USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 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: B 628 LYS NZ :NH3+ 144:sc= 0.499! (180deg=0) USER MOD Set 1.2: B 637 ASN : amide:sc= 1.13 K(o=1.6,f=-16!) USER MOD Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl 172:sc= -0.0331 (180deg=-0.0427) USER MOD Single : A 307 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.28) USER MOD Single : A 308 GLN : amide:sc= -2.54! X(o=-2.5!,f=-2.2) USER MOD Single : B 594 SER OG : rot 180:sc= 0 USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 606 THR OG1 : rot -3:sc= 0.494 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot 180:sc= 0 USER MOD Single : B 624 MET CE :methyl 153:sc= -0.0126 (180deg=-0.402) USER MOD Single : B 626 LYS NZ :NH3+ -122:sc= 0.0748 (180deg=-0.2) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 642 GLN : amide:sc= -4.96! C(o=-5!,f=-8.7!) USER MOD Single : B 646 ASN : amide:sc= -8.4! C(o=-8.4!,f=-19!) USER MOD Single : B 647 LYS NZ :NH3+ -115:sc= -3.86! (180deg=-7.89!) USER MOD Single : B 648 HIS : no HD1:sc= -0.0928 X(o=-0.093,f=-0.17) USER MOD Single : B 649 MET CE :methyl 149:sc= 0 (180deg=-0.00804) USER MOD Single : B 650 ASN : amide:sc= -2.39! K(o=-2.4!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 17.369 -3.869 -0.716 1.00 0.00 N ATOM 339 CA GLU A 301 17.042 -4.817 -1.826 1.00 0.00 C ATOM 340 C GLU A 301 15.552 -4.680 -2.078 1.00 0.00 C ATOM 341 O GLU A 301 15.026 -4.949 -3.140 1.00 0.00 O ATOM 342 CB GLU A 301 17.338 -6.245 -1.362 1.00 0.00 C ATOM 343 CG GLU A 301 16.804 -6.446 0.058 1.00 0.00 C ATOM 344 CD GLU A 301 17.007 -7.901 0.481 1.00 0.00 C ATOM 345 OE1 GLU A 301 16.707 -8.776 -0.314 1.00 0.00 O ATOM 346 OE2 GLU A 301 17.458 -8.117 1.594 1.00 0.00 O ATOM 0 HA GLU A 301 17.623 -4.604 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 301 16.875 -6.962 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.412 -6.431 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 301 17.321 -5.780 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 301 15.746 -6.189 0.099 1.00 0.00 H new ATOM 353 N PHE A 302 14.897 -4.216 -1.057 1.00 0.00 N ATOM 354 CA PHE A 302 13.438 -3.987 -1.115 1.00 0.00 C ATOM 355 C PHE A 302 13.129 -2.812 -2.043 1.00 0.00 C ATOM 356 O PHE A 302 12.510 -2.972 -3.075 1.00 0.00 O ATOM 357 CB PHE A 302 12.925 -3.685 0.301 1.00 0.00 C ATOM 358 CG PHE A 302 11.435 -3.928 0.383 1.00 0.00 C ATOM 359 CD1 PHE A 302 10.951 -5.195 0.726 1.00 0.00 C ATOM 360 CD2 PHE A 302 10.540 -2.882 0.126 1.00 0.00 C ATOM 361 CE1 PHE A 302 9.570 -5.419 0.810 1.00 0.00 C ATOM 362 CE2 PHE A 302 9.160 -3.106 0.211 1.00 0.00 C ATOM 363 CZ PHE A 302 8.676 -4.373 0.553 1.00 0.00 C ATOM 0 H PHE A 302 15.327 -3.981 -0.162 1.00 0.00 H new ATOM 0 HA PHE A 302 12.943 -4.877 -1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 302 13.443 -4.314 1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.146 -2.650 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.642 -6.001 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 302 10.914 -1.904 -0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.196 -6.398 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 302 8.469 -2.300 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 302 7.612 -4.544 0.619 1.00 0.00 H new ATOM 373 N CYS A 303 13.547 -1.632 -1.686 1.00 0.00 N ATOM 374 CA CYS A 303 13.262 -0.454 -2.550 1.00 0.00 C ATOM 375 C CYS A 303 14.019 -0.574 -3.878 1.00 0.00 C ATOM 376 O CYS A 303 13.458 -0.418 -4.944 1.00 0.00 O ATOM 377 CB CYS A 303 13.696 0.822 -1.827 1.00 0.00 C ATOM 378 SG CYS A 303 12.905 2.250 -2.607 1.00 0.00 S ATOM 0 H CYS A 303 14.073 -1.432 -0.835 1.00 0.00 H new ATOM 0 HA CYS A 303 12.192 -0.415 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 303 13.420 0.769 -0.774 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.780 0.926 -1.867 1.00 0.00 H new ATOM 383 N SER A 304 15.297 -0.819 -3.814 1.00 0.00 N ATOM 384 CA SER A 304 16.118 -0.919 -5.057 1.00 0.00 C ATOM 385 C SER A 304 15.501 -1.895 -6.072 1.00 0.00 C ATOM 386 O SER A 304 15.698 -1.746 -7.266 1.00 0.00 O ATOM 387 CB SER A 304 17.521 -1.401 -4.690 1.00 0.00 C ATOM 388 OG SER A 304 18.325 -1.443 -5.862 1.00 0.00 O ATOM 0 H SER A 304 15.815 -0.956 -2.946 1.00 0.00 H new ATOM 0 HA SER A 304 16.155 0.068 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 304 17.967 -0.733 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.471 -2.390 -4.234 1.00 0.00 H new ATOM 0 HG SER A 304 19.226 -1.750 -5.630 1.00 0.00 H new ATOM 394 N LYS A 305 14.724 -2.864 -5.632 1.00 0.00 N ATOM 395 CA LYS A 305 14.092 -3.813 -6.619 1.00 0.00 C ATOM 396 C LYS A 305 12.643 -3.396 -6.856 1.00 0.00 C ATOM 397 O LYS A 305 12.016 -3.796 -7.826 1.00 0.00 O ATOM 398 CB LYS A 305 14.162 -5.258 -6.123 1.00 0.00 C ATOM 399 CG LYS A 305 15.620 -5.662 -5.898 1.00 0.00 C ATOM 400 CD LYS A 305 15.668 -7.055 -5.263 1.00 0.00 C ATOM 401 CE LYS A 305 17.116 -7.550 -5.221 1.00 0.00 C ATOM 402 NZ LYS A 305 17.159 -8.905 -4.604 1.00 0.00 N ATOM 0 H LYS A 305 14.502 -3.039 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 305 14.644 -3.765 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 305 13.600 -5.361 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 305 13.699 -5.924 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.159 -5.663 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.114 -4.938 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 305 15.255 -7.021 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.052 -7.748 -5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 305 17.529 -7.584 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 305 17.732 -6.858 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 18.142 -9.242 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 16.780 -8.858 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 16.584 -9.562 -5.169 1.00 0.00 H new ATOM 416 N MET A 306 12.108 -2.548 -6.033 1.00 0.00 N ATOM 417 CA MET A 306 10.726 -2.092 -6.293 1.00 0.00 C ATOM 418 C MET A 306 10.798 -1.113 -7.453 1.00 0.00 C ATOM 419 O MET A 306 9.844 -0.934 -8.184 1.00 0.00 O ATOM 420 CB MET A 306 10.140 -1.400 -5.057 1.00 0.00 C ATOM 421 CG MET A 306 9.622 -2.456 -4.077 1.00 0.00 C ATOM 422 SD MET A 306 9.293 -1.682 -2.470 1.00 0.00 S ATOM 423 CE MET A 306 7.484 -1.731 -2.534 1.00 0.00 C ATOM 0 H MET A 306 12.559 -2.157 -5.206 1.00 0.00 H new ATOM 0 HA MET A 306 10.081 -2.938 -6.528 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.901 -0.785 -4.577 1.00 0.00 H new ATOM 0 HB3 MET A 306 9.330 -0.733 -5.351 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.712 -2.912 -4.466 1.00 0.00 H new ATOM 0 HG3 MET A 306 10.356 -3.254 -3.965 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.077 -1.427 -1.569 1.00 0.00 H new ATOM 0 HE2 MET A 306 7.129 -1.051 -3.308 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.155 -2.745 -2.763 1.00 0.00 H new ATOM 433 N ASN A 307 11.938 -0.475 -7.652 1.00 0.00 N ATOM 434 CA ASN A 307 12.037 0.473 -8.795 1.00 0.00 C ATOM 435 C ASN A 307 12.314 -0.375 -10.029 1.00 0.00 C ATOM 436 O ASN A 307 11.733 -0.179 -11.072 1.00 0.00 O ATOM 437 CB ASN A 307 13.166 1.479 -8.565 1.00 0.00 C ATOM 438 CG ASN A 307 13.214 2.470 -9.730 1.00 0.00 C ATOM 439 OD1 ASN A 307 12.869 3.625 -9.574 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.627 2.064 -10.899 1.00 0.00 N ATOM 0 H ASN A 307 12.778 -0.573 -7.082 1.00 0.00 H new ATOM 0 HA ASN A 307 11.119 1.050 -8.911 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.007 2.012 -7.627 1.00 0.00 H new ATOM 0 HB3 ASN A 307 14.119 0.958 -8.478 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.661 2.716 -11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 307 13.916 1.095 -11.029 1.00 0.00 H new ATOM 447 N GLN A 308 13.204 -1.350 -9.879 1.00 0.00 N ATOM 448 CA GLN A 308 13.542 -2.280 -11.017 1.00 0.00 C ATOM 449 C GLN A 308 12.279 -2.539 -11.841 1.00 0.00 C ATOM 450 O GLN A 308 12.306 -2.567 -13.054 1.00 0.00 O ATOM 451 CB GLN A 308 14.041 -3.624 -10.455 1.00 0.00 C ATOM 452 CG GLN A 308 15.527 -3.515 -10.093 1.00 0.00 C ATOM 453 CD GLN A 308 15.998 -4.826 -9.462 1.00 0.00 C ATOM 454 OE1 GLN A 308 17.056 -4.879 -8.865 1.00 0.00 O ATOM 455 NE2 GLN A 308 15.256 -5.893 -9.571 1.00 0.00 N ATOM 0 H GLN A 308 13.709 -1.537 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 308 14.316 -1.826 -11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 308 13.461 -3.898 -9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.893 -4.414 -11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 308 16.114 -3.297 -10.985 1.00 0.00 H new ATOM 0 HG3 GLN A 308 15.683 -2.689 -9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 308 14.369 -5.848 -10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 308 15.563 -6.772 -9.155 1.00 0.00 H new ATOM 464 N VAL A 309 11.165 -2.708 -11.171 1.00 0.00 N ATOM 465 CA VAL A 309 9.878 -2.943 -11.898 1.00 0.00 C ATOM 466 C VAL A 309 9.764 -1.954 -13.066 1.00 0.00 C ATOM 467 O VAL A 309 8.992 -2.138 -13.986 1.00 0.00 O ATOM 468 CB VAL A 309 8.705 -2.709 -10.941 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.409 -3.184 -11.601 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.930 -3.492 -9.649 1.00 0.00 C ATOM 0 H VAL A 309 11.091 -2.693 -10.154 1.00 0.00 H new ATOM 0 HA VAL A 309 9.857 -3.966 -12.273 1.00 0.00 H new ATOM 0 HB VAL A 309 8.633 -1.646 -10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.573 -3.018 -10.922 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.244 -2.626 -12.522 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.486 -4.247 -11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.094 -3.323 -8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.004 -4.555 -9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.853 -3.157 -9.177 1.00 0.00 H new ATOM 480 N CYS A 310 10.544 -0.907 -13.024 1.00 0.00 N ATOM 481 CA CYS A 310 10.517 0.113 -14.110 1.00 0.00 C ATOM 482 C CYS A 310 11.406 -0.356 -15.266 1.00 0.00 C ATOM 483 O CYS A 310 10.987 -0.397 -16.405 1.00 0.00 O ATOM 484 CB CYS A 310 11.037 1.449 -13.560 1.00 0.00 C ATOM 485 SG CYS A 310 9.695 2.306 -12.699 1.00 0.00 S ATOM 0 H CYS A 310 11.207 -0.714 -12.273 1.00 0.00 H new ATOM 0 HA CYS A 310 9.497 0.244 -14.472 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.869 1.275 -12.878 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.416 2.068 -14.374 1.00 0.00 H new ATOM 490 N GLY A 311 12.631 -0.710 -14.983 1.00 0.00 N ATOM 491 CA GLY A 311 13.538 -1.176 -16.069 1.00 0.00 C ATOM 492 C GLY A 311 12.990 -2.470 -16.673 1.00 0.00 C ATOM 493 O GLY A 311 12.644 -3.395 -15.965 1.00 0.00 O ATOM 0 H GLY A 311 13.041 -0.696 -14.049 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.623 -0.410 -16.840 1.00 0.00 H new ATOM 0 HA3 GLY A 311 14.540 -1.343 -15.674 1.00 0.00 H new ATOM 928 N GLY B 593 -6.114 5.950 -0.433 1.00 0.00 N ATOM 929 CA GLY B 593 -5.391 5.514 -1.662 1.00 0.00 C ATOM 930 C GLY B 593 -4.300 6.531 -2.005 1.00 0.00 C ATOM 931 O GLY B 593 -4.134 6.913 -3.146 1.00 0.00 O ATOM 0 HA2 GLY B 593 -4.949 4.530 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.090 5.421 -2.493 1.00 0.00 H new ATOM 935 N SER B 594 -3.556 6.975 -1.029 1.00 0.00 N ATOM 936 CA SER B 594 -2.481 7.967 -1.311 1.00 0.00 C ATOM 937 C SER B 594 -1.339 7.295 -2.064 1.00 0.00 C ATOM 938 O SER B 594 -1.232 6.086 -2.116 1.00 0.00 O ATOM 939 CB SER B 594 -1.934 8.547 -0.012 1.00 0.00 C ATOM 940 OG SER B 594 -2.931 9.346 0.608 1.00 0.00 O ATOM 0 H SER B 594 -3.646 6.695 -0.052 1.00 0.00 H new ATOM 0 HA SER B 594 -2.907 8.768 -1.915 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.629 7.743 0.658 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.047 9.147 -0.215 1.00 0.00 H new ATOM 0 HG SER B 594 -2.579 9.717 1.444 1.00 0.00 H new ATOM 946 N LEU B 595 -0.484 8.080 -2.646 1.00 0.00 N ATOM 947 CA LEU B 595 0.667 7.527 -3.407 1.00 0.00 C ATOM 948 C LEU B 595 1.847 7.318 -2.459 1.00 0.00 C ATOM 949 O LEU B 595 2.398 8.265 -1.934 1.00 0.00 O ATOM 950 CB LEU B 595 1.054 8.541 -4.483 1.00 0.00 C ATOM 951 CG LEU B 595 0.094 8.434 -5.672 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.352 8.500 -5.176 1.00 0.00 C ATOM 953 CD2 LEU B 595 0.354 9.593 -6.636 1.00 0.00 C ATOM 0 H LEU B 595 -0.533 9.099 -2.627 1.00 0.00 H new ATOM 0 HA LEU B 595 0.400 6.573 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU B 595 1.025 9.550 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU B 595 2.077 8.361 -4.813 1.00 0.00 H new ATOM 0 HG LEU B 595 0.256 7.486 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -2.032 8.424 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -1.538 7.676 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.518 9.447 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -0.327 9.521 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU B 595 0.192 10.539 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU B 595 1.383 9.546 -6.992 1.00 0.00 H new ATOM 965 N LEU B 596 2.245 6.084 -2.239 1.00 0.00 N ATOM 966 CA LEU B 596 3.406 5.807 -1.328 1.00 0.00 C ATOM 967 C LEU B 596 4.432 4.951 -2.084 1.00 0.00 C ATOM 968 O LEU B 596 4.100 4.251 -3.020 1.00 0.00 O ATOM 969 CB LEU B 596 2.917 5.081 -0.059 1.00 0.00 C ATOM 970 CG LEU B 596 1.516 5.612 0.374 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.416 4.655 -0.101 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.447 5.723 1.905 1.00 0.00 C ATOM 0 H LEU B 596 1.815 5.256 -2.652 1.00 0.00 H new ATOM 0 HA LEU B 596 3.874 6.743 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.863 4.008 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.633 5.229 0.749 1.00 0.00 H new ATOM 0 HG LEU B 596 1.366 6.593 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.557 5.037 0.208 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.447 4.576 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.575 3.671 0.339 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.465 6.095 2.199 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.611 4.741 2.349 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.216 6.412 2.255 1.00 0.00 H new ATOM 984 N ARG B 597 5.687 5.035 -1.707 1.00 0.00 N ATOM 985 CA ARG B 597 6.756 4.265 -2.427 1.00 0.00 C ATOM 986 C ARG B 597 7.166 3.004 -1.650 1.00 0.00 C ATOM 987 O ARG B 597 6.335 2.241 -1.195 1.00 0.00 O ATOM 988 CB ARG B 597 7.984 5.164 -2.613 1.00 0.00 C ATOM 989 CG ARG B 597 7.543 6.537 -3.131 1.00 0.00 C ATOM 990 CD ARG B 597 8.769 7.431 -3.324 1.00 0.00 C ATOM 991 NE ARG B 597 9.315 7.819 -1.993 1.00 0.00 N ATOM 992 CZ ARG B 597 10.511 8.332 -1.904 1.00 0.00 C ATOM 993 NH1 ARG B 597 11.227 8.507 -2.980 1.00 0.00 N ATOM 994 NH2 ARG B 597 10.991 8.670 -0.738 1.00 0.00 N ATOM 0 H ARG B 597 6.019 5.605 -0.929 1.00 0.00 H new ATOM 0 HA ARG B 597 6.358 3.953 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.513 5.274 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.680 4.705 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG B 597 7.009 6.426 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG B 597 6.852 6.998 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG B 597 9.529 6.905 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG B 597 8.498 8.321 -3.891 1.00 0.00 H new ATOM 0 HE ARG B 597 8.754 7.684 -1.152 1.00 0.00 H new ATOM 0 HH11 ARG B 597 10.852 8.243 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG B 597 12.162 8.908 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG B 597 10.431 8.533 0.103 1.00 0.00 H new ATOM 0 HH22 ARG B 597 11.926 9.071 -0.668 1.00 0.00 H new ATOM 1008 N CYS B 598 8.450 2.767 -1.536 1.00 0.00 N ATOM 1009 CA CYS B 598 8.948 1.540 -0.839 1.00 0.00 C ATOM 1010 C CYS B 598 9.034 1.752 0.678 1.00 0.00 C ATOM 1011 O CYS B 598 8.042 1.701 1.377 1.00 0.00 O ATOM 1012 CB CYS B 598 10.339 1.201 -1.378 1.00 0.00 C ATOM 1013 SG CYS B 598 11.361 2.697 -1.383 1.00 0.00 S ATOM 0 H CYS B 598 9.182 3.378 -1.900 1.00 0.00 H new ATOM 0 HA CYS B 598 8.249 0.726 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.803 0.432 -0.761 1.00 0.00 H new ATOM 0 HB3 CYS B 598 10.262 0.796 -2.387 1.00 0.00 H new ATOM 1018 N SER B 599 10.224 1.964 1.191 1.00 0.00 N ATOM 1019 CA SER B 599 10.396 2.155 2.666 1.00 0.00 C ATOM 1020 C SER B 599 9.302 3.080 3.196 1.00 0.00 C ATOM 1021 O SER B 599 8.990 3.103 4.382 1.00 0.00 O ATOM 1022 CB SER B 599 11.767 2.776 2.941 1.00 0.00 C ATOM 1023 OG SER B 599 11.875 3.080 4.326 1.00 0.00 O ATOM 0 H SER B 599 11.086 2.013 0.648 1.00 0.00 H new ATOM 0 HA SER B 599 10.325 1.189 3.167 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.558 2.086 2.645 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.895 3.681 2.347 1.00 0.00 H new ATOM 0 HG SER B 599 12.753 3.477 4.506 1.00 0.00 H new ATOM 1029 N GLU B 600 8.697 3.832 2.321 1.00 0.00 N ATOM 1030 CA GLU B 600 7.610 4.742 2.747 1.00 0.00 C ATOM 1031 C GLU B 600 6.648 3.964 3.646 1.00 0.00 C ATOM 1032 O GLU B 600 6.098 4.475 4.608 1.00 0.00 O ATOM 1033 CB GLU B 600 6.851 5.218 1.503 1.00 0.00 C ATOM 1034 CG GLU B 600 7.651 6.323 0.798 1.00 0.00 C ATOM 1035 CD GLU B 600 7.618 7.599 1.642 1.00 0.00 C ATOM 1036 OE1 GLU B 600 6.534 7.996 2.037 1.00 0.00 O ATOM 1037 OE2 GLU B 600 8.677 8.157 1.879 1.00 0.00 O ATOM 0 H GLU B 600 8.913 3.852 1.324 1.00 0.00 H new ATOM 0 HA GLU B 600 8.020 5.597 3.285 1.00 0.00 H new ATOM 0 HB2 GLU B 600 6.689 4.382 0.822 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.868 5.593 1.787 1.00 0.00 H new ATOM 0 HG2 GLU B 600 8.681 6.001 0.648 1.00 0.00 H new ATOM 0 HG3 GLU B 600 7.231 6.517 -0.189 1.00 0.00 H new ATOM 1044 N ILE B 601 6.431 2.712 3.315 1.00 0.00 N ATOM 1045 CA ILE B 601 5.495 1.896 4.121 1.00 0.00 C ATOM 1046 C ILE B 601 6.161 1.615 5.467 1.00 0.00 C ATOM 1047 O ILE B 601 5.513 1.514 6.487 1.00 0.00 O ATOM 1048 CB ILE B 601 5.170 0.584 3.351 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.838 0.736 2.601 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.048 -0.617 4.298 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.994 1.778 1.491 1.00 0.00 C ATOM 0 H ILE B 601 6.863 2.232 2.526 1.00 0.00 H new ATOM 0 HA ILE B 601 4.554 2.418 4.295 1.00 0.00 H new ATOM 0 HB ILE B 601 5.991 0.406 2.656 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.536 -0.221 2.176 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.052 1.040 3.292 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.821 -1.513 3.721 1.00 0.00 H new ATOM 0 HG22 ILE B 601 5.989 -0.757 4.831 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.248 -0.435 5.016 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.049 1.886 0.958 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.276 2.736 1.928 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.768 1.455 0.795 1.00 0.00 H new ATOM 1063 N TRP B 602 7.476 1.492 5.463 1.00 0.00 N ATOM 1064 CA TRP B 602 8.214 1.228 6.734 1.00 0.00 C ATOM 1065 C TRP B 602 7.646 2.155 7.791 1.00 0.00 C ATOM 1066 O TRP B 602 7.444 1.778 8.928 1.00 0.00 O ATOM 1067 CB TRP B 602 9.708 1.512 6.547 1.00 0.00 C ATOM 1068 CG TRP B 602 10.471 0.958 7.708 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.063 1.700 8.672 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.738 -0.435 8.043 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.675 0.851 9.578 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.503 -0.475 9.232 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.394 -1.656 7.434 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 11.912 -1.682 9.799 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 10.804 -2.873 8.003 1.00 0.00 C ATOM 1076 CH2 TRP B 602 11.562 -2.886 9.182 1.00 0.00 C ATOM 0 H TRP B 602 8.062 1.564 4.631 1.00 0.00 H new ATOM 0 HA TRP B 602 8.100 0.185 7.030 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.061 1.063 5.619 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.877 2.586 6.466 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.059 2.779 8.726 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.190 1.166 10.400 1.00 0.00 H new ATOM 0 HE3 TRP B 602 9.812 -1.657 6.524 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.495 -1.686 10.708 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 10.533 -3.805 7.529 1.00 0.00 H new ATOM 0 HH2 TRP B 602 11.875 -3.825 9.613 1.00 0.00 H new ATOM 1087 N ASP B 603 7.337 3.358 7.402 1.00 0.00 N ATOM 1088 CA ASP B 603 6.725 4.302 8.368 1.00 0.00 C ATOM 1089 C ASP B 603 5.307 3.809 8.670 1.00 0.00 C ATOM 1090 O ASP B 603 4.875 3.785 9.805 1.00 0.00 O ATOM 1091 CB ASP B 603 6.669 5.702 7.755 1.00 0.00 C ATOM 1092 CG ASP B 603 8.081 6.150 7.377 1.00 0.00 C ATOM 1093 OD1 ASP B 603 8.562 5.714 6.343 1.00 0.00 O ATOM 1094 OD2 ASP B 603 8.659 6.918 8.128 1.00 0.00 O ATOM 0 H ASP B 603 7.482 3.725 6.461 1.00 0.00 H new ATOM 0 HA ASP B 603 7.314 4.348 9.284 1.00 0.00 H new ATOM 0 HB2 ASP B 603 6.029 5.699 6.873 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.231 6.404 8.465 1.00 0.00 H new ATOM 1099 N ARG B 604 4.584 3.395 7.655 1.00 0.00 N ATOM 1100 CA ARG B 604 3.197 2.882 7.885 1.00 0.00 C ATOM 1101 C ARG B 604 3.247 1.719 8.888 1.00 0.00 C ATOM 1102 O ARG B 604 2.296 1.451 9.596 1.00 0.00 O ATOM 1103 CB ARG B 604 2.593 2.390 6.563 1.00 0.00 C ATOM 1104 CG ARG B 604 2.549 3.540 5.540 1.00 0.00 C ATOM 1105 CD ARG B 604 1.423 4.535 5.868 1.00 0.00 C ATOM 1106 NE ARG B 604 0.149 3.807 6.190 1.00 0.00 N ATOM 1107 CZ ARG B 604 -0.387 2.958 5.352 1.00 0.00 C ATOM 1108 NH1 ARG B 604 0.070 2.851 4.134 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -1.420 2.252 5.719 1.00 0.00 N ATOM 0 H ARG B 604 4.893 3.390 6.683 1.00 0.00 H new ATOM 0 HA ARG B 604 2.578 3.686 8.282 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.186 1.565 6.168 1.00 0.00 H new ATOM 0 HB3 ARG B 604 1.587 2.007 6.734 1.00 0.00 H new ATOM 0 HG2 ARG B 604 3.507 4.060 5.533 1.00 0.00 H new ATOM 0 HG3 ARG B 604 2.399 3.134 4.539 1.00 0.00 H new ATOM 0 HD2 ARG B 604 1.716 5.158 6.714 1.00 0.00 H new ATOM 0 HD3 ARG B 604 1.262 5.202 5.021 1.00 0.00 H new ATOM 0 HE ARG B 604 -0.310 3.979 7.085 1.00 0.00 H new ATOM 0 HH11 ARG B 604 0.851 3.432 3.829 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -0.354 2.186 3.487 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -1.807 2.363 6.656 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -1.841 1.589 5.069 1.00 0.00 H new ATOM 1123 N ILE B 605 4.355 1.032 8.947 1.00 0.00 N ATOM 1124 CA ILE B 605 4.507 -0.118 9.891 1.00 0.00 C ATOM 1125 C ILE B 605 4.968 0.378 11.268 1.00 0.00 C ATOM 1126 O ILE B 605 4.453 -0.039 12.287 1.00 0.00 O ATOM 1127 CB ILE B 605 5.559 -1.081 9.327 1.00 0.00 C ATOM 1128 CG1 ILE B 605 4.982 -1.776 8.093 1.00 0.00 C ATOM 1129 CG2 ILE B 605 5.918 -2.139 10.376 1.00 0.00 C ATOM 1130 CD1 ILE B 605 6.097 -2.510 7.344 1.00 0.00 C ATOM 0 H ILE B 605 5.176 1.220 8.372 1.00 0.00 H new ATOM 0 HA ILE B 605 3.547 -0.622 10.001 1.00 0.00 H new ATOM 0 HB ILE B 605 6.456 -0.522 9.062 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.206 -2.481 8.391 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.512 -1.043 7.437 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.666 -2.818 9.967 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.319 -1.650 11.263 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.025 -2.702 10.645 1.00 0.00 H new ATOM 0 HD11 ILE B 605 5.681 -3.004 6.466 1.00 0.00 H new ATOM 0 HD12 ILE B 605 6.858 -1.795 7.032 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.547 -3.255 8.000 1.00 0.00 H new ATOM 1142 N THR B 606 5.940 1.244 11.314 1.00 0.00 N ATOM 1143 CA THR B 606 6.429 1.735 12.633 1.00 0.00 C ATOM 1144 C THR B 606 5.250 2.193 13.496 1.00 0.00 C ATOM 1145 O THR B 606 5.202 1.928 14.681 1.00 0.00 O ATOM 1146 CB THR B 606 7.391 2.905 12.419 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.802 3.845 11.531 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.704 2.389 11.823 1.00 0.00 C ATOM 0 H THR B 606 6.416 1.632 10.500 1.00 0.00 H new ATOM 0 HA THR B 606 6.948 0.923 13.143 1.00 0.00 H new ATOM 0 HB THR B 606 7.595 3.387 13.375 1.00 0.00 H new ATOM 0 HG1 THR B 606 5.934 3.507 11.226 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.388 3.224 11.671 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.156 1.670 12.506 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.504 1.905 10.867 1.00 0.00 H new ATOM 1267 N ILE B 614 4.928 -9.965 12.055 1.00 0.00 N ATOM 1268 CA ILE B 614 3.903 -9.905 10.970 1.00 0.00 C ATOM 1269 C ILE B 614 4.346 -10.814 9.815 1.00 0.00 C ATOM 1270 O ILE B 614 4.611 -11.986 10.001 1.00 0.00 O ATOM 1271 CB ILE B 614 3.776 -8.459 10.468 1.00 0.00 C ATOM 1272 CG1 ILE B 614 3.734 -7.502 11.665 1.00 0.00 C ATOM 1273 CG2 ILE B 614 2.493 -8.304 9.641 1.00 0.00 C ATOM 1274 CD1 ILE B 614 3.459 -6.079 11.174 1.00 0.00 C ATOM 0 HA ILE B 614 2.938 -10.239 11.352 1.00 0.00 H new ATOM 0 HB ILE B 614 4.636 -8.221 9.842 1.00 0.00 H new ATOM 0 HG12 ILE B 614 2.958 -7.812 12.365 1.00 0.00 H new ATOM 0 HG13 ILE B 614 4.681 -7.535 12.204 1.00 0.00 H new ATOM 0 HG21 ILE B 614 2.409 -7.276 9.288 1.00 0.00 H new ATOM 0 HG22 ILE B 614 2.527 -8.979 8.786 1.00 0.00 H new ATOM 0 HG23 ILE B 614 1.629 -8.546 10.260 1.00 0.00 H new ATOM 0 HD11 ILE B 614 3.429 -5.400 12.026 1.00 0.00 H new ATOM 0 HD12 ILE B 614 4.251 -5.770 10.491 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.501 -6.052 10.655 1.00 0.00 H new ATOM 1286 N ASP B 615 4.433 -10.279 8.630 1.00 0.00 N ATOM 1287 CA ASP B 615 4.862 -11.088 7.458 1.00 0.00 C ATOM 1288 C ASP B 615 5.365 -10.123 6.387 1.00 0.00 C ATOM 1289 O ASP B 615 4.600 -9.583 5.620 1.00 0.00 O ATOM 1290 CB ASP B 615 3.675 -11.887 6.918 1.00 0.00 C ATOM 1291 CG ASP B 615 3.251 -12.933 7.951 1.00 0.00 C ATOM 1292 OD1 ASP B 615 2.475 -12.591 8.828 1.00 0.00 O ATOM 1293 OD2 ASP B 615 3.708 -14.060 7.847 1.00 0.00 O ATOM 0 H ASP B 615 4.222 -9.303 8.422 1.00 0.00 H new ATOM 0 HA ASP B 615 5.648 -11.787 7.743 1.00 0.00 H new ATOM 0 HB2 ASP B 615 2.842 -11.218 6.699 1.00 0.00 H new ATOM 0 HB3 ASP B 615 3.947 -12.374 5.982 1.00 0.00 H new ATOM 1298 N VAL B 616 6.648 -9.899 6.345 1.00 0.00 N ATOM 1299 CA VAL B 616 7.217 -8.957 5.336 1.00 0.00 C ATOM 1300 C VAL B 616 7.402 -9.670 3.993 1.00 0.00 C ATOM 1301 O VAL B 616 7.534 -9.044 2.958 1.00 0.00 O ATOM 1302 CB VAL B 616 8.565 -8.439 5.836 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.080 -7.354 4.889 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.392 -7.848 7.240 1.00 0.00 C ATOM 0 H VAL B 616 7.332 -10.329 6.968 1.00 0.00 H new ATOM 0 HA VAL B 616 6.531 -8.121 5.197 1.00 0.00 H new ATOM 0 HB VAL B 616 9.280 -9.261 5.869 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.041 -6.985 5.247 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.200 -7.771 3.889 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.366 -6.531 4.855 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.352 -7.478 7.600 1.00 0.00 H new ATOM 0 HG22 VAL B 616 7.677 -7.026 7.203 1.00 0.00 H new ATOM 0 HG23 VAL B 616 8.024 -8.619 7.917 1.00 0.00 H new ATOM 1314 N ASP B 617 7.433 -10.973 4.003 1.00 0.00 N ATOM 1315 CA ASP B 617 7.634 -11.727 2.730 1.00 0.00 C ATOM 1316 C ASP B 617 6.454 -11.509 1.776 1.00 0.00 C ATOM 1317 O ASP B 617 6.635 -11.274 0.598 1.00 0.00 O ATOM 1318 CB ASP B 617 7.759 -13.219 3.043 1.00 0.00 C ATOM 1319 CG ASP B 617 8.928 -13.441 4.004 1.00 0.00 C ATOM 1320 OD1 ASP B 617 9.951 -12.803 3.820 1.00 0.00 O ATOM 1321 OD2 ASP B 617 8.780 -14.248 4.908 1.00 0.00 O ATOM 0 H ASP B 617 7.328 -11.551 4.837 1.00 0.00 H new ATOM 0 HA ASP B 617 8.543 -11.364 2.250 1.00 0.00 H new ATOM 0 HB2 ASP B 617 6.834 -13.587 3.487 1.00 0.00 H new ATOM 0 HB3 ASP B 617 7.918 -13.783 2.124 1.00 0.00 H new ATOM 1326 N GLY B 618 5.248 -11.602 2.265 1.00 0.00 N ATOM 1327 CA GLY B 618 4.066 -11.419 1.370 1.00 0.00 C ATOM 1328 C GLY B 618 3.999 -9.980 0.859 1.00 0.00 C ATOM 1329 O GLY B 618 3.625 -9.736 -0.270 1.00 0.00 O ATOM 0 H GLY B 618 5.028 -11.796 3.242 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.130 -12.108 0.528 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.152 -11.662 1.911 1.00 0.00 H new ATOM 1333 N LEU B 619 4.362 -9.023 1.666 1.00 0.00 N ATOM 1334 CA LEU B 619 4.308 -7.613 1.185 1.00 0.00 C ATOM 1335 C LEU B 619 5.337 -7.452 0.066 1.00 0.00 C ATOM 1336 O LEU B 619 5.257 -6.553 -0.747 1.00 0.00 O ATOM 1337 CB LEU B 619 4.618 -6.628 2.330 1.00 0.00 C ATOM 1338 CG LEU B 619 4.100 -7.184 3.651 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.364 -6.170 4.764 1.00 0.00 C ATOM 1340 CD2 LEU B 619 2.595 -7.448 3.544 1.00 0.00 C ATOM 0 H LEU B 619 4.689 -9.151 2.624 1.00 0.00 H new ATOM 0 HA LEU B 619 3.306 -7.391 0.818 1.00 0.00 H new ATOM 0 HB2 LEU B 619 5.693 -6.459 2.394 1.00 0.00 H new ATOM 0 HB3 LEU B 619 4.155 -5.663 2.126 1.00 0.00 H new ATOM 0 HG LEU B 619 4.613 -8.118 3.879 1.00 0.00 H new ATOM 0 HD11 LEU B 619 3.995 -6.564 5.711 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.435 -5.985 4.841 1.00 0.00 H new ATOM 0 HD13 LEU B 619 3.850 -5.236 4.535 1.00 0.00 H new ATOM 0 HD21 LEU B 619 2.227 -7.846 4.490 1.00 0.00 H new ATOM 0 HD22 LEU B 619 2.077 -6.516 3.316 1.00 0.00 H new ATOM 0 HD23 LEU B 619 2.408 -8.170 2.750 1.00 0.00 H new ATOM 1352 N CYS B 620 6.307 -8.323 0.028 1.00 0.00 N ATOM 1353 CA CYS B 620 7.353 -8.235 -1.025 1.00 0.00 C ATOM 1354 C CYS B 620 6.755 -8.578 -2.392 1.00 0.00 C ATOM 1355 O CYS B 620 6.895 -7.833 -3.334 1.00 0.00 O ATOM 1356 CB CYS B 620 8.483 -9.214 -0.703 1.00 0.00 C ATOM 1357 SG CYS B 620 9.923 -8.835 -1.732 1.00 0.00 S ATOM 0 H CYS B 620 6.419 -9.095 0.685 1.00 0.00 H new ATOM 0 HA CYS B 620 7.744 -7.218 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.748 -9.145 0.352 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.154 -10.237 -0.883 1.00 0.00 H new ATOM 0 HG CYS B 620 10.884 -9.666 -1.457 1.00 0.00 H new ATOM 1363 N SER B 621 6.091 -9.698 -2.519 1.00 0.00 N ATOM 1364 CA SER B 621 5.502 -10.066 -3.846 1.00 0.00 C ATOM 1365 C SER B 621 4.139 -9.389 -4.025 1.00 0.00 C ATOM 1366 O SER B 621 3.510 -9.513 -5.058 1.00 0.00 O ATOM 1367 CB SER B 621 5.358 -11.583 -3.958 1.00 0.00 C ATOM 1368 OG SER B 621 4.431 -12.039 -2.981 1.00 0.00 O ATOM 0 H SER B 621 5.931 -10.370 -1.769 1.00 0.00 H new ATOM 0 HA SER B 621 6.171 -9.720 -4.634 1.00 0.00 H new ATOM 0 HB2 SER B 621 5.015 -11.855 -4.956 1.00 0.00 H new ATOM 0 HB3 SER B 621 6.325 -12.064 -3.811 1.00 0.00 H new ATOM 0 HG SER B 621 4.334 -13.012 -3.051 1.00 0.00 H new ATOM 1374 N GLU B 622 3.688 -8.655 -3.048 1.00 0.00 N ATOM 1375 CA GLU B 622 2.378 -7.943 -3.173 1.00 0.00 C ATOM 1376 C GLU B 622 2.624 -6.467 -3.523 1.00 0.00 C ATOM 1377 O GLU B 622 2.000 -5.928 -4.415 1.00 0.00 O ATOM 1378 CB GLU B 622 1.613 -8.041 -1.847 1.00 0.00 C ATOM 1379 CG GLU B 622 0.126 -7.751 -2.083 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.511 -8.917 -2.843 1.00 0.00 C ATOM 1381 OE1 GLU B 622 -0.270 -10.050 -2.460 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -1.230 -8.656 -3.794 1.00 0.00 O ATOM 0 H GLU B 622 4.171 -8.514 -2.161 1.00 0.00 H new ATOM 0 HA GLU B 622 1.788 -8.405 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU B 622 1.735 -9.036 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU B 622 2.022 -7.332 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU B 622 -0.382 -7.604 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU B 622 0.011 -6.828 -2.651 1.00 0.00 H new ATOM 1389 N LEU B 623 3.520 -5.805 -2.837 1.00 0.00 N ATOM 1390 CA LEU B 623 3.783 -4.364 -3.151 1.00 0.00 C ATOM 1391 C LEU B 623 4.810 -4.251 -4.292 1.00 0.00 C ATOM 1392 O LEU B 623 4.934 -3.215 -4.915 1.00 0.00 O ATOM 1393 CB LEU B 623 4.326 -3.646 -1.899 1.00 0.00 C ATOM 1394 CG LEU B 623 3.176 -3.245 -0.959 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.553 -4.495 -0.322 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.721 -2.329 0.146 1.00 0.00 C ATOM 0 H LEU B 623 4.079 -6.195 -2.078 1.00 0.00 H new ATOM 0 HA LEU B 623 2.849 -3.896 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU B 623 5.022 -4.299 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.885 -2.759 -2.196 1.00 0.00 H new ATOM 0 HG LEU B 623 2.412 -2.721 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.740 -4.199 0.341 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.164 -5.147 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.312 -5.029 0.250 1.00 0.00 H new ATOM 0 HD21 LEU B 623 2.909 -2.042 0.814 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.488 -2.858 0.712 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.154 -1.435 -0.303 1.00 0.00 H new ATOM 1408 N MET B 624 5.564 -5.286 -4.559 1.00 0.00 N ATOM 1409 CA MET B 624 6.592 -5.194 -5.644 1.00 0.00 C ATOM 1410 C MET B 624 5.937 -5.198 -7.032 1.00 0.00 C ATOM 1411 O MET B 624 6.488 -4.665 -7.970 1.00 0.00 O ATOM 1412 CB MET B 624 7.559 -6.375 -5.544 1.00 0.00 C ATOM 1413 CG MET B 624 8.562 -6.319 -6.698 1.00 0.00 C ATOM 1414 SD MET B 624 9.914 -7.480 -6.381 1.00 0.00 S ATOM 1415 CE MET B 624 10.916 -7.062 -7.829 1.00 0.00 C ATOM 0 H MET B 624 5.515 -6.184 -4.079 1.00 0.00 H new ATOM 0 HA MET B 624 7.132 -4.256 -5.516 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.086 -6.347 -4.590 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.006 -7.314 -5.575 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.067 -6.569 -7.636 1.00 0.00 H new ATOM 0 HG3 MET B 624 8.954 -5.308 -6.804 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.965 -7.270 -7.618 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.592 -7.660 -8.681 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.796 -6.004 -8.062 1.00 0.00 H new ATOM 1425 N ALA B 625 4.771 -5.783 -7.179 1.00 0.00 N ATOM 1426 CA ALA B 625 4.099 -5.799 -8.524 1.00 0.00 C ATOM 1427 C ALA B 625 2.939 -4.807 -8.525 1.00 0.00 C ATOM 1428 O ALA B 625 2.604 -4.251 -9.552 1.00 0.00 O ATOM 1429 CB ALA B 625 3.601 -7.207 -8.858 1.00 0.00 C ATOM 0 H ALA B 625 4.256 -6.248 -6.432 1.00 0.00 H new ATOM 0 HA ALA B 625 4.820 -5.506 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.117 -7.200 -9.835 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.445 -7.897 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.885 -7.529 -8.101 1.00 0.00 H new ATOM 1435 N LYS B 626 2.352 -4.521 -7.401 1.00 0.00 N ATOM 1436 CA LYS B 626 1.269 -3.503 -7.409 1.00 0.00 C ATOM 1437 C LYS B 626 1.930 -2.178 -7.794 1.00 0.00 C ATOM 1438 O LYS B 626 1.288 -1.195 -8.104 1.00 0.00 O ATOM 1439 CB LYS B 626 0.642 -3.398 -6.014 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.124 -4.692 -5.681 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.548 -4.625 -6.247 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.325 -5.873 -5.823 1.00 0.00 C ATOM 1443 NZ LYS B 626 -1.777 -7.064 -6.531 1.00 0.00 N ATOM 0 H LYS B 626 2.568 -4.937 -6.495 1.00 0.00 H new ATOM 0 HA LYS B 626 0.476 -3.766 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.419 -3.224 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.035 -2.545 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS B 626 0.401 -5.552 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.160 -4.834 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -2.053 -3.729 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.516 -4.556 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -2.251 -6.012 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -3.383 -5.753 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -2.534 -7.521 -7.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -1.016 -6.766 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -1.398 -7.738 -5.835 1.00 0.00 H new ATOM 1457 N ALA B 627 3.236 -2.182 -7.758 1.00 0.00 N ATOM 1458 CA ALA B 627 4.046 -0.975 -8.096 1.00 0.00 C ATOM 1459 C ALA B 627 3.550 -0.311 -9.386 1.00 0.00 C ATOM 1460 O ALA B 627 3.211 -0.969 -10.350 1.00 0.00 O ATOM 1461 CB ALA B 627 5.498 -1.422 -8.292 1.00 0.00 C ATOM 0 H ALA B 627 3.791 -2.998 -7.500 1.00 0.00 H new ATOM 0 HA ALA B 627 3.957 -0.249 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.114 -0.558 -8.541 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.866 -1.877 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.549 -2.149 -9.103 1.00 0.00 H new ATOM 1467 N LYS B 628 3.540 1.004 -9.410 1.00 0.00 N ATOM 1468 CA LYS B 628 3.108 1.759 -10.629 1.00 0.00 C ATOM 1469 C LYS B 628 4.288 2.610 -11.106 1.00 0.00 C ATOM 1470 O LYS B 628 4.544 3.684 -10.594 1.00 0.00 O ATOM 1471 CB LYS B 628 1.927 2.669 -10.282 1.00 0.00 C ATOM 1472 CG LYS B 628 0.844 1.849 -9.577 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.421 2.696 -9.419 1.00 0.00 C ATOM 1474 CE LYS B 628 -1.582 1.801 -8.983 1.00 0.00 C ATOM 1475 NZ LYS B 628 -2.848 2.588 -8.993 1.00 0.00 N ATOM 0 H LYS B 628 3.817 1.592 -8.624 1.00 0.00 H new ATOM 0 HA LYS B 628 2.799 1.066 -11.411 1.00 0.00 H new ATOM 0 HB2 LYS B 628 2.258 3.484 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.524 3.122 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.622 0.950 -10.152 1.00 0.00 H new ATOM 0 HG3 LYS B 628 1.199 1.522 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.256 3.481 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS B 628 -0.662 3.189 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -1.668 0.946 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.395 1.406 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -3.633 1.979 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -3.043 2.944 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -2.753 3.390 -9.648 1.00 0.00 H new ATOM 1489 N CYS B 629 5.031 2.111 -12.055 1.00 0.00 N ATOM 1490 CA CYS B 629 6.228 2.848 -12.559 1.00 0.00 C ATOM 1491 C CYS B 629 5.873 4.267 -13.023 1.00 0.00 C ATOM 1492 O CYS B 629 5.151 4.477 -13.977 1.00 0.00 O ATOM 1493 CB CYS B 629 6.859 2.072 -13.716 1.00 0.00 C ATOM 1494 SG CYS B 629 8.428 2.847 -14.176 1.00 0.00 S ATOM 0 H CYS B 629 4.859 1.214 -12.509 1.00 0.00 H new ATOM 0 HA CYS B 629 6.936 2.935 -11.735 1.00 0.00 H new ATOM 0 HB2 CYS B 629 7.025 1.035 -13.425 1.00 0.00 H new ATOM 0 HB3 CYS B 629 6.183 2.059 -14.571 1.00 0.00 H new ATOM 1499 N SER B 630 6.433 5.234 -12.340 1.00 0.00 N ATOM 1500 CA SER B 630 6.221 6.674 -12.687 1.00 0.00 C ATOM 1501 C SER B 630 7.543 7.411 -12.447 1.00 0.00 C ATOM 1502 O SER B 630 8.385 6.937 -11.710 1.00 0.00 O ATOM 1503 CB SER B 630 5.127 7.266 -11.798 1.00 0.00 C ATOM 1504 OG SER B 630 4.931 8.632 -12.141 1.00 0.00 O ATOM 0 H SER B 630 7.043 5.082 -11.537 1.00 0.00 H new ATOM 0 HA SER B 630 5.911 6.775 -13.727 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.198 6.710 -11.926 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.409 7.179 -10.749 1.00 0.00 H new ATOM 0 HG SER B 630 4.229 9.014 -11.574 1.00 0.00 H new ATOM 1510 N GLU B 631 7.759 8.556 -13.046 1.00 0.00 N ATOM 1511 CA GLU B 631 9.052 9.262 -12.809 1.00 0.00 C ATOM 1512 C GLU B 631 9.144 9.665 -11.336 1.00 0.00 C ATOM 1513 O GLU B 631 10.221 9.831 -10.800 1.00 0.00 O ATOM 1514 CB GLU B 631 9.151 10.500 -13.704 1.00 0.00 C ATOM 1515 CG GLU B 631 8.824 10.118 -15.150 1.00 0.00 C ATOM 1516 CD GLU B 631 9.880 9.143 -15.673 1.00 0.00 C ATOM 1517 OE1 GLU B 631 10.915 9.606 -16.125 1.00 0.00 O ATOM 1518 OE2 GLU B 631 9.637 7.949 -15.615 1.00 0.00 O ATOM 0 H GLU B 631 7.108 9.024 -13.677 1.00 0.00 H new ATOM 0 HA GLU B 631 9.878 8.595 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU B 631 8.461 11.269 -13.356 1.00 0.00 H new ATOM 0 HB3 GLU B 631 10.154 10.923 -13.647 1.00 0.00 H new ATOM 0 HG2 GLU B 631 7.835 9.662 -15.202 1.00 0.00 H new ATOM 0 HG3 GLU B 631 8.796 11.010 -15.775 1.00 0.00 H new ATOM 1525 N ARG B 632 8.034 9.785 -10.665 1.00 0.00 N ATOM 1526 CA ARG B 632 8.083 10.132 -9.216 1.00 0.00 C ATOM 1527 C ARG B 632 8.450 8.857 -8.449 1.00 0.00 C ATOM 1528 O ARG B 632 7.990 8.614 -7.351 1.00 0.00 O ATOM 1529 CB ARG B 632 6.710 10.644 -8.764 1.00 0.00 C ATOM 1530 CG ARG B 632 6.853 11.414 -7.443 1.00 0.00 C ATOM 1531 CD ARG B 632 5.489 11.996 -7.006 1.00 0.00 C ATOM 1532 NE ARG B 632 5.662 13.407 -6.531 1.00 0.00 N ATOM 1533 CZ ARG B 632 6.621 13.732 -5.701 1.00 0.00 C ATOM 1534 NH1 ARG B 632 7.379 12.812 -5.173 1.00 0.00 N ATOM 1535 NH2 ARG B 632 6.796 14.982 -5.373 1.00 0.00 N ATOM 0 H ARG B 632 7.099 9.659 -11.053 1.00 0.00 H new ATOM 0 HA ARG B 632 8.819 10.913 -9.027 1.00 0.00 H new ATOM 0 HB2 ARG B 632 6.283 11.292 -9.529 1.00 0.00 H new ATOM 0 HB3 ARG B 632 6.023 9.807 -8.636 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.237 10.751 -6.668 1.00 0.00 H new ATOM 0 HG3 ARG B 632 7.578 12.219 -7.561 1.00 0.00 H new ATOM 0 HD2 ARG B 632 4.788 11.968 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG B 632 5.062 11.386 -6.210 1.00 0.00 H new ATOM 0 HE ARG B 632 5.020 14.128 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG B 632 7.227 11.831 -5.406 1.00 0.00 H new ATOM 0 HH12 ARG B 632 8.124 13.074 -4.527 1.00 0.00 H new ATOM 0 HH21 ARG B 632 6.187 15.702 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG B 632 7.542 15.240 -4.727 1.00 0.00 H new ATOM 1549 N GLY B 633 9.258 8.028 -9.056 1.00 0.00 N ATOM 1550 CA GLY B 633 9.645 6.744 -8.410 1.00 0.00 C ATOM 1551 C GLY B 633 8.417 5.839 -8.435 1.00 0.00 C ATOM 1552 O GLY B 633 7.434 6.155 -9.077 1.00 0.00 O ATOM 0 H GLY B 633 9.667 8.188 -9.976 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.476 6.280 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.978 6.913 -7.386 1.00 0.00 H new ATOM 1556 N VAL B 634 8.429 4.725 -7.759 1.00 0.00 N ATOM 1557 CA VAL B 634 7.232 3.844 -7.775 1.00 0.00 C ATOM 1558 C VAL B 634 6.166 4.410 -6.842 1.00 0.00 C ATOM 1559 O VAL B 634 6.473 4.909 -5.778 1.00 0.00 O ATOM 1560 CB VAL B 634 7.646 2.459 -7.263 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.267 2.582 -5.868 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.417 1.552 -7.181 1.00 0.00 C ATOM 0 H VAL B 634 9.212 4.389 -7.199 1.00 0.00 H new ATOM 0 HA VAL B 634 6.833 3.780 -8.787 1.00 0.00 H new ATOM 0 HB VAL B 634 8.376 2.033 -7.951 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.558 1.594 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.146 3.224 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.539 3.015 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.714 0.569 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.689 1.987 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL B 634 5.971 1.453 -8.171 1.00 0.00 H new ATOM 1572 N VAL B 635 4.911 4.324 -7.213 1.00 0.00 N ATOM 1573 CA VAL B 635 3.823 4.843 -6.321 1.00 0.00 C ATOM 1574 C VAL B 635 2.681 3.826 -6.288 1.00 0.00 C ATOM 1575 O VAL B 635 2.320 3.249 -7.293 1.00 0.00 O ATOM 1576 CB VAL B 635 3.311 6.186 -6.842 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.443 7.215 -6.808 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.817 6.018 -8.281 1.00 0.00 C ATOM 0 H VAL B 635 4.592 3.918 -8.093 1.00 0.00 H new ATOM 0 HA VAL B 635 4.215 4.989 -5.314 1.00 0.00 H new ATOM 0 HB VAL B 635 2.491 6.530 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.076 8.172 -7.180 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.795 7.335 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.265 6.873 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.451 6.975 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.638 5.673 -8.910 1.00 0.00 H new ATOM 0 HG23 VAL B 635 2.009 5.287 -8.305 1.00 0.00 H new ATOM 1588 N ILE B 636 2.119 3.599 -5.127 1.00 0.00 N ATOM 1589 CA ILE B 636 1.002 2.613 -4.991 1.00 0.00 C ATOM 1590 C ILE B 636 -0.119 3.240 -4.161 1.00 0.00 C ATOM 1591 O ILE B 636 0.107 4.135 -3.374 1.00 0.00 O ATOM 1592 CB ILE B 636 1.515 1.360 -4.276 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.579 0.677 -5.140 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.354 0.393 -4.043 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.320 -0.370 -4.306 1.00 0.00 C ATOM 0 H ILE B 636 2.389 4.060 -4.258 1.00 0.00 H new ATOM 0 HA ILE B 636 0.627 2.344 -5.978 1.00 0.00 H new ATOM 0 HB ILE B 636 1.951 1.644 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.112 0.205 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.282 1.417 -5.522 1.00 0.00 H new ATOM 0 HG21 ILE B 636 0.720 -0.499 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.404 0.877 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE B 636 -0.082 0.111 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.077 -0.856 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE B 636 3.800 0.115 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.612 -1.116 -3.946 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.330 2.788 -4.340 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.466 3.369 -3.564 1.00 0.00 C ATOM 1609 C ASN B 637 -2.618 2.639 -2.226 1.00 0.00 C ATOM 1610 O ASN B 637 -2.602 1.426 -2.155 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.758 3.234 -4.372 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.581 3.908 -5.733 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -3.211 3.268 -6.698 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -3.830 5.183 -5.855 1.00 0.00 N ATOM 0 H ASN B 637 -1.583 2.043 -4.989 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.264 4.423 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -4.008 2.181 -4.505 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.587 3.692 -3.832 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -3.714 5.641 -6.759 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -4.141 5.722 -5.046 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.776 3.388 -1.165 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.945 2.780 0.186 1.00 0.00 C ATOM 1623 C ALA B 638 -3.986 1.658 0.145 1.00 0.00 C ATOM 1624 O ALA B 638 -4.139 0.914 1.093 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.389 3.850 1.181 1.00 0.00 C ATOM 0 H ALA B 638 -2.795 4.408 -1.179 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.989 2.361 0.500 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.511 3.402 2.167 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.635 4.636 1.231 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.338 4.277 0.856 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.691 1.517 -0.938 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.706 0.427 -1.024 1.00 0.00 C ATOM 1633 C GLU B 639 -5.013 -0.920 -1.266 1.00 0.00 C ATOM 1634 O GLU B 639 -5.567 -1.960 -0.973 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.692 0.719 -2.157 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.816 -0.318 -2.136 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.822 0.002 -3.244 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.405 0.098 -4.387 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.992 0.144 -2.929 1.00 0.00 O ATOM 0 H GLU B 639 -4.612 2.106 -1.767 1.00 0.00 H new ATOM 0 HA GLU B 639 -6.252 0.378 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -7.105 1.721 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.177 0.693 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.406 -1.318 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.313 -0.313 -1.166 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.798 -0.934 -1.745 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.103 -2.245 -1.945 1.00 0.00 C ATOM 1648 C ASP B 640 -2.397 -2.651 -0.646 1.00 0.00 C ATOM 1649 O ASP B 640 -2.544 -3.763 -0.179 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.091 -2.140 -3.086 1.00 0.00 C ATOM 1651 CG ASP B 640 -2.811 -1.736 -4.373 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -3.963 -2.108 -4.525 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.199 -1.062 -5.185 1.00 0.00 O ATOM 0 H ASP B 640 -3.260 -0.107 -2.005 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.839 -3.005 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -1.325 -1.405 -2.840 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.584 -3.095 -3.225 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.644 -1.772 -0.047 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.958 -2.137 1.228 1.00 0.00 C ATOM 1660 C VAL B 641 -2.018 -2.447 2.303 1.00 0.00 C ATOM 1661 O VAL B 641 -1.944 -3.456 2.974 1.00 0.00 O ATOM 1662 CB VAL B 641 -0.039 -0.980 1.672 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.695 0.356 1.363 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.258 -1.069 3.174 1.00 0.00 C ATOM 0 H VAL B 641 -1.473 -0.823 -0.380 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.341 -3.024 1.081 1.00 0.00 H new ATOM 0 HB VAL B 641 0.899 -1.060 1.123 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.038 1.166 1.680 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -0.875 0.434 0.291 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.643 0.428 1.896 1.00 0.00 H new ATOM 0 HG21 VAL B 641 0.908 -0.244 3.466 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -0.676 -1.011 3.734 1.00 0.00 H new ATOM 0 HG23 VAL B 641 0.753 -2.015 3.391 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.990 -1.592 2.485 1.00 0.00 N ATOM 1675 CA GLN B 642 -4.020 -1.863 3.531 1.00 0.00 C ATOM 1676 C GLN B 642 -4.681 -3.222 3.272 1.00 0.00 C ATOM 1677 O GLN B 642 -4.980 -3.952 4.194 1.00 0.00 O ATOM 1678 CB GLN B 642 -5.071 -0.742 3.551 1.00 0.00 C ATOM 1679 CG GLN B 642 -6.046 -0.885 2.373 1.00 0.00 C ATOM 1680 CD GLN B 642 -7.142 -1.901 2.713 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -7.432 -2.785 1.930 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -7.767 -1.811 3.855 1.00 0.00 N ATOM 0 H GLN B 642 -3.115 -0.726 1.961 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.536 -1.891 4.507 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -5.623 -0.772 4.491 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -4.576 0.228 3.503 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -6.495 0.082 2.143 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.506 -1.206 1.482 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -7.524 -1.070 4.512 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -8.498 -2.482 4.090 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.886 -3.587 2.033 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.496 -4.919 1.747 1.00 0.00 C ATOM 1693 C LEU B 643 -4.405 -5.994 1.880 1.00 0.00 C ATOM 1694 O LEU B 643 -4.692 -7.163 2.046 1.00 0.00 O ATOM 1695 CB LEU B 643 -6.097 -4.921 0.323 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.385 -5.758 0.276 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.952 -5.734 -1.146 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.083 -7.204 0.684 1.00 0.00 C ATOM 0 H LEU B 643 -4.659 -3.025 1.213 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.298 -5.130 2.454 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -6.311 -3.898 0.012 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.370 -5.323 -0.383 1.00 0.00 H new ATOM 0 HG LEU B 643 -8.114 -5.338 0.969 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.866 -6.327 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -8.174 -4.706 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.220 -6.152 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.001 -7.791 0.648 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -6.352 -7.631 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -6.681 -7.220 1.697 1.00 0.00 H new ATOM 1710 N ALA B 644 -3.158 -5.611 1.843 1.00 0.00 N ATOM 1711 CA ALA B 644 -2.063 -6.616 2.005 1.00 0.00 C ATOM 1712 C ALA B 644 -1.748 -6.786 3.495 1.00 0.00 C ATOM 1713 O ALA B 644 -1.767 -7.881 4.022 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.810 -6.143 1.268 1.00 0.00 C ATOM 0 H ALA B 644 -2.848 -4.649 1.708 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.384 -7.570 1.587 1.00 0.00 H new ATOM 0 HB1 ALA B 644 -0.016 -6.880 1.390 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -1.035 -6.024 0.208 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.485 -5.188 1.680 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.460 -5.715 4.177 1.00 0.00 N ATOM 1721 CA LEU B 645 -1.141 -5.813 5.632 1.00 0.00 C ATOM 1722 C LEU B 645 -2.343 -6.367 6.409 1.00 0.00 C ATOM 1723 O LEU B 645 -2.184 -6.931 7.472 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.790 -4.421 6.167 1.00 0.00 C ATOM 1725 CG LEU B 645 0.592 -3.981 5.648 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.807 -2.500 5.990 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.708 -4.823 6.303 1.00 0.00 C ATOM 0 H LEU B 645 -1.431 -4.771 3.791 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.296 -6.488 5.763 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.548 -3.703 5.856 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.790 -4.432 7.257 1.00 0.00 H new ATOM 0 HG LEU B 645 0.630 -4.128 4.569 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.783 -2.181 5.626 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.029 -1.901 5.517 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.761 -2.366 7.071 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.678 -4.499 5.925 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.677 -4.690 7.384 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.558 -5.876 6.063 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.539 -6.215 5.905 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.731 -6.742 6.644 1.00 0.00 C ATOM 1741 C ASN B 646 -5.056 -8.164 6.167 1.00 0.00 C ATOM 1742 O ASN B 646 -5.867 -8.853 6.755 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.936 -5.827 6.388 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.424 -5.989 4.945 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -5.830 -6.706 4.165 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -7.492 -5.346 4.555 1.00 0.00 N ATOM 0 H ASN B 646 -3.745 -5.752 5.020 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.510 -6.766 7.711 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -6.741 -6.070 7.082 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.660 -4.789 6.572 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -7.826 -5.446 3.597 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -7.992 -4.744 5.209 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.432 -8.604 5.102 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.702 -9.980 4.573 1.00 0.00 C ATOM 1755 C LYS B 647 -3.549 -10.909 4.955 1.00 0.00 C ATOM 1756 O LYS B 647 -3.643 -12.113 4.823 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.817 -9.920 3.048 1.00 0.00 C ATOM 1758 CG LYS B 647 -5.141 -11.315 2.505 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.627 -11.202 1.056 1.00 0.00 C ATOM 1760 CE LYS B 647 -4.500 -10.664 0.168 1.00 0.00 C ATOM 1761 NZ LYS B 647 -4.413 -9.183 0.319 1.00 0.00 N ATOM 0 H LYS B 647 -3.744 -8.068 4.573 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.631 -10.358 4.999 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -5.597 -9.215 2.759 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.884 -9.558 2.616 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -4.256 -11.950 2.554 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.907 -11.787 3.120 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -5.952 -12.178 0.695 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -6.491 -10.539 1.004 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -3.552 -11.125 0.446 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -4.688 -10.924 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -4.654 -8.727 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -5.079 -8.869 1.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -3.445 -8.918 0.593 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.463 -10.354 5.431 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.287 -11.186 5.835 1.00 0.00 C ATOM 1777 C HIS B 648 -1.130 -11.119 7.353 1.00 0.00 C ATOM 1778 O HIS B 648 -0.176 -11.621 7.916 1.00 0.00 O ATOM 1779 CB HIS B 648 -0.027 -10.629 5.171 1.00 0.00 C ATOM 1780 CG HIS B 648 -0.124 -10.811 3.681 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.348 -12.050 3.101 1.00 0.00 N ATOM 1782 CD2 HIS B 648 -0.032 -9.921 2.640 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.382 -11.873 1.768 1.00 0.00 C ATOM 1784 NE2 HIS B 648 -0.195 -10.593 1.433 1.00 0.00 N ATOM 0 H HIS B 648 -2.339 -9.350 5.558 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.438 -12.220 5.525 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.088 -9.572 5.412 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.856 -11.141 5.554 1.00 0.00 H new ATOM 0 HD2 HIS B 648 0.141 -8.860 2.743 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.541 -12.669 1.055 1.00 0.00 H new ATOM 0 HE2 HIS B 648 -0.176 -10.194 0.494 1.00 0.00 H new ATOM 1792 N MET B 649 -2.064 -10.493 8.021 1.00 0.00 N ATOM 1793 CA MET B 649 -1.989 -10.373 9.507 1.00 0.00 C ATOM 1794 C MET B 649 -2.830 -11.476 10.152 1.00 0.00 C ATOM 1795 O MET B 649 -3.980 -11.675 9.812 1.00 0.00 O ATOM 1796 CB MET B 649 -2.534 -9.005 9.926 1.00 0.00 C ATOM 1797 CG MET B 649 -2.505 -8.878 11.450 1.00 0.00 C ATOM 1798 SD MET B 649 -2.632 -7.132 11.913 1.00 0.00 S ATOM 1799 CE MET B 649 -0.872 -6.728 11.782 1.00 0.00 C ATOM 0 H MET B 649 -2.882 -10.056 7.597 1.00 0.00 H new ATOM 0 HA MET B 649 -0.953 -10.473 9.832 1.00 0.00 H new ATOM 0 HB2 MET B 649 -1.937 -8.212 9.475 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.554 -8.883 9.561 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.328 -9.442 11.888 1.00 0.00 H new ATOM 0 HG3 MET B 649 -1.582 -9.303 11.844 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.759 -5.686 11.482 1.00 0.00 H new ATOM 0 HE2 MET B 649 -0.390 -6.882 12.748 1.00 0.00 H new ATOM 0 HE3 MET B 649 -0.405 -7.372 11.037 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.264 -12.197 11.081 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.027 -13.288 11.750 1.00 0.00 C ATOM 1811 C ASN B 650 -4.199 -12.687 12.530 1.00 0.00 C ATOM 1812 O ASN B 650 -4.002 -11.658 13.155 1.00 0.00 O ATOM 1813 CB ASN B 650 -2.104 -14.037 12.713 1.00 0.00 C ATOM 1814 CG ASN B 650 -2.847 -15.234 13.309 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -2.270 -16.026 14.027 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -4.114 -15.399 13.041 1.00 0.00 N ATOM 1817 OXT ASN B 650 -5.272 -13.266 12.487 1.00 0.00 O ATOM 0 H ASN B 650 -1.305 -12.077 11.406 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.408 -13.980 10.999 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -1.211 -14.375 12.188 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -1.772 -13.369 13.508 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -4.619 -16.193 13.434 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -4.599 -14.734 12.438 1.00 0.00 H new