USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=11 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 305 LYS NZ :NH3+ -175:sc= -1.31 (180deg=-0.513) USER MOD Set 1.2: B 624 MET CE :methyl 173:sc= -1.45 (180deg=-0.369) USER MOD Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 306 MET CE :methyl -179:sc= -0.598 (180deg=-0.64) USER MOD Single : A 307 ASN : amide:sc= -1.19 K(o=-1.2,f=-6.2!) USER MOD Single : A 308 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.13) USER MOD Single : B 594 SER OG : rot 180:sc= 0 USER MOD Single : B 599 SER OG : rot 180:sc=-0.00497 USER MOD Single : B 606 THR OG1 : rot -19:sc= 0.897 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot -21:sc= 0.424! USER MOD Single : B 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -0.441 K(o=-0.44,f=-3.4!) USER MOD Single : B 642 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 646 ASN : amide:sc= -2.1! C(o=-2.1!,f=-1.9!) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.54) USER MOD Single : B 649 MET CE :methyl 143:sc= -0.0675 (180deg=-1.6!) USER MOD Single : B 650 ASN : amide:sc=-0.00888 X(o=-0.0089,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.361 -2.946 -1.858 1.00 0.00 N ATOM 339 CA GLU A 301 17.644 -3.995 -2.631 1.00 0.00 C ATOM 340 C GLU A 301 16.160 -3.883 -2.339 1.00 0.00 C ATOM 341 O GLU A 301 15.320 -4.271 -3.126 1.00 0.00 O ATOM 342 CB GLU A 301 18.128 -5.366 -2.150 1.00 0.00 C ATOM 343 CG GLU A 301 18.055 -5.429 -0.623 1.00 0.00 C ATOM 344 CD GLU A 301 18.521 -6.804 -0.143 1.00 0.00 C ATOM 345 OE1 GLU A 301 19.484 -7.308 -0.697 1.00 0.00 O ATOM 346 OE2 GLU A 301 17.907 -7.330 0.770 1.00 0.00 O ATOM 0 HA GLU A 301 17.832 -3.874 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 301 17.514 -6.154 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 301 19.151 -5.539 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 301 18.680 -4.650 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 301 17.034 -5.243 -0.290 1.00 0.00 H new ATOM 353 N PHE A 302 15.840 -3.343 -1.198 1.00 0.00 N ATOM 354 CA PHE A 302 14.421 -3.197 -0.832 1.00 0.00 C ATOM 355 C PHE A 302 13.740 -2.262 -1.832 1.00 0.00 C ATOM 356 O PHE A 302 12.878 -2.661 -2.592 1.00 0.00 O ATOM 357 CB PHE A 302 14.301 -2.618 0.579 1.00 0.00 C ATOM 358 CG PHE A 302 12.851 -2.643 1.009 1.00 0.00 C ATOM 359 CD1 PHE A 302 12.251 -3.853 1.382 1.00 0.00 C ATOM 360 CD2 PHE A 302 12.104 -1.457 1.032 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.906 -3.878 1.778 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.761 -1.482 1.427 1.00 0.00 C ATOM 363 CZ PHE A 302 10.163 -2.692 1.800 1.00 0.00 C ATOM 0 H PHE A 302 16.507 -2.998 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 302 13.939 -4.174 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.908 -3.197 1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.680 -1.596 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 302 12.825 -4.768 1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.565 -0.523 0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 302 10.444 -4.811 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 302 10.186 -0.568 1.444 1.00 0.00 H new ATOM 0 HZ PHE A 302 9.127 -2.710 2.105 1.00 0.00 H new ATOM 373 N CYS A 303 14.126 -1.015 -1.838 1.00 0.00 N ATOM 374 CA CYS A 303 13.507 -0.045 -2.780 1.00 0.00 C ATOM 375 C CYS A 303 14.190 -0.139 -4.146 1.00 0.00 C ATOM 376 O CYS A 303 13.544 -0.170 -5.175 1.00 0.00 O ATOM 377 CB CYS A 303 13.672 1.367 -2.225 1.00 0.00 C ATOM 378 SG CYS A 303 12.614 2.505 -3.152 1.00 0.00 S ATOM 0 H CYS A 303 14.846 -0.627 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 303 12.448 -0.276 -2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 303 13.408 1.387 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.714 1.679 -2.299 1.00 0.00 H new ATOM 383 N SER A 304 15.493 -0.170 -4.162 1.00 0.00 N ATOM 384 CA SER A 304 16.224 -0.249 -5.458 1.00 0.00 C ATOM 385 C SER A 304 15.631 -1.358 -6.332 1.00 0.00 C ATOM 386 O SER A 304 15.667 -1.283 -7.549 1.00 0.00 O ATOM 387 CB SER A 304 17.700 -0.548 -5.190 1.00 0.00 C ATOM 388 OG SER A 304 18.247 0.484 -4.379 1.00 0.00 O ATOM 0 H SER A 304 16.085 -0.144 -3.332 1.00 0.00 H new ATOM 0 HA SER A 304 16.128 0.703 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 304 17.803 -1.512 -4.692 1.00 0.00 H new ATOM 0 HB3 SER A 304 18.246 -0.616 -6.131 1.00 0.00 H new ATOM 0 HG SER A 304 19.193 0.295 -4.203 1.00 0.00 H new ATOM 394 N LYS A 305 15.034 -2.363 -5.729 1.00 0.00 N ATOM 395 CA LYS A 305 14.403 -3.455 -6.544 1.00 0.00 C ATOM 396 C LYS A 305 12.894 -3.232 -6.562 1.00 0.00 C ATOM 397 O LYS A 305 12.184 -3.755 -7.408 1.00 0.00 O ATOM 398 CB LYS A 305 14.742 -4.836 -5.977 1.00 0.00 C ATOM 399 CG LYS A 305 14.357 -5.916 -6.990 1.00 0.00 C ATOM 400 CD LYS A 305 14.596 -7.298 -6.378 1.00 0.00 C ATOM 401 CE LYS A 305 14.208 -8.381 -7.387 1.00 0.00 C ATOM 402 NZ LYS A 305 12.750 -8.290 -7.679 1.00 0.00 N ATOM 0 H LYS A 305 14.957 -2.474 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 305 14.795 -3.423 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 305 15.807 -4.897 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.209 -4.996 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 305 13.310 -5.808 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 305 14.946 -5.803 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 305 15.644 -7.406 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 305 14.009 -7.409 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 305 14.782 -8.259 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.449 -9.367 -6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 12.470 -9.077 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 12.214 -8.342 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 12.547 -7.387 -8.154 1.00 0.00 H new ATOM 416 N MET A 306 12.393 -2.403 -5.694 1.00 0.00 N ATOM 417 CA MET A 306 10.945 -2.121 -5.741 1.00 0.00 C ATOM 418 C MET A 306 10.682 -1.273 -6.976 1.00 0.00 C ATOM 419 O MET A 306 9.599 -1.295 -7.527 1.00 0.00 O ATOM 420 CB MET A 306 10.501 -1.362 -4.484 1.00 0.00 C ATOM 421 CG MET A 306 8.962 -1.367 -4.364 1.00 0.00 C ATOM 422 SD MET A 306 8.443 -2.701 -3.247 1.00 0.00 S ATOM 423 CE MET A 306 7.890 -1.673 -1.862 1.00 0.00 C ATOM 0 H MET A 306 12.918 -1.917 -4.966 1.00 0.00 H new ATOM 0 HA MET A 306 10.383 -3.054 -5.784 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.942 -1.822 -3.600 1.00 0.00 H new ATOM 0 HB3 MET A 306 10.865 -0.335 -4.524 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.613 -0.406 -3.986 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.511 -1.505 -5.347 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.543 -2.312 -1.050 1.00 0.00 H new ATOM 0 HE2 MET A 306 8.719 -1.058 -1.511 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.074 -1.029 -2.190 1.00 0.00 H new ATOM 433 N ASN A 307 11.669 -0.531 -7.444 1.00 0.00 N ATOM 434 CA ASN A 307 11.442 0.290 -8.671 1.00 0.00 C ATOM 435 C ASN A 307 11.755 -0.611 -9.866 1.00 0.00 C ATOM 436 O ASN A 307 11.078 -0.591 -10.874 1.00 0.00 O ATOM 437 CB ASN A 307 12.357 1.516 -8.674 1.00 0.00 C ATOM 438 CG ASN A 307 11.996 2.427 -7.499 1.00 0.00 C ATOM 439 OD1 ASN A 307 10.837 2.588 -7.174 1.00 0.00 O ATOM 440 ND2 ASN A 307 12.948 3.033 -6.844 1.00 0.00 N ATOM 0 H ASN A 307 12.601 -0.463 -7.034 1.00 0.00 H new ATOM 0 HA ASN A 307 10.415 0.653 -8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.399 1.205 -8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 307 12.252 2.058 -9.614 1.00 0.00 H new ATOM 0 HD21 ASN A 307 12.719 3.642 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 307 13.921 2.897 -7.117 1.00 0.00 H new ATOM 447 N GLN A 308 12.797 -1.418 -9.723 1.00 0.00 N ATOM 448 CA GLN A 308 13.202 -2.375 -10.811 1.00 0.00 C ATOM 449 C GLN A 308 11.953 -2.918 -11.503 1.00 0.00 C ATOM 450 O GLN A 308 11.917 -3.080 -12.706 1.00 0.00 O ATOM 451 CB GLN A 308 13.969 -3.548 -10.184 1.00 0.00 C ATOM 452 CG GLN A 308 14.225 -4.653 -11.224 1.00 0.00 C ATOM 453 CD GLN A 308 14.919 -4.060 -12.453 1.00 0.00 C ATOM 454 OE1 GLN A 308 14.518 -4.312 -13.572 1.00 0.00 O ATOM 455 NE2 GLN A 308 15.952 -3.279 -12.291 1.00 0.00 N ATOM 0 H GLN A 308 13.385 -1.450 -8.890 1.00 0.00 H new ATOM 0 HA GLN A 308 13.830 -1.858 -11.537 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.918 -3.194 -9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.400 -3.954 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 308 14.844 -5.438 -10.789 1.00 0.00 H new ATOM 0 HG3 GLN A 308 13.282 -5.116 -11.516 1.00 0.00 H new ATOM 0 HE21 GLN A 308 16.289 -3.067 -11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 308 16.422 -2.880 -13.104 1.00 0.00 H new ATOM 464 N VAL A 309 10.923 -3.193 -10.743 1.00 0.00 N ATOM 465 CA VAL A 309 9.662 -3.717 -11.356 1.00 0.00 C ATOM 466 C VAL A 309 9.294 -2.871 -12.581 1.00 0.00 C ATOM 467 O VAL A 309 8.458 -3.244 -13.380 1.00 0.00 O ATOM 468 CB VAL A 309 8.523 -3.648 -10.336 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.274 -4.307 -10.924 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.935 -4.392 -9.067 1.00 0.00 C ATOM 0 H VAL A 309 10.899 -3.079 -9.730 1.00 0.00 H new ATOM 0 HA VAL A 309 9.817 -4.752 -11.659 1.00 0.00 H new ATOM 0 HB VAL A 309 8.309 -2.606 -10.098 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.462 -4.259 -10.199 1.00 0.00 H new ATOM 0 HG12 VAL A 309 6.980 -3.783 -11.834 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.489 -5.349 -11.159 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.126 -4.345 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.146 -5.434 -9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.828 -3.929 -8.648 1.00 0.00 H new ATOM 480 N CYS A 310 9.925 -1.740 -12.736 1.00 0.00 N ATOM 481 CA CYS A 310 9.638 -0.866 -13.906 1.00 0.00 C ATOM 482 C CYS A 310 10.219 -1.500 -15.174 1.00 0.00 C ATOM 483 O CYS A 310 9.558 -1.598 -16.189 1.00 0.00 O ATOM 484 CB CYS A 310 10.283 0.504 -13.680 1.00 0.00 C ATOM 485 SG CYS A 310 9.549 1.707 -14.815 1.00 0.00 S ATOM 0 H CYS A 310 10.633 -1.382 -12.096 1.00 0.00 H new ATOM 0 HA CYS A 310 8.560 -0.751 -14.021 1.00 0.00 H new ATOM 0 HB2 CYS A 310 10.134 0.823 -12.648 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.359 0.443 -13.843 1.00 0.00 H new ATOM 490 N GLY A 311 11.450 -1.929 -15.124 1.00 0.00 N ATOM 491 CA GLY A 311 12.071 -2.554 -16.328 1.00 0.00 C ATOM 492 C GLY A 311 11.381 -3.885 -16.631 1.00 0.00 C ATOM 493 O GLY A 311 10.949 -4.586 -15.737 1.00 0.00 O ATOM 0 H GLY A 311 12.053 -1.874 -14.303 1.00 0.00 H new ATOM 0 HA2 GLY A 311 11.983 -1.884 -17.184 1.00 0.00 H new ATOM 0 HA3 GLY A 311 13.135 -2.715 -16.158 1.00 0.00 H new ATOM 928 N GLY B 593 -6.577 5.799 -2.480 1.00 0.00 N ATOM 929 CA GLY B 593 -5.907 6.351 -1.270 1.00 0.00 C ATOM 930 C GLY B 593 -4.839 7.356 -1.703 1.00 0.00 C ATOM 931 O GLY B 593 -4.996 8.050 -2.689 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.639 6.835 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -5.453 5.546 -0.691 1.00 0.00 H new ATOM 935 N SER B 594 -3.751 7.439 -0.978 1.00 0.00 N ATOM 936 CA SER B 594 -2.664 8.399 -1.350 1.00 0.00 C ATOM 937 C SER B 594 -1.526 7.656 -2.041 1.00 0.00 C ATOM 938 O SER B 594 -1.425 6.445 -1.989 1.00 0.00 O ATOM 939 CB SER B 594 -2.104 9.082 -0.108 1.00 0.00 C ATOM 940 OG SER B 594 -3.101 9.915 0.466 1.00 0.00 O ATOM 0 H SER B 594 -3.568 6.883 -0.143 1.00 0.00 H new ATOM 0 HA SER B 594 -3.090 9.146 -2.020 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.779 8.334 0.616 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.227 9.674 -0.370 1.00 0.00 H new ATOM 0 HG SER B 594 -2.741 10.353 1.266 1.00 0.00 H new ATOM 946 N LEU B 595 -0.669 8.393 -2.688 1.00 0.00 N ATOM 947 CA LEU B 595 0.488 7.787 -3.403 1.00 0.00 C ATOM 948 C LEU B 595 1.717 7.835 -2.495 1.00 0.00 C ATOM 949 O LEU B 595 2.150 8.896 -2.091 1.00 0.00 O ATOM 950 CB LEU B 595 0.751 8.619 -4.657 1.00 0.00 C ATOM 951 CG LEU B 595 -0.216 8.209 -5.772 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.650 8.216 -5.241 1.00 0.00 C ATOM 953 CD2 LEU B 595 -0.100 9.199 -6.933 1.00 0.00 C ATOM 0 H LEU B 595 -0.723 9.410 -2.753 1.00 0.00 H new ATOM 0 HA LEU B 595 0.278 6.751 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.631 9.679 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.780 8.478 -4.987 1.00 0.00 H new ATOM 0 HG LEU B 595 0.036 7.206 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -2.334 7.924 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -1.735 7.512 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.904 9.217 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -0.787 8.910 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -0.351 10.201 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU B 595 0.921 9.193 -7.316 1.00 0.00 H new ATOM 965 N LEU B 596 2.285 6.696 -2.172 1.00 0.00 N ATOM 966 CA LEU B 596 3.496 6.671 -1.289 1.00 0.00 C ATOM 967 C LEU B 596 4.601 5.845 -1.962 1.00 0.00 C ATOM 968 O LEU B 596 4.341 4.997 -2.794 1.00 0.00 O ATOM 969 CB LEU B 596 3.131 6.063 0.082 1.00 0.00 C ATOM 970 CG LEU B 596 1.668 6.416 0.458 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.717 5.322 -0.042 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.535 6.534 1.984 1.00 0.00 C ATOM 0 H LEU B 596 1.961 5.780 -2.483 1.00 0.00 H new ATOM 0 HA LEU B 596 3.857 7.688 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU B 596 3.254 4.980 0.051 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.811 6.440 0.846 1.00 0.00 H new ATOM 0 HG LEU B 596 1.408 7.366 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.307 5.580 0.227 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.797 5.238 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.984 4.370 0.417 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.505 6.782 2.241 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.806 5.585 2.447 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.199 7.318 2.348 1.00 0.00 H new ATOM 984 N ARG B 597 5.833 6.104 -1.616 1.00 0.00 N ATOM 985 CA ARG B 597 6.971 5.363 -2.235 1.00 0.00 C ATOM 986 C ARG B 597 7.270 4.075 -1.461 1.00 0.00 C ATOM 987 O ARG B 597 6.552 3.683 -0.562 1.00 0.00 O ATOM 988 CB ARG B 597 8.213 6.257 -2.246 1.00 0.00 C ATOM 989 CG ARG B 597 7.841 7.636 -2.796 1.00 0.00 C ATOM 990 CD ARG B 597 9.079 8.532 -2.814 1.00 0.00 C ATOM 991 NE ARG B 597 9.480 8.848 -1.414 1.00 0.00 N ATOM 992 CZ ARG B 597 10.663 9.342 -1.171 1.00 0.00 C ATOM 993 NH1 ARG B 597 11.494 9.557 -2.154 1.00 0.00 N ATOM 994 NH2 ARG B 597 11.015 9.620 0.055 1.00 0.00 N ATOM 0 H ARG B 597 6.103 6.804 -0.925 1.00 0.00 H new ATOM 0 HA ARG B 597 6.698 5.095 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.615 6.352 -1.237 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.993 5.807 -2.860 1.00 0.00 H new ATOM 0 HG2 ARG B 597 7.435 7.540 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG B 597 7.063 8.086 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG B 597 9.896 8.032 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG B 597 8.868 9.451 -3.360 1.00 0.00 H new ATOM 0 HE ARG B 597 8.830 8.678 -0.646 1.00 0.00 H new ATOM 0 HH11 ARG B 597 11.219 9.339 -3.112 1.00 0.00 H new ATOM 0 HH12 ARG B 597 12.419 9.943 -1.965 1.00 0.00 H new ATOM 0 HH21 ARG B 597 10.365 9.451 0.823 1.00 0.00 H new ATOM 0 HH22 ARG B 597 11.940 10.006 0.245 1.00 0.00 H new ATOM 1008 N CYS B 598 8.319 3.400 -1.851 1.00 0.00 N ATOM 1009 CA CYS B 598 8.697 2.104 -1.212 1.00 0.00 C ATOM 1010 C CYS B 598 8.826 2.233 0.309 1.00 0.00 C ATOM 1011 O CYS B 598 7.848 2.245 1.030 1.00 0.00 O ATOM 1012 CB CYS B 598 10.037 1.643 -1.795 1.00 0.00 C ATOM 1013 SG CYS B 598 11.189 3.041 -1.823 1.00 0.00 S ATOM 0 H CYS B 598 8.943 3.698 -2.601 1.00 0.00 H new ATOM 0 HA CYS B 598 7.910 1.378 -1.418 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.447 0.830 -1.196 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.894 1.254 -2.803 1.00 0.00 H new ATOM 1018 N SER B 599 10.036 2.291 0.800 1.00 0.00 N ATOM 1019 CA SER B 599 10.259 2.375 2.273 1.00 0.00 C ATOM 1020 C SER B 599 9.288 3.368 2.908 1.00 0.00 C ATOM 1021 O SER B 599 9.071 3.362 4.112 1.00 0.00 O ATOM 1022 CB SER B 599 11.692 2.831 2.543 1.00 0.00 C ATOM 1023 OG SER B 599 11.788 3.312 3.878 1.00 0.00 O ATOM 0 H SER B 599 10.887 2.284 0.238 1.00 0.00 H new ATOM 0 HA SER B 599 10.091 1.390 2.709 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.384 2.003 2.392 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.975 3.615 1.840 1.00 0.00 H new ATOM 0 HG SER B 599 12.707 3.604 4.055 1.00 0.00 H new ATOM 1029 N GLU B 600 8.696 4.227 2.129 1.00 0.00 N ATOM 1030 CA GLU B 600 7.759 5.204 2.732 1.00 0.00 C ATOM 1031 C GLU B 600 6.732 4.428 3.548 1.00 0.00 C ATOM 1032 O GLU B 600 6.235 4.885 4.564 1.00 0.00 O ATOM 1033 CB GLU B 600 7.053 6.002 1.635 1.00 0.00 C ATOM 1034 CG GLU B 600 6.255 7.146 2.264 1.00 0.00 C ATOM 1035 CD GLU B 600 5.808 8.118 1.171 1.00 0.00 C ATOM 1036 OE1 GLU B 600 6.587 8.357 0.262 1.00 0.00 O ATOM 1037 OE2 GLU B 600 4.694 8.610 1.261 1.00 0.00 O ATOM 0 H GLU B 600 8.819 4.293 1.119 1.00 0.00 H new ATOM 0 HA GLU B 600 8.303 5.903 3.368 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.785 6.400 0.932 1.00 0.00 H new ATOM 0 HB3 GLU B 600 6.388 5.350 1.068 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.387 6.751 2.791 1.00 0.00 H new ATOM 0 HG3 GLU B 600 6.866 7.667 3.001 1.00 0.00 H new ATOM 1044 N ILE B 601 6.410 3.241 3.108 1.00 0.00 N ATOM 1045 CA ILE B 601 5.420 2.438 3.856 1.00 0.00 C ATOM 1046 C ILE B 601 6.082 1.992 5.163 1.00 0.00 C ATOM 1047 O ILE B 601 5.473 1.984 6.207 1.00 0.00 O ATOM 1048 CB ILE B 601 4.972 1.221 2.983 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.511 1.409 2.528 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.070 -0.108 3.751 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.451 2.488 1.446 1.00 0.00 C ATOM 0 H ILE B 601 6.790 2.802 2.269 1.00 0.00 H new ATOM 0 HA ILE B 601 4.525 3.016 4.088 1.00 0.00 H new ATOM 0 HB ILE B 601 5.644 1.180 2.126 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.115 0.470 2.143 1.00 0.00 H new ATOM 0 HG13 ILE B 601 2.888 1.694 3.376 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.749 -0.926 3.106 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.102 -0.274 4.061 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.429 -0.068 4.632 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.419 2.622 1.123 1.00 0.00 H new ATOM 0 HD12 ILE B 601 3.831 3.427 1.848 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.061 2.184 0.595 1.00 0.00 H new ATOM 1063 N TRP B 602 7.342 1.618 5.091 1.00 0.00 N ATOM 1064 CA TRP B 602 8.078 1.166 6.312 1.00 0.00 C ATOM 1065 C TRP B 602 7.711 2.076 7.477 1.00 0.00 C ATOM 1066 O TRP B 602 7.528 1.633 8.594 1.00 0.00 O ATOM 1067 CB TRP B 602 9.585 1.236 6.065 1.00 0.00 C ATOM 1068 CG TRP B 602 10.304 0.544 7.177 1.00 0.00 C ATOM 1069 CD1 TRP B 602 10.575 1.089 8.384 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.847 -0.808 7.206 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.250 0.159 9.153 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.442 -1.026 8.471 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.880 -1.854 6.266 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.049 -2.240 8.793 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.491 -3.077 6.588 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.074 -3.270 7.847 1.00 0.00 C ATOM 0 H TRP B 602 7.892 1.608 4.232 1.00 0.00 H new ATOM 0 HA TRP B 602 7.803 0.137 6.544 1.00 0.00 H new ATOM 0 HB2 TRP B 602 9.830 0.768 5.112 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.906 2.276 6.001 1.00 0.00 H new ATOM 0 HD1 TRP B 602 10.308 2.088 8.697 1.00 0.00 H new ATOM 0 HE1 TRP B 602 11.567 0.328 10.108 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.434 -1.716 5.292 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.496 -2.384 9.765 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.511 -3.874 5.860 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.542 -4.213 8.087 1.00 0.00 H new ATOM 1087 N ASP B 603 7.565 3.344 7.215 1.00 0.00 N ATOM 1088 CA ASP B 603 7.165 4.272 8.305 1.00 0.00 C ATOM 1089 C ASP B 603 5.703 3.982 8.660 1.00 0.00 C ATOM 1090 O ASP B 603 5.323 3.948 9.815 1.00 0.00 O ATOM 1091 CB ASP B 603 7.301 5.719 7.829 1.00 0.00 C ATOM 1092 CG ASP B 603 8.765 6.011 7.495 1.00 0.00 C ATOM 1093 OD1 ASP B 603 9.624 5.497 8.190 1.00 0.00 O ATOM 1094 OD2 ASP B 603 9.001 6.744 6.548 1.00 0.00 O ATOM 0 H ASP B 603 7.704 3.774 6.301 1.00 0.00 H new ATOM 0 HA ASP B 603 7.804 4.130 9.176 1.00 0.00 H new ATOM 0 HB2 ASP B 603 6.677 5.884 6.951 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.950 6.402 8.603 1.00 0.00 H new ATOM 1099 N ARG B 604 4.885 3.767 7.663 1.00 0.00 N ATOM 1100 CA ARG B 604 3.443 3.469 7.915 1.00 0.00 C ATOM 1101 C ARG B 604 3.298 2.240 8.824 1.00 0.00 C ATOM 1102 O ARG B 604 2.272 2.039 9.443 1.00 0.00 O ATOM 1103 CB ARG B 604 2.744 3.168 6.580 1.00 0.00 C ATOM 1104 CG ARG B 604 1.248 2.885 6.802 1.00 0.00 C ATOM 1105 CD ARG B 604 0.567 4.054 7.532 1.00 0.00 C ATOM 1106 NE ARG B 604 1.174 5.349 7.110 1.00 0.00 N ATOM 1107 CZ ARG B 604 0.549 6.469 7.348 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -0.610 6.455 7.949 1.00 0.00 N ATOM 1109 NH2 ARG B 604 1.081 7.603 6.986 1.00 0.00 N ATOM 0 H ARG B 604 5.155 3.785 6.680 1.00 0.00 H new ATOM 0 HA ARG B 604 2.991 4.335 8.399 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.863 4.014 5.903 1.00 0.00 H new ATOM 0 HB3 ARG B 604 3.215 2.309 6.103 1.00 0.00 H new ATOM 0 HG2 ARG B 604 0.760 2.718 5.842 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.130 1.971 7.383 1.00 0.00 H new ATOM 0 HD2 ARG B 604 -0.501 4.056 7.313 1.00 0.00 H new ATOM 0 HD3 ARG B 604 0.671 3.929 8.610 1.00 0.00 H new ATOM 0 HE ARG B 604 2.077 5.359 6.636 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -1.027 5.568 8.232 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.099 7.331 8.135 1.00 0.00 H new ATOM 0 HH21 ARG B 604 1.986 7.615 6.516 1.00 0.00 H new ATOM 0 HH22 ARG B 604 0.592 8.478 7.172 1.00 0.00 H new ATOM 1123 N ILE B 605 4.301 1.386 8.883 1.00 0.00 N ATOM 1124 CA ILE B 605 4.178 0.147 9.723 1.00 0.00 C ATOM 1125 C ILE B 605 4.641 0.420 11.159 1.00 0.00 C ATOM 1126 O ILE B 605 4.112 -0.121 12.109 1.00 0.00 O ATOM 1127 CB ILE B 605 5.040 -0.969 9.118 1.00 0.00 C ATOM 1128 CG1 ILE B 605 4.886 -0.952 7.593 1.00 0.00 C ATOM 1129 CG2 ILE B 605 4.592 -2.325 9.674 1.00 0.00 C ATOM 1130 CD1 ILE B 605 5.493 -2.219 6.980 1.00 0.00 C ATOM 0 H ILE B 605 5.188 1.493 8.391 1.00 0.00 H new ATOM 0 HA ILE B 605 3.132 -0.158 9.742 1.00 0.00 H new ATOM 0 HB ILE B 605 6.086 -0.809 9.379 1.00 0.00 H new ATOM 0 HG12 ILE B 605 3.831 -0.882 7.329 1.00 0.00 H new ATOM 0 HG13 ILE B 605 5.377 -0.070 7.181 1.00 0.00 H new ATOM 0 HG21 ILE B 605 5.206 -3.116 9.243 1.00 0.00 H new ATOM 0 HG22 ILE B 605 4.704 -2.329 10.758 1.00 0.00 H new ATOM 0 HG23 ILE B 605 3.547 -2.496 9.417 1.00 0.00 H new ATOM 0 HD11 ILE B 605 5.375 -2.191 5.897 1.00 0.00 H new ATOM 0 HD12 ILE B 605 6.553 -2.272 7.229 1.00 0.00 H new ATOM 0 HD13 ILE B 605 4.983 -3.096 7.378 1.00 0.00 H new ATOM 1142 N THR B 606 5.644 1.242 11.315 1.00 0.00 N ATOM 1143 CA THR B 606 6.169 1.541 12.679 1.00 0.00 C ATOM 1144 C THR B 606 5.067 2.147 13.547 1.00 0.00 C ATOM 1145 O THR B 606 4.962 1.854 14.721 1.00 0.00 O ATOM 1146 CB THR B 606 7.333 2.528 12.571 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.899 3.696 11.887 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.486 1.882 11.801 1.00 0.00 C ATOM 0 H THR B 606 6.124 1.721 10.553 1.00 0.00 H new ATOM 0 HA THR B 606 6.513 0.614 13.138 1.00 0.00 H new ATOM 0 HB THR B 606 7.675 2.797 13.571 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.080 3.497 11.386 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.314 2.587 11.726 1.00 0.00 H new ATOM 0 HG22 THR B 606 8.819 0.987 12.327 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.149 1.610 10.801 1.00 0.00 H new ATOM 1267 N ILE B 614 2.979 -11.032 11.733 1.00 0.00 N ATOM 1268 CA ILE B 614 2.848 -10.616 10.306 1.00 0.00 C ATOM 1269 C ILE B 614 3.995 -11.186 9.464 1.00 0.00 C ATOM 1270 O ILE B 614 5.015 -11.605 9.974 1.00 0.00 O ATOM 1271 CB ILE B 614 2.869 -9.088 10.219 1.00 0.00 C ATOM 1272 CG1 ILE B 614 1.693 -8.517 11.016 1.00 0.00 C ATOM 1273 CG2 ILE B 614 2.753 -8.653 8.755 1.00 0.00 C ATOM 1274 CD1 ILE B 614 1.871 -7.007 11.178 1.00 0.00 C ATOM 0 HA ILE B 614 1.905 -11.002 9.918 1.00 0.00 H new ATOM 0 HB ILE B 614 3.806 -8.715 10.633 1.00 0.00 H new ATOM 0 HG12 ILE B 614 0.755 -8.730 10.503 1.00 0.00 H new ATOM 0 HG13 ILE B 614 1.637 -8.994 11.994 1.00 0.00 H new ATOM 0 HG21 ILE B 614 2.768 -7.565 8.697 1.00 0.00 H new ATOM 0 HG22 ILE B 614 3.591 -9.059 8.187 1.00 0.00 H new ATOM 0 HG23 ILE B 614 1.818 -9.026 8.338 1.00 0.00 H new ATOM 0 HD11 ILE B 614 1.034 -6.601 11.745 1.00 0.00 H new ATOM 0 HD12 ILE B 614 2.801 -6.805 11.709 1.00 0.00 H new ATOM 0 HD13 ILE B 614 1.905 -6.537 10.195 1.00 0.00 H new ATOM 1286 N ASP B 615 3.827 -11.190 8.164 1.00 0.00 N ATOM 1287 CA ASP B 615 4.884 -11.704 7.244 1.00 0.00 C ATOM 1288 C ASP B 615 5.374 -10.536 6.394 1.00 0.00 C ATOM 1289 O ASP B 615 4.682 -10.064 5.514 1.00 0.00 O ATOM 1290 CB ASP B 615 4.290 -12.783 6.336 1.00 0.00 C ATOM 1291 CG ASP B 615 3.830 -13.969 7.184 1.00 0.00 C ATOM 1292 OD1 ASP B 615 3.147 -13.739 8.168 1.00 0.00 O ATOM 1293 OD2 ASP B 615 4.169 -15.089 6.835 1.00 0.00 O ATOM 0 H ASP B 615 2.986 -10.852 7.696 1.00 0.00 H new ATOM 0 HA ASP B 615 5.708 -12.135 7.812 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.449 -12.377 5.774 1.00 0.00 H new ATOM 0 HB3 ASP B 615 5.033 -13.110 5.608 1.00 0.00 H new ATOM 1298 N VAL B 616 6.558 -10.061 6.649 1.00 0.00 N ATOM 1299 CA VAL B 616 7.080 -8.918 5.853 1.00 0.00 C ATOM 1300 C VAL B 616 7.498 -9.429 4.471 1.00 0.00 C ATOM 1301 O VAL B 616 7.641 -8.673 3.529 1.00 0.00 O ATOM 1302 CB VAL B 616 8.274 -8.287 6.591 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.536 -9.138 6.396 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.520 -6.871 6.054 1.00 0.00 C ATOM 0 H VAL B 616 7.186 -10.413 7.372 1.00 0.00 H new ATOM 0 HA VAL B 616 6.311 -8.155 5.729 1.00 0.00 H new ATOM 0 HB VAL B 616 8.044 -8.241 7.655 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.371 -8.677 6.924 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.364 -10.139 6.791 1.00 0.00 H new ATOM 0 HG13 VAL B 616 9.771 -9.203 5.334 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.366 -6.425 6.577 1.00 0.00 H new ATOM 0 HG22 VAL B 616 8.738 -6.919 4.987 1.00 0.00 H new ATOM 0 HG23 VAL B 616 7.631 -6.261 6.215 1.00 0.00 H new ATOM 1314 N ASP B 617 7.695 -10.714 4.349 1.00 0.00 N ATOM 1315 CA ASP B 617 8.109 -11.286 3.036 1.00 0.00 C ATOM 1316 C ASP B 617 6.885 -11.456 2.135 1.00 0.00 C ATOM 1317 O ASP B 617 6.944 -11.224 0.944 1.00 0.00 O ATOM 1318 CB ASP B 617 8.768 -12.649 3.262 1.00 0.00 C ATOM 1319 CG ASP B 617 9.270 -13.201 1.927 1.00 0.00 C ATOM 1320 OD1 ASP B 617 10.125 -12.567 1.330 1.00 0.00 O ATOM 1321 OD2 ASP B 617 8.792 -14.248 1.524 1.00 0.00 O ATOM 0 H ASP B 617 7.587 -11.393 5.103 1.00 0.00 H new ATOM 0 HA ASP B 617 8.817 -10.610 2.556 1.00 0.00 H new ATOM 0 HB2 ASP B 617 9.598 -12.552 3.962 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.053 -13.341 3.708 1.00 0.00 H new ATOM 1326 N GLY B 618 5.776 -11.855 2.689 1.00 0.00 N ATOM 1327 CA GLY B 618 4.556 -12.031 1.853 1.00 0.00 C ATOM 1328 C GLY B 618 4.051 -10.661 1.408 1.00 0.00 C ATOM 1329 O GLY B 618 3.656 -10.475 0.275 1.00 0.00 O ATOM 0 H GLY B 618 5.661 -12.066 3.680 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.782 -12.648 0.984 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.783 -12.550 2.420 1.00 0.00 H new ATOM 1333 N LEU B 619 4.071 -9.694 2.285 1.00 0.00 N ATOM 1334 CA LEU B 619 3.599 -8.343 1.885 1.00 0.00 C ATOM 1335 C LEU B 619 4.600 -7.769 0.880 1.00 0.00 C ATOM 1336 O LEU B 619 4.286 -6.895 0.097 1.00 0.00 O ATOM 1337 CB LEU B 619 3.456 -7.441 3.135 1.00 0.00 C ATOM 1338 CG LEU B 619 4.780 -6.697 3.464 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.999 -5.490 2.506 1.00 0.00 C ATOM 1340 CD2 LEU B 619 4.739 -6.195 4.921 1.00 0.00 C ATOM 0 H LEU B 619 4.390 -9.781 3.250 1.00 0.00 H new ATOM 0 HA LEU B 619 2.617 -8.397 1.416 1.00 0.00 H new ATOM 0 HB2 LEU B 619 2.662 -6.713 2.969 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.158 -8.049 3.990 1.00 0.00 H new ATOM 0 HG LEU B 619 5.607 -7.395 3.332 1.00 0.00 H new ATOM 0 HD11 LEU B 619 5.933 -4.989 2.760 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.047 -5.846 1.477 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.171 -4.789 2.609 1.00 0.00 H new ATOM 0 HD21 LEU B 619 5.668 -5.673 5.152 1.00 0.00 H new ATOM 0 HD22 LEU B 619 3.898 -5.513 5.047 1.00 0.00 H new ATOM 0 HD23 LEU B 619 4.622 -7.044 5.595 1.00 0.00 H new ATOM 1352 N CYS B 620 5.813 -8.260 0.904 1.00 0.00 N ATOM 1353 CA CYS B 620 6.846 -7.752 -0.038 1.00 0.00 C ATOM 1354 C CYS B 620 6.518 -8.191 -1.469 1.00 0.00 C ATOM 1355 O CYS B 620 6.520 -7.389 -2.377 1.00 0.00 O ATOM 1356 CB CYS B 620 8.216 -8.306 0.360 1.00 0.00 C ATOM 1357 SG CYS B 620 9.490 -7.576 -0.698 1.00 0.00 S ATOM 0 H CYS B 620 6.130 -8.993 1.539 1.00 0.00 H new ATOM 0 HA CYS B 620 6.861 -6.663 0.007 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.422 -8.079 1.406 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.224 -9.392 0.262 1.00 0.00 H new ATOM 0 HG CYS B 620 10.655 -8.044 -0.360 1.00 0.00 H new ATOM 1363 N SER B 621 6.233 -9.452 -1.685 1.00 0.00 N ATOM 1364 CA SER B 621 5.910 -9.911 -3.073 1.00 0.00 C ATOM 1365 C SER B 621 4.462 -9.546 -3.411 1.00 0.00 C ATOM 1366 O SER B 621 4.015 -9.699 -4.530 1.00 0.00 O ATOM 1367 CB SER B 621 6.120 -11.420 -3.194 1.00 0.00 C ATOM 1368 OG SER B 621 5.654 -11.858 -4.462 1.00 0.00 O ATOM 0 H SER B 621 6.210 -10.177 -0.968 1.00 0.00 H new ATOM 0 HA SER B 621 6.576 -9.414 -3.778 1.00 0.00 H new ATOM 0 HB2 SER B 621 7.176 -11.662 -3.078 1.00 0.00 H new ATOM 0 HB3 SER B 621 5.585 -11.938 -2.398 1.00 0.00 H new ATOM 0 HG SER B 621 5.015 -11.206 -4.819 1.00 0.00 H new ATOM 1374 N GLU B 622 3.746 -9.020 -2.463 1.00 0.00 N ATOM 1375 CA GLU B 622 2.341 -8.582 -2.712 1.00 0.00 C ATOM 1376 C GLU B 622 2.333 -7.062 -2.884 1.00 0.00 C ATOM 1377 O GLU B 622 1.562 -6.525 -3.654 1.00 0.00 O ATOM 1378 CB GLU B 622 1.456 -8.968 -1.523 1.00 0.00 C ATOM 1379 CG GLU B 622 -0.019 -8.833 -1.912 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.395 -9.943 -2.897 1.00 0.00 C ATOM 1381 OE1 GLU B 622 0.402 -10.849 -3.070 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -1.474 -9.865 -3.461 1.00 0.00 O ATOM 0 H GLU B 622 4.076 -8.871 -1.510 1.00 0.00 H new ATOM 0 HA GLU B 622 1.954 -9.066 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU B 622 1.669 -9.992 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU B 622 1.677 -8.327 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU B 622 -0.647 -8.894 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU B 622 -0.199 -7.857 -2.363 1.00 0.00 H new ATOM 1389 N LEU B 623 3.185 -6.360 -2.187 1.00 0.00 N ATOM 1390 CA LEU B 623 3.226 -4.872 -2.328 1.00 0.00 C ATOM 1391 C LEU B 623 4.208 -4.488 -3.446 1.00 0.00 C ATOM 1392 O LEU B 623 4.090 -3.451 -4.066 1.00 0.00 O ATOM 1393 CB LEU B 623 3.695 -4.267 -0.989 1.00 0.00 C ATOM 1394 CG LEU B 623 3.390 -2.741 -0.914 1.00 0.00 C ATOM 1395 CD1 LEU B 623 3.012 -2.351 0.522 1.00 0.00 C ATOM 1396 CD2 LEU B 623 4.626 -1.928 -1.326 1.00 0.00 C ATOM 0 H LEU B 623 3.856 -6.751 -1.525 1.00 0.00 H new ATOM 0 HA LEU B 623 2.237 -4.491 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU B 623 3.200 -4.779 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.766 -4.431 -0.869 1.00 0.00 H new ATOM 0 HG LEU B 623 2.564 -2.526 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU B 623 2.800 -1.283 0.565 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.127 -2.909 0.830 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.839 -2.584 1.192 1.00 0.00 H new ATOM 0 HD21 LEU B 623 4.397 -0.864 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU B 623 5.453 -2.158 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.906 -2.184 -2.348 1.00 0.00 H new ATOM 1408 N MET B 624 5.209 -5.304 -3.664 1.00 0.00 N ATOM 1409 CA MET B 624 6.252 -4.986 -4.690 1.00 0.00 C ATOM 1410 C MET B 624 5.792 -5.256 -6.129 1.00 0.00 C ATOM 1411 O MET B 624 6.238 -4.587 -7.039 1.00 0.00 O ATOM 1412 CB MET B 624 7.500 -5.829 -4.406 1.00 0.00 C ATOM 1413 CG MET B 624 8.608 -5.489 -5.409 1.00 0.00 C ATOM 1414 SD MET B 624 8.410 -6.513 -6.894 1.00 0.00 S ATOM 1415 CE MET B 624 10.165 -6.818 -7.215 1.00 0.00 C ATOM 0 H MET B 624 5.350 -6.186 -3.171 1.00 0.00 H new ATOM 0 HA MET B 624 6.459 -3.919 -4.614 1.00 0.00 H new ATOM 0 HB2 MET B 624 7.849 -5.644 -3.390 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.254 -6.889 -4.470 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.563 -4.433 -5.673 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.586 -5.664 -4.961 1.00 0.00 H new ATOM 0 HE1 MET B 624 10.267 -7.539 -8.026 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.651 -5.884 -7.497 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.636 -7.214 -6.315 1.00 0.00 H new ATOM 1425 N ALA B 625 4.919 -6.206 -6.368 1.00 0.00 N ATOM 1426 CA ALA B 625 4.473 -6.463 -7.784 1.00 0.00 C ATOM 1427 C ALA B 625 3.166 -5.724 -8.052 1.00 0.00 C ATOM 1428 O ALA B 625 2.701 -5.671 -9.174 1.00 0.00 O ATOM 1429 CB ALA B 625 4.329 -7.961 -8.061 1.00 0.00 C ATOM 0 H ALA B 625 4.499 -6.808 -5.660 1.00 0.00 H new ATOM 0 HA ALA B 625 5.237 -6.085 -8.464 1.00 0.00 H new ATOM 0 HB1 ALA B 625 4.006 -8.111 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA B 625 5.289 -8.454 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.589 -8.387 -7.383 1.00 0.00 H new ATOM 1435 N LYS B 626 2.610 -5.078 -7.068 1.00 0.00 N ATOM 1436 CA LYS B 626 1.387 -4.262 -7.322 1.00 0.00 C ATOM 1437 C LYS B 626 1.884 -2.847 -7.639 1.00 0.00 C ATOM 1438 O LYS B 626 1.128 -1.941 -7.927 1.00 0.00 O ATOM 1439 CB LYS B 626 0.491 -4.243 -6.076 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.925 -3.759 -6.455 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.779 -4.938 -6.966 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.443 -5.660 -5.788 1.00 0.00 C ATOM 1443 NZ LYS B 626 -2.939 -6.989 -6.241 1.00 0.00 N ATOM 0 H LYS B 626 2.944 -5.077 -6.104 1.00 0.00 H new ATOM 0 HA LYS B 626 0.796 -4.672 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS B 626 0.439 -5.240 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.919 -3.586 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -1.404 -3.304 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.859 -2.989 -7.224 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -2.541 -4.573 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.153 -5.635 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.729 -5.784 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -3.269 -5.064 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -3.390 -7.481 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -3.633 -6.859 -7.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -2.141 -7.556 -6.591 1.00 0.00 H new ATOM 1457 N ALA B 627 3.181 -2.678 -7.560 1.00 0.00 N ATOM 1458 CA ALA B 627 3.829 -1.357 -7.818 1.00 0.00 C ATOM 1459 C ALA B 627 3.408 -0.772 -9.170 1.00 0.00 C ATOM 1460 O ALA B 627 3.176 -1.479 -10.129 1.00 0.00 O ATOM 1461 CB ALA B 627 5.350 -1.552 -7.803 1.00 0.00 C ATOM 0 H ALA B 627 3.835 -3.423 -7.320 1.00 0.00 H new ATOM 0 HA ALA B 627 3.515 -0.659 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.841 -0.597 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.658 -1.934 -6.830 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.633 -2.264 -8.579 1.00 0.00 H new ATOM 1467 N LYS B 628 3.342 0.537 -9.241 1.00 0.00 N ATOM 1468 CA LYS B 628 2.975 1.236 -10.512 1.00 0.00 C ATOM 1469 C LYS B 628 4.124 2.180 -10.877 1.00 0.00 C ATOM 1470 O LYS B 628 4.158 3.324 -10.466 1.00 0.00 O ATOM 1471 CB LYS B 628 1.694 2.045 -10.298 1.00 0.00 C ATOM 1472 CG LYS B 628 0.617 1.145 -9.689 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.648 1.967 -9.430 1.00 0.00 C ATOM 1474 CE LYS B 628 -1.797 1.029 -9.052 1.00 0.00 C ATOM 1475 NZ LYS B 628 -3.046 1.822 -8.872 1.00 0.00 N ATOM 0 H LYS B 628 3.531 1.160 -8.456 1.00 0.00 H new ATOM 0 HA LYS B 628 2.806 0.514 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS B 628 1.891 2.891 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.347 2.454 -11.247 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.395 0.318 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.977 0.708 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.471 2.684 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS B 628 -0.910 2.541 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -1.939 0.278 -9.830 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.557 0.494 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -3.827 1.186 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -2.907 2.522 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -3.277 2.313 -9.760 1.00 0.00 H new ATOM 1489 N CYS B 629 5.086 1.689 -11.610 1.00 0.00 N ATOM 1490 CA CYS B 629 6.266 2.526 -11.975 1.00 0.00 C ATOM 1491 C CYS B 629 5.843 3.864 -12.591 1.00 0.00 C ATOM 1492 O CYS B 629 4.958 3.945 -13.421 1.00 0.00 O ATOM 1493 CB CYS B 629 7.147 1.767 -12.969 1.00 0.00 C ATOM 1494 SG CYS B 629 8.419 2.880 -13.621 1.00 0.00 S ATOM 0 H CYS B 629 5.106 0.737 -11.975 1.00 0.00 H new ATOM 0 HA CYS B 629 6.822 2.734 -11.061 1.00 0.00 H new ATOM 0 HB2 CYS B 629 7.613 0.912 -12.479 1.00 0.00 H new ATOM 0 HB3 CYS B 629 6.539 1.375 -13.784 1.00 0.00 H new ATOM 1499 N SER B 630 6.521 4.908 -12.188 1.00 0.00 N ATOM 1500 CA SER B 630 6.253 6.277 -12.721 1.00 0.00 C ATOM 1501 C SER B 630 7.602 6.992 -12.856 1.00 0.00 C ATOM 1502 O SER B 630 8.585 6.565 -12.284 1.00 0.00 O ATOM 1503 CB SER B 630 5.343 7.044 -11.755 1.00 0.00 C ATOM 1504 OG SER B 630 4.716 8.113 -12.452 1.00 0.00 O ATOM 0 H SER B 630 7.268 4.867 -11.494 1.00 0.00 H new ATOM 0 HA SER B 630 5.752 6.223 -13.688 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.590 6.375 -11.337 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.925 7.431 -10.918 1.00 0.00 H new ATOM 0 HG SER B 630 4.132 8.605 -11.838 1.00 0.00 H new ATOM 1510 N GLU B 631 7.683 8.057 -13.605 1.00 0.00 N ATOM 1511 CA GLU B 631 8.998 8.745 -13.751 1.00 0.00 C ATOM 1512 C GLU B 631 9.414 9.369 -12.415 1.00 0.00 C ATOM 1513 O GLU B 631 10.583 9.439 -12.096 1.00 0.00 O ATOM 1514 CB GLU B 631 8.903 9.830 -14.826 1.00 0.00 C ATOM 1515 CG GLU B 631 8.356 9.225 -16.122 1.00 0.00 C ATOM 1516 CD GLU B 631 8.067 10.342 -17.126 1.00 0.00 C ATOM 1517 OE1 GLU B 631 7.291 11.224 -16.795 1.00 0.00 O ATOM 1518 OE2 GLU B 631 8.627 10.298 -18.210 1.00 0.00 O ATOM 0 H GLU B 631 6.907 8.477 -14.117 1.00 0.00 H new ATOM 0 HA GLU B 631 9.749 8.014 -14.050 1.00 0.00 H new ATOM 0 HB2 GLU B 631 8.252 10.636 -14.487 1.00 0.00 H new ATOM 0 HB3 GLU B 631 9.886 10.267 -15.004 1.00 0.00 H new ATOM 0 HG2 GLU B 631 9.077 8.523 -16.541 1.00 0.00 H new ATOM 0 HG3 GLU B 631 7.446 8.662 -15.917 1.00 0.00 H new ATOM 1525 N ARG B 632 8.478 9.809 -11.619 1.00 0.00 N ATOM 1526 CA ARG B 632 8.857 10.404 -10.305 1.00 0.00 C ATOM 1527 C ARG B 632 9.315 9.277 -9.375 1.00 0.00 C ATOM 1528 O ARG B 632 9.940 9.503 -8.357 1.00 0.00 O ATOM 1529 CB ARG B 632 7.645 11.115 -9.696 1.00 0.00 C ATOM 1530 CG ARG B 632 7.086 12.125 -10.701 1.00 0.00 C ATOM 1531 CD ARG B 632 5.938 12.907 -10.059 1.00 0.00 C ATOM 1532 NE ARG B 632 4.866 11.962 -9.639 1.00 0.00 N ATOM 1533 CZ ARG B 632 3.931 12.358 -8.818 1.00 0.00 C ATOM 1534 NH1 ARG B 632 3.935 13.583 -8.369 1.00 0.00 N ATOM 1535 NH2 ARG B 632 2.992 11.531 -8.448 1.00 0.00 N ATOM 0 H ARG B 632 7.478 9.783 -11.818 1.00 0.00 H new ATOM 0 HA ARG B 632 9.662 11.127 -10.439 1.00 0.00 H new ATOM 0 HB2 ARG B 632 6.878 10.387 -9.432 1.00 0.00 H new ATOM 0 HB3 ARG B 632 7.933 11.623 -8.776 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.872 12.810 -11.019 1.00 0.00 H new ATOM 0 HG3 ARG B 632 6.733 11.608 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG B 632 6.302 13.466 -9.197 1.00 0.00 H new ATOM 0 HD3 ARG B 632 5.539 13.635 -10.766 1.00 0.00 H new ATOM 0 HE ARG B 632 4.862 11.005 -9.993 1.00 0.00 H new ATOM 0 HH11 ARG B 632 4.668 14.230 -8.659 1.00 0.00 H new ATOM 0 HH12 ARG B 632 3.205 13.893 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG B 632 2.988 10.574 -8.800 1.00 0.00 H new ATOM 0 HH22 ARG B 632 2.262 11.842 -7.807 1.00 0.00 H new ATOM 1549 N GLY B 633 8.996 8.060 -9.730 1.00 0.00 N ATOM 1550 CA GLY B 633 9.387 6.880 -8.896 1.00 0.00 C ATOM 1551 C GLY B 633 8.181 5.951 -8.772 1.00 0.00 C ATOM 1552 O GLY B 633 7.140 6.203 -9.345 1.00 0.00 O ATOM 0 H GLY B 633 8.473 7.828 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.225 6.354 -9.354 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.716 7.206 -7.910 1.00 0.00 H new ATOM 1556 N VAL B 634 8.291 4.880 -8.035 1.00 0.00 N ATOM 1557 CA VAL B 634 7.137 3.954 -7.889 1.00 0.00 C ATOM 1558 C VAL B 634 6.102 4.563 -6.944 1.00 0.00 C ATOM 1559 O VAL B 634 6.447 5.159 -5.943 1.00 0.00 O ATOM 1560 CB VAL B 634 7.643 2.643 -7.279 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.296 2.925 -5.924 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.471 1.679 -7.083 1.00 0.00 C ATOM 0 H VAL B 634 9.133 4.607 -7.527 1.00 0.00 H new ATOM 0 HA VAL B 634 6.682 3.778 -8.864 1.00 0.00 H new ATOM 0 HB VAL B 634 8.375 2.195 -7.951 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.655 1.991 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.134 3.608 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.564 3.377 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.835 0.748 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.738 2.129 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL B 634 6.005 1.473 -8.046 1.00 0.00 H new ATOM 1572 N VAL B 635 4.835 4.406 -7.238 1.00 0.00 N ATOM 1573 CA VAL B 635 3.774 4.961 -6.337 1.00 0.00 C ATOM 1574 C VAL B 635 2.678 3.908 -6.168 1.00 0.00 C ATOM 1575 O VAL B 635 2.325 3.211 -7.098 1.00 0.00 O ATOM 1576 CB VAL B 635 3.185 6.233 -6.948 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.208 7.367 -6.851 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.840 5.980 -8.418 1.00 0.00 C ATOM 0 H VAL B 635 4.488 3.917 -8.063 1.00 0.00 H new ATOM 0 HA VAL B 635 4.203 5.209 -5.366 1.00 0.00 H new ATOM 0 HB VAL B 635 2.282 6.512 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.788 8.274 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.453 7.547 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.112 7.089 -7.393 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.420 6.886 -8.854 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.743 5.701 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL B 635 2.111 5.173 -8.487 1.00 0.00 H new ATOM 1588 N ILE B 636 2.152 3.777 -4.975 1.00 0.00 N ATOM 1589 CA ILE B 636 1.089 2.755 -4.716 1.00 0.00 C ATOM 1590 C ILE B 636 -0.021 3.382 -3.867 1.00 0.00 C ATOM 1591 O ILE B 636 0.206 4.308 -3.117 1.00 0.00 O ATOM 1592 CB ILE B 636 1.718 1.575 -3.959 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.606 0.777 -4.915 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.628 0.652 -3.404 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.509 -0.158 -4.109 1.00 0.00 C ATOM 0 H ILE B 636 2.415 4.337 -4.164 1.00 0.00 H new ATOM 0 HA ILE B 636 0.664 2.406 -5.657 1.00 0.00 H new ATOM 0 HB ILE B 636 2.310 1.965 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE B 636 1.990 0.200 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.211 1.454 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.091 -0.178 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.009 1.212 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.026 0.265 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.143 -0.728 -4.789 1.00 0.00 H new ATOM 0 HD12 ILE B 636 4.134 0.430 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.895 -0.844 -3.526 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.221 2.877 -3.978 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.344 3.438 -3.172 1.00 0.00 C ATOM 1609 C ASN B 637 -2.329 2.801 -1.781 1.00 0.00 C ATOM 1610 O ASN B 637 -2.109 1.615 -1.631 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.676 3.135 -3.864 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.671 3.739 -5.270 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -2.684 4.306 -5.697 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -4.740 3.642 -6.012 1.00 0.00 N ATOM 0 H ASN B 637 -1.472 2.101 -4.591 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.227 4.518 -3.081 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.832 2.058 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.501 3.546 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -4.748 4.042 -6.950 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -5.568 3.166 -5.654 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.553 3.584 -0.763 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.540 3.033 0.622 1.00 0.00 C ATOM 1623 C ALA B 638 -3.618 1.953 0.774 1.00 0.00 C ATOM 1624 O ALA B 638 -3.658 1.243 1.758 1.00 0.00 O ATOM 1625 CB ALA B 638 -2.797 4.152 1.629 1.00 0.00 C ATOM 0 H ALA B 638 -2.745 4.584 -0.830 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.562 2.591 0.812 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -2.786 3.742 2.639 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.019 4.910 1.537 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -3.769 4.603 1.431 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.497 1.818 -0.179 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.555 0.773 -0.056 1.00 0.00 C ATOM 1633 C GLU B 639 -4.972 -0.593 -0.430 1.00 0.00 C ATOM 1634 O GLU B 639 -5.490 -1.616 -0.030 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.741 1.109 -0.962 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.333 2.458 -0.550 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.515 2.795 -1.461 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.419 2.527 -2.647 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.496 3.315 -0.956 1.00 0.00 O ATOM 0 H GLU B 639 -4.531 2.379 -1.030 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.908 0.742 0.975 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.419 1.144 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -7.500 0.330 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.660 2.422 0.489 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -6.574 3.237 -0.618 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.886 -0.637 -1.155 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.283 -1.965 -1.490 1.00 0.00 C ATOM 1648 C ASP B 640 -2.362 -2.380 -0.337 1.00 0.00 C ATOM 1649 O ASP B 640 -2.264 -3.542 0.002 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.491 -1.878 -2.797 1.00 0.00 C ATOM 1651 CG ASP B 640 -1.725 -3.185 -3.015 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -2.348 -4.152 -3.421 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -0.529 -3.196 -2.771 1.00 0.00 O ATOM 0 H ASP B 640 -3.394 0.176 -1.527 1.00 0.00 H new ATOM 0 HA ASP B 640 -4.070 -2.707 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -3.166 -1.696 -3.633 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.797 -1.039 -2.759 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.713 -1.437 0.286 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.827 -1.770 1.439 1.00 0.00 C ATOM 1660 C VAL B 641 -1.702 -1.979 2.681 1.00 0.00 C ATOM 1661 O VAL B 641 -1.408 -2.799 3.529 1.00 0.00 O ATOM 1662 CB VAL B 641 0.184 -0.629 1.659 1.00 0.00 C ATOM 1663 CG1 VAL B 641 0.648 -0.103 0.299 1.00 0.00 C ATOM 1664 CG2 VAL B 641 -0.451 0.519 2.458 1.00 0.00 C ATOM 0 H VAL B 641 -1.757 -0.446 0.047 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.266 -2.683 1.241 1.00 0.00 H new ATOM 0 HB VAL B 641 1.032 -1.016 2.224 1.00 0.00 H new ATOM 0 HG11 VAL B 641 1.364 0.705 0.447 1.00 0.00 H new ATOM 0 HG12 VAL B 641 1.121 -0.910 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -0.211 0.270 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL B 641 0.283 1.313 2.600 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -1.309 0.912 1.912 1.00 0.00 H new ATOM 0 HG23 VAL B 641 -0.778 0.149 3.430 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.784 -1.260 2.782 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.685 -1.438 3.958 1.00 0.00 C ATOM 1676 C GLN B 642 -4.291 -2.844 3.906 1.00 0.00 C ATOM 1677 O GLN B 642 -4.452 -3.500 4.916 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.800 -0.392 3.920 1.00 0.00 C ATOM 1679 CG GLN B 642 -5.688 -0.548 5.157 1.00 0.00 C ATOM 1680 CD GLN B 642 -6.652 0.636 5.245 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -6.269 1.719 5.642 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -7.897 0.475 4.886 1.00 0.00 N ATOM 0 H GLN B 642 -3.084 -0.559 2.105 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.118 -1.313 4.880 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.372 0.610 3.890 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.395 -0.512 3.015 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -6.247 -1.482 5.101 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.073 -0.598 6.056 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -8.218 -0.434 4.553 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -8.548 1.258 4.939 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.605 -3.316 2.730 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.177 -4.688 2.593 1.00 0.00 C ATOM 1693 C LEU B 643 -4.035 -5.708 2.538 1.00 0.00 C ATOM 1694 O LEU B 643 -4.224 -6.862 2.861 1.00 0.00 O ATOM 1695 CB LEU B 643 -6.026 -4.784 1.318 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.114 -3.703 1.330 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.700 -3.554 -0.075 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -8.235 -4.092 2.303 1.00 0.00 C ATOM 0 H LEU B 643 -4.490 -2.808 1.853 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.814 -4.899 3.451 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.392 -4.664 0.439 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -6.483 -5.771 1.249 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.671 -2.760 1.650 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.473 -2.786 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.911 -3.267 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -8.134 -4.503 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -9.002 -3.317 2.303 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.676 -5.039 1.991 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.825 -4.197 3.307 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.847 -5.305 2.181 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.719 -6.285 2.174 1.00 0.00 C ATOM 1712 C ALA B 644 -1.154 -6.360 3.593 1.00 0.00 C ATOM 1713 O ALA B 644 -0.576 -7.350 3.994 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.628 -5.842 1.195 1.00 0.00 C ATOM 0 H ALA B 644 -2.608 -4.355 1.897 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.076 -7.264 1.854 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.185 -6.568 1.204 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -1.045 -5.777 0.190 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.246 -4.866 1.493 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.340 -5.322 4.363 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.844 -5.324 5.771 1.00 0.00 C ATOM 1722 C LEU B 645 -1.925 -5.905 6.686 1.00 0.00 C ATOM 1723 O LEU B 645 -1.639 -6.420 7.748 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.536 -3.888 6.210 1.00 0.00 C ATOM 1725 CG LEU B 645 0.683 -3.341 5.441 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.663 -1.810 5.469 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.983 -3.829 6.096 1.00 0.00 C ATOM 0 H LEU B 645 -1.817 -4.467 4.076 1.00 0.00 H new ATOM 0 HA LEU B 645 0.061 -5.928 5.835 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.403 -3.252 6.030 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.339 -3.863 7.282 1.00 0.00 H new ATOM 0 HG LEU B 645 0.636 -3.698 4.412 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.525 -1.425 4.925 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.253 -1.449 5.000 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.702 -1.464 6.502 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.838 -3.437 5.545 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.025 -3.479 7.127 1.00 0.00 H new ATOM 0 HD23 LEU B 645 2.011 -4.919 6.082 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.166 -5.820 6.286 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.271 -6.360 7.133 1.00 0.00 C ATOM 1741 C ASN B 646 -4.547 -7.817 6.759 1.00 0.00 C ATOM 1742 O ASN B 646 -5.182 -8.545 7.497 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.537 -5.532 6.896 1.00 0.00 C ATOM 1744 CG ASN B 646 -5.401 -4.175 7.590 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -5.578 -3.144 6.972 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -5.091 -4.133 8.856 1.00 0.00 N ATOM 0 H ASN B 646 -3.463 -5.398 5.406 1.00 0.00 H new ATOM 0 HA ASN B 646 -3.981 -6.305 8.182 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.696 -5.391 5.827 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.408 -6.063 7.281 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -4.997 -3.234 9.328 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -4.943 -4.999 9.374 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.083 -8.251 5.617 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.329 -9.662 5.194 1.00 0.00 C ATOM 1755 C LYS B 647 -3.173 -10.550 5.655 1.00 0.00 C ATOM 1756 O LYS B 647 -2.274 -10.113 6.347 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.446 -9.727 3.667 1.00 0.00 C ATOM 1758 CG LYS B 647 -5.819 -9.205 3.238 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.888 -9.136 1.711 1.00 0.00 C ATOM 1760 CE LYS B 647 -7.305 -8.750 1.281 1.00 0.00 C ATOM 1761 NZ LYS B 647 -7.366 -8.659 -0.205 1.00 0.00 N ATOM 0 H LYS B 647 -3.544 -7.689 4.958 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.256 -10.015 5.646 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -3.658 -9.132 3.206 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -4.312 -10.753 3.325 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -6.603 -9.860 3.618 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.993 -8.217 3.665 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -5.171 -8.405 1.337 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -5.616 -10.099 1.280 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -8.020 -9.490 1.640 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -7.584 -7.795 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -8.329 -8.397 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -6.695 -7.937 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -7.117 -9.580 -0.620 1.00 0.00 H new ATOM 1775 N HIS B 648 -3.201 -11.800 5.272 1.00 0.00 N ATOM 1776 CA HIS B 648 -2.119 -12.745 5.679 1.00 0.00 C ATOM 1777 C HIS B 648 -1.801 -12.534 7.165 1.00 0.00 C ATOM 1778 O HIS B 648 -0.735 -12.875 7.641 1.00 0.00 O ATOM 1779 CB HIS B 648 -0.862 -12.475 4.840 1.00 0.00 C ATOM 1780 CG HIS B 648 -1.257 -12.178 3.420 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -2.223 -12.914 2.752 1.00 0.00 N ATOM 1782 CD2 HIS B 648 -0.825 -11.227 2.529 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -2.339 -12.399 1.514 1.00 0.00 C ATOM 1784 NE2 HIS B 648 -1.510 -11.368 1.325 1.00 0.00 N ATOM 0 H HIS B 648 -3.932 -12.209 4.691 1.00 0.00 H new ATOM 0 HA HIS B 648 -2.446 -13.772 5.517 1.00 0.00 H new ATOM 0 HB2 HIS B 648 -0.308 -11.634 5.257 1.00 0.00 H new ATOM 0 HB3 HIS B 648 -0.200 -13.340 4.870 1.00 0.00 H new ATOM 0 HD2 HIS B 648 -0.069 -10.483 2.731 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -3.020 -12.774 0.764 1.00 0.00 H new ATOM 0 HE2 HIS B 648 -1.402 -10.806 0.481 1.00 0.00 H new ATOM 1792 N MET B 649 -2.722 -11.956 7.893 1.00 0.00 N ATOM 1793 CA MET B 649 -2.495 -11.696 9.345 1.00 0.00 C ATOM 1794 C MET B 649 -3.089 -12.839 10.171 1.00 0.00 C ATOM 1795 O MET B 649 -4.146 -13.355 9.866 1.00 0.00 O ATOM 1796 CB MET B 649 -3.179 -10.375 9.723 1.00 0.00 C ATOM 1797 CG MET B 649 -2.608 -9.851 11.043 1.00 0.00 C ATOM 1798 SD MET B 649 -3.340 -8.237 11.418 1.00 0.00 S ATOM 1799 CE MET B 649 -2.056 -7.215 10.651 1.00 0.00 C ATOM 0 H MET B 649 -3.629 -11.651 7.540 1.00 0.00 H new ATOM 0 HA MET B 649 -1.426 -11.630 9.548 1.00 0.00 H new ATOM 0 HB2 MET B 649 -3.028 -9.639 8.934 1.00 0.00 H new ATOM 0 HB3 MET B 649 -4.254 -10.526 9.817 1.00 0.00 H new ATOM 0 HG2 MET B 649 -2.820 -10.554 11.848 1.00 0.00 H new ATOM 0 HG3 MET B 649 -1.524 -9.763 10.973 1.00 0.00 H new ATOM 0 HE1 MET B 649 -2.516 -6.348 10.177 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.353 -6.881 11.414 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.526 -7.800 9.900 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.416 -13.237 11.216 1.00 0.00 N ATOM 1810 CA ASN B 650 -2.939 -14.346 12.062 1.00 0.00 C ATOM 1811 C ASN B 650 -2.135 -14.416 13.362 1.00 0.00 C ATOM 1812 O ASN B 650 -2.693 -14.848 14.357 1.00 0.00 O ATOM 1813 CB ASN B 650 -2.805 -15.671 11.308 1.00 0.00 C ATOM 1814 CG ASN B 650 -3.332 -16.811 12.181 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -4.497 -16.841 12.524 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -2.516 -17.758 12.558 1.00 0.00 N ATOM 1817 OXT ASN B 650 -0.976 -14.036 13.340 1.00 0.00 O ATOM 0 H ASN B 650 -1.526 -12.842 11.520 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.989 -14.164 12.292 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -3.363 -15.627 10.373 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -1.762 -15.850 11.049 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -2.857 -18.523 13.140 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -1.538 -17.733 12.270 1.00 0.00 H new