0.00 C ATOM 1262 C ASN A 441 19.263 -10.049 -9.276 1.00 0.00 C ATOM 1263 O ASN A 441 20.144 -10.331 -8.456 1.00 0.00 O ATOM 1264 CB ASN A 441 17.600 -8.292 -8.670 1.00 0.00 C ATOM 1265 CG ASN A 441 16.136 -7.911 -8.543 1.00 0.00 C ATOM 1266 OD1 ASN A 441 15.255 -8.612 -9.053 1.00 0.00 O ATOM 1267 ND2 ASN A 441 15.847 -6.807 -7.881 1.00 0.00 N ATOM 0 H ASN A 441 17.879 -9.956 -6.713 1.00 0.00 H new ATOM 0 HA ASN A 441 17.139 -10.187 -9.551 1.00 0.00 H new ATOM 0 HB2 ASN A 441 18.137 -7.930 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 441 18.024 -7.784 -9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 441 14.876 -6.513 -7.780 1.00 0.00 H new ATOM 0 HD22 ASN A 441 16.595 -6.248 -7.470 1.00 0.00 H new ATOM 1274 N THR A 442 19.494 -9.900 -10.578 1.00 0.00 N ATOM 1275 CA THR A 442 20.797 -10.151 -11.161 1.00 0.00 C ATOM 1276 C THR A 442 21.516 -8.829 -11.390 1.00 0.00 C ATOM 1277 O THR A 442 20.936 -7.763 -11.250 1.00 0.00 O ATOM 1278 CB THR A 442 20.666 -10.922 -12.498 1.00 0.00 C ATOM 1279 OG1 THR A 442 19.719 -10.244 -13.355 1.00 0.00 O ATOM 1280 CG2 THR A 442 20.206 -12.348 -12.280 1.00 0.00 C ATOM 0 H THR A 442 18.785 -9.604 -11.249 1.00 0.00 H new ATOM 0 HA THR A 442 21.375 -10.765 -10.470 1.00 0.00 H new ATOM 0 HB THR A 442 21.651 -10.950 -12.965 1.00 0.00 H new ATOM 0 HG1 THR A 442 19.637 -10.731 -14.202 1.00 0.00 H new ATOM 0 HG21 THR A 442 20.126 -12.856 -13.241 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.927 -12.871 -11.652 1.00 0.00 H new ATOM 0 HG23 THR A 442 19.233 -12.345 -11.789 1.00 0.00 H new ATOM 1288 N LEU A 443 22.800 -8.922 -11.766 1.00 0.00 N ATOM 1289 CA LEU A 443 23.607 -7.728 -11.972 1.00 0.00 C ATOM 1290 C LEU A 443 24.459 -7.882 -13.242 1.00 0.00 C ATOM 1291 O LEU A 443 24.821 -9.003 -13.614 1.00 0.00 O ATOM 1292 CB LEU A 443 24.474 -7.439 -10.720 1.00 0.00 C ATOM 1293 CG LEU A 443 25.054 -8.657 -9.974 1.00 0.00 C ATOM 1294 CD1 LEU A 443 26.126 -9.369 -10.786 1.00 0.00 C ATOM 1295 CD2 LEU A 443 25.590 -8.255 -8.610 1.00 0.00 C ATOM 0 H LEU A 443 23.289 -9.802 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 443 22.952 -6.869 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 443 25.304 -6.800 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 443 23.871 -6.866 -10.016 1.00 0.00 H new ATOM 0 HG LEU A 443 24.235 -9.362 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 443 26.505 -10.220 -10.221 1.00 0.00 H new ATOM 0 HD12 LEU A 443 25.698 -9.719 -11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 443 26.943 -8.678 -10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 443 25.993 -9.132 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 443 26.379 -7.513 -8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 443 24.783 -7.831 -8.012 1.00 0.00 H new ATOM 1307 N PRO A 444 24.798 -6.772 -13.914 1.00 0.00 N ATOM 1308 CA PRO A 444 25.520 -6.788 -15.209 1.00 0.00 C ATOM 1309 C PRO A 444 26.873 -7.487 -15.080 1.00 0.00 C ATOM 1310 O PRO A 444 27.446 -7.945 -16.082 1.00 0.00 O ATOM 1311 CB PRO A 444 25.719 -5.300 -15.543 1.00 0.00 C ATOM 1312 CG PRO A 444 25.497 -4.584 -14.260 1.00 0.00 C ATOM 1313 CD PRO A 444 24.474 -5.371 -13.519 1.00 0.00 C ATOM 0 HA PRO A 444 24.971 -7.330 -15.979 1.00 0.00 H new ATOM 0 HB2 PRO A 444 26.720 -5.113 -15.931 1.00 0.00 H new ATOM 0 HB3 PRO A 444 25.015 -4.969 -16.306 1.00 0.00 H new ATOM 0 HG2 PRO A 444 26.422 -4.512 -13.689 1.00 0.00 H new ATOM 0 HG3 PRO A 444 25.152 -3.565 -14.437 1.00 0.00 H new ATOM 0 HD2 PRO A 444 24.551 -5.225 -12.442 1.00 0.00 H new ATOM 0 HD3 PRO A 444 23.460 -5.092 -13.807 1.00 0.00 H new ATOM 1321 N VAL A 445 27.424 -7.511 -13.870 1.00 0.00 N ATOM 1322 CA VAL A 445 28.616 -8.271 -13.488 1.00 0.00 C ATOM 1323 C VAL A 445 29.844 -7.937 -14.351 1.00 0.00 C ATOM 1324 O VAL A 445 30.903 -8.554 -14.202 1.00 0.00 O ATOM 1325 CB VAL A 445 28.353 -9.830 -13.534 1.00 0.00 C ATOM 1326 CG1 VAL A 445 28.414 -10.394 -14.934 1.00 0.00 C ATOM 1327 CG2 VAL A 445 29.330 -10.576 -12.622 1.00 0.00 C ATOM 0 H VAL A 445 27.036 -6.978 -13.092 1.00 0.00 H new ATOM 0 HA VAL A 445 28.835 -7.971 -12.463 1.00 0.00 H new ATOM 0 HB VAL A 445 27.336 -9.980 -13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 445 28.226 -11.467 -14.902 1.00 0.00 H new ATOM 0 HG12 VAL A 445 27.659 -9.911 -15.554 1.00 0.00 H new ATOM 0 HG13 VAL A 445 29.402 -10.211 -15.357 1.00 0.00 H new ATOM 0 HG21 VAL A 445 29.129 -11.646 -12.671 1.00 0.00 H new ATOM 0 HG22 VAL A 445 30.352 -10.384 -12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 445 29.206 -10.230 -11.596 1.00 0.00 H new ATOM 1337 N ARG A 446 29.728 -6.918 -15.206 1.00 0.00 N ATOM 1338 CA ARG A 446 30.837 -6.571 -16.126 1.00 0.00 C ATOM 1339 C ARG A 446 31.212 -5.096 -16.006 1.00 0.00 C ATOM 1340 O ARG A 446 30.487 -4.322 -15.391 1.00 0.00 O ATOM 1341 CB ARG A 446 30.453 -6.850 -17.570 1.00 0.00 C ATOM 1342 CG ARG A 446 29.275 -6.034 -18.062 1.00 0.00 C ATOM 1343 CD ARG A 446 29.078 -6.145 -19.586 1.00 0.00 C ATOM 1344 NE ARG A 446 28.031 -5.241 -20.056 1.00 0.00 N ATOM 1345 CZ ARG A 446 28.199 -4.336 -21.037 1.00 0.00 C ATOM 1346 NH1 ARG A 446 29.383 -4.163 -21.599 1.00 0.00 N ATOM 1347 NH2 ARG A 446 27.168 -3.573 -21.431 1.00 0.00 N ATOM 0 H ARG A 446 28.902 -6.325 -15.288 1.00 0.00 H new ATOM 0 HA ARG A 446 31.689 -7.190 -15.843 1.00 0.00 H new ATOM 0 HB2 ARG A 446 31.313 -6.650 -18.209 1.00 0.00 H new ATOM 0 HB3 ARG A 446 30.218 -7.909 -17.675 1.00 0.00 H new ATOM 0 HG2 ARG A 446 28.369 -6.368 -17.556 1.00 0.00 H new ATOM 0 HG3 ARG A 446 29.423 -4.988 -17.793 1.00 0.00 H new ATOM 0 HD2 ARG A 446 30.015 -5.914 -20.093 1.00 0.00 H new ATOM 0 HD3 ARG A 446 28.819 -7.171 -19.847 1.00 0.00 H new ATOM 0 HE ARG A 446 27.115 -5.300 -19.612 1.00 0.00 H new ATOM 0 HH11 ARG A 446 30.180 -4.719 -21.290 1.00 0.00 H new ATOM 0 HH12 ARG A 446 29.499 -3.474 -22.342 1.00 0.00 H new ATOM 0 HH21 ARG A 446 26.256 -3.679 -20.987 1.00 0.00 H new ATOM 0 HH22 ARG A 446 27.296 -2.887 -22.175 1.00 0.00 H new ATOM 1361 N ASN A 447 32.304 -4.758 -16.638 1.00 0.00 N ATOM 1362 CA ASN A 447 32.745 -3.374 -16.764 1.00 0.00 C ATOM 1363 C ASN A 447 33.146 -3.060 -18.200 1.00 0.00 C ATOM 1364 O ASN A 447 32.898 -1.971 -18.709 1.00 0.00 O ATOM 1365 CB ASN A 447 33.945 -3.100 -15.821 1.00 0.00 C ATOM 1366 CG ASN A 447 34.565 -1.722 -16.037 1.00 0.00 C ATOM 1367 OD1 ASN A 447 35.502 -1.558 -16.796 1.00 0.00 O ATOM 1368 ND2 ASN A 447 34.007 -0.728 -15.367 1.00 0.00 N ATOM 0 H ASN A 447 32.924 -5.432 -17.087 1.00 0.00 H new ATOM 0 HA ASN A 447 31.911 -2.731 -16.483 1.00 0.00 H new ATOM 0 HB2 ASN A 447 33.615 -3.186 -14.786 1.00 0.00 H new ATOM 0 HB3 ASN A 447 34.706 -3.864 -15.978 1.00 0.00 H new ATOM 0 HD21 ASN A 447 34.361 0.222 -15.476 1.00 0.00 H new ATOM 0 HD22 ASN A 447 33.223 -0.912 -14.741 1.00 0.00 H new ATOM 1375 N VAL A 448 33.749 -4.046 -18.843 1.00 0.00 N ATOM 1376 CA VAL A 448 34.171 -3.969 -20.256 1.00 0.00 C ATOM 1377 C VAL A 448 33.022 -4.419 -21.154 1.00 0.00 C ATOM 1378 O VAL A 448 31.940 -4.784 -20.694 1.00 0.00 O ATOM 1379 CB VAL A 448 35.418 -4.809 -20.543 1.00 0.00 C ATOM 1380 CG1 VAL A 448 36.616 -4.333 -19.713 1.00 0.00 C ATOM 1381 CG2 VAL A 448 35.146 -6.313 -20.281 1.00 0.00 C ATOM 0 H VAL A 448 33.968 -4.940 -18.404 1.00 0.00 H new ATOM 0 HA VAL A 448 34.430 -2.931 -20.466 1.00 0.00 H new ATOM 0 HB VAL A 448 35.663 -4.679 -21.597 1.00 0.00 H new ATOM 0 HG11 VAL A 448 37.485 -4.951 -19.941 1.00 0.00 H new ATOM 0 HG12 VAL A 448 36.836 -3.293 -19.955 1.00 0.00 H new ATOM 0 HG13 VAL A 448 36.380 -4.416 -18.652 1.00 0.00 H new ATOM 0 HG21 VAL A 448 36.048 -6.888 -20.492 1.00 0.00 H new ATOM 0 HG22 VAL A 448 34.861 -6.455 -19.239 1.00 0.00 H new ATOM 0 HG23 VAL A 448 34.338 -6.655 -20.928 1.00 0.00 H new