USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=12 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 Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 152:sc= -0.231 (180deg=-1.32!) USER MOD Single : A 306 MET CE :methyl -144:sc= -0.808 (180deg=-3.39!) USER MOD Single : A 307 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 308 GLN : amide:sc= -0.213 K(o=-0.21,f=-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 -7:sc= 0.193 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot -31:sc= 0.595 USER MOD Single : B 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 626 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.105) USER MOD Single : B 628 LYS NZ :NH3+ 133:sc= 0.545 (180deg=0.17) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -0.756 K(o=-0.76,f=-0.05) USER MOD Single : B 642 GLN : amide:sc= -0.546 K(o=-0.55,f=-3.2!) USER MOD Single : B 646 ASN : amide:sc= -2.42 K(o=-2.4,f=-7!) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HE2:sc= -0.748 K(o=-0.75,f=-2!) USER MOD Single : B 649 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 650 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 17.740 -3.037 -1.700 1.00 0.00 N ATOM 339 CA GLU A 301 17.354 -4.214 -2.534 1.00 0.00 C ATOM 340 C GLU A 301 15.835 -4.245 -2.556 1.00 0.00 C ATOM 341 O GLU A 301 15.196 -4.723 -3.475 1.00 0.00 O ATOM 342 CB GLU A 301 17.877 -5.495 -1.880 1.00 0.00 C ATOM 343 CG GLU A 301 19.406 -5.465 -1.847 1.00 0.00 C ATOM 344 CD GLU A 301 19.925 -6.729 -1.160 1.00 0.00 C ATOM 345 OE1 GLU A 301 19.348 -7.781 -1.383 1.00 0.00 O ATOM 346 OE2 GLU A 301 20.892 -6.623 -0.423 1.00 0.00 O ATOM 0 HA GLU A 301 17.768 -4.142 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 301 17.483 -5.586 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 301 17.532 -6.367 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 301 19.801 -5.401 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 301 19.752 -4.580 -1.313 1.00 0.00 H new ATOM 353 N PHE A 302 15.272 -3.666 -1.532 1.00 0.00 N ATOM 354 CA PHE A 302 13.798 -3.583 -1.429 1.00 0.00 C ATOM 355 C PHE A 302 13.277 -2.516 -2.390 1.00 0.00 C ATOM 356 O PHE A 302 12.549 -2.809 -3.318 1.00 0.00 O ATOM 357 CB PHE A 302 13.410 -3.231 0.012 1.00 0.00 C ATOM 358 CG PHE A 302 11.928 -3.449 0.217 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.030 -2.407 -0.033 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.453 -4.691 0.663 1.00 0.00 C ATOM 361 CE1 PHE A 302 9.657 -2.603 0.160 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.079 -4.887 0.856 1.00 0.00 C ATOM 363 CZ PHE A 302 9.182 -3.842 0.604 1.00 0.00 C ATOM 0 H PHE A 302 15.781 -3.243 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 302 13.356 -4.543 -1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 302 13.976 -3.847 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.666 -2.193 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.396 -1.450 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.146 -5.496 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 302 8.964 -1.797 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 302 9.712 -5.843 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.123 -3.992 0.752 1.00 0.00 H new ATOM 373 N CYS A 303 13.641 -1.284 -2.185 1.00 0.00 N ATOM 374 CA CYS A 303 13.156 -0.215 -3.099 1.00 0.00 C ATOM 375 C CYS A 303 13.842 -0.357 -4.465 1.00 0.00 C ATOM 376 O CYS A 303 13.218 -0.253 -5.502 1.00 0.00 O ATOM 377 CB CYS A 303 13.481 1.153 -2.498 1.00 0.00 C ATOM 378 SG CYS A 303 12.385 1.465 -1.092 1.00 0.00 S ATOM 0 H CYS A 303 14.250 -0.971 -1.429 1.00 0.00 H new ATOM 0 HA CYS A 303 12.077 -0.306 -3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.522 1.183 -2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 303 13.357 1.932 -3.250 1.00 0.00 H new ATOM 383 N SER A 304 15.129 -0.573 -4.464 1.00 0.00 N ATOM 384 CA SER A 304 15.887 -0.702 -5.744 1.00 0.00 C ATOM 385 C SER A 304 15.272 -1.772 -6.660 1.00 0.00 C ATOM 386 O SER A 304 15.377 -1.681 -7.871 1.00 0.00 O ATOM 387 CB SER A 304 17.334 -1.084 -5.432 1.00 0.00 C ATOM 388 OG SER A 304 18.067 -1.182 -6.648 1.00 0.00 O ATOM 0 H SER A 304 15.696 -0.667 -3.621 1.00 0.00 H new ATOM 0 HA SER A 304 15.844 0.256 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 304 17.787 -0.337 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.364 -2.034 -4.898 1.00 0.00 H new ATOM 0 HG SER A 304 18.996 -1.425 -6.451 1.00 0.00 H new ATOM 394 N LYS A 305 14.589 -2.759 -6.113 1.00 0.00 N ATOM 395 CA LYS A 305 13.948 -3.793 -7.002 1.00 0.00 C ATOM 396 C LYS A 305 12.484 -3.413 -7.201 1.00 0.00 C ATOM 397 O LYS A 305 11.813 -3.890 -8.105 1.00 0.00 O ATOM 398 CB LYS A 305 14.075 -5.196 -6.403 1.00 0.00 C ATOM 399 CG LYS A 305 15.558 -5.558 -6.255 1.00 0.00 C ATOM 400 CD LYS A 305 15.712 -6.835 -5.413 1.00 0.00 C ATOM 401 CE LYS A 305 15.404 -8.070 -6.265 1.00 0.00 C ATOM 402 NZ LYS A 305 16.292 -8.085 -7.462 1.00 0.00 N ATOM 0 H LYS A 305 14.449 -2.893 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 305 14.459 -3.814 -7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 305 13.582 -5.234 -5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 305 13.575 -5.923 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.003 -5.707 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.095 -4.735 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.726 -6.900 -5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.039 -6.798 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 305 15.553 -8.976 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.359 -8.059 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 16.444 -9.067 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 15.846 -7.547 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 17.206 -7.652 -7.221 1.00 0.00 H new ATOM 416 N MET A 306 11.989 -2.511 -6.414 1.00 0.00 N ATOM 417 CA MET A 306 10.593 -2.074 -6.618 1.00 0.00 C ATOM 418 C MET A 306 10.565 -1.220 -7.876 1.00 0.00 C ATOM 419 O MET A 306 9.552 -1.132 -8.541 1.00 0.00 O ATOM 420 CB MET A 306 10.112 -1.244 -5.426 1.00 0.00 C ATOM 421 CG MET A 306 9.760 -2.165 -4.247 1.00 0.00 C ATOM 422 SD MET A 306 8.034 -2.692 -4.399 1.00 0.00 S ATOM 423 CE MET A 306 7.766 -3.181 -2.675 1.00 0.00 C ATOM 0 H MET A 306 12.486 -2.061 -5.645 1.00 0.00 H new ATOM 0 HA MET A 306 9.937 -2.939 -6.714 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.888 -0.539 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 306 9.240 -0.656 -5.711 1.00 0.00 H new ATOM 0 HG2 MET A 306 10.419 -3.033 -4.239 1.00 0.00 H new ATOM 0 HG3 MET A 306 9.911 -1.641 -3.303 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.112 -4.053 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 306 8.722 -3.427 -2.214 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.302 -2.358 -2.131 1.00 0.00 H new ATOM 433 N ASN A 307 11.673 -0.592 -8.230 1.00 0.00 N ATOM 434 CA ASN A 307 11.659 0.240 -9.469 1.00 0.00 C ATOM 435 C ASN A 307 11.931 -0.708 -10.637 1.00 0.00 C ATOM 436 O ASN A 307 11.336 -0.609 -11.690 1.00 0.00 O ATOM 437 CB ASN A 307 12.726 1.334 -9.401 1.00 0.00 C ATOM 438 CG ASN A 307 12.749 2.106 -10.723 1.00 0.00 C ATOM 439 OD1 ASN A 307 11.715 2.475 -11.243 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.895 2.366 -11.291 1.00 0.00 N ATOM 0 H ASN A 307 12.559 -0.622 -7.725 1.00 0.00 H new ATOM 0 HA ASN A 307 10.699 0.742 -9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 307 12.514 2.013 -8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.704 0.892 -9.208 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.923 2.879 -12.172 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.763 2.056 -10.854 1.00 0.00 H new ATOM 447 N GLN A 308 12.835 -1.658 -10.417 1.00 0.00 N ATOM 448 CA GLN A 308 13.169 -2.677 -11.474 1.00 0.00 C ATOM 449 C GLN A 308 11.893 -3.049 -12.228 1.00 0.00 C ATOM 450 O GLN A 308 11.888 -3.204 -13.433 1.00 0.00 O ATOM 451 CB GLN A 308 13.728 -3.947 -10.806 1.00 0.00 C ATOM 452 CG GLN A 308 15.209 -3.750 -10.455 1.00 0.00 C ATOM 453 CD GLN A 308 16.045 -3.732 -11.737 1.00 0.00 C ATOM 454 OE1 GLN A 308 15.595 -4.177 -12.774 1.00 0.00 O ATOM 455 NE2 GLN A 308 17.251 -3.236 -11.709 1.00 0.00 N ATOM 0 H GLN A 308 13.353 -1.765 -9.545 1.00 0.00 H new ATOM 0 HA GLN A 308 13.908 -2.260 -12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 308 13.159 -4.173 -9.904 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.615 -4.799 -11.476 1.00 0.00 H new ATOM 0 HG2 GLN A 308 15.342 -2.816 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 308 15.547 -4.553 -9.800 1.00 0.00 H new ATOM 0 HE21 GLN A 308 17.629 -2.862 -10.838 1.00 0.00 H new ATOM 0 HE22 GLN A 308 17.816 -3.222 -12.558 1.00 0.00 H new ATOM 464 N VAL A 309 10.808 -3.181 -11.511 1.00 0.00 N ATOM 465 CA VAL A 309 9.509 -3.528 -12.168 1.00 0.00 C ATOM 466 C VAL A 309 9.300 -2.641 -13.404 1.00 0.00 C ATOM 467 O VAL A 309 8.444 -2.896 -14.228 1.00 0.00 O ATOM 468 CB VAL A 309 8.362 -3.285 -11.185 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.081 -3.916 -11.732 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.701 -3.914 -9.834 1.00 0.00 C ATOM 0 H VAL A 309 10.763 -3.064 -10.499 1.00 0.00 H new ATOM 0 HA VAL A 309 9.528 -4.576 -12.467 1.00 0.00 H new ATOM 0 HB VAL A 309 8.216 -2.212 -11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.263 -3.744 -11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 309 6.836 -3.467 -12.694 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.229 -4.988 -11.860 1.00 0.00 H new ATOM 0 HG21 VAL A 309 7.882 -3.739 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 309 8.849 -4.987 -9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.614 -3.465 -9.442 1.00 0.00 H new ATOM 480 N CYS A 310 10.088 -1.611 -13.539 1.00 0.00 N ATOM 481 CA CYS A 310 9.957 -0.708 -14.717 1.00 0.00 C ATOM 482 C CYS A 310 10.578 -1.384 -15.946 1.00 0.00 C ATOM 483 O CYS A 310 9.915 -1.619 -16.937 1.00 0.00 O ATOM 484 CB CYS A 310 10.680 0.614 -14.424 1.00 0.00 C ATOM 485 SG CYS A 310 9.926 1.941 -15.399 1.00 0.00 S ATOM 0 H CYS A 310 10.822 -1.354 -12.879 1.00 0.00 H new ATOM 0 HA CYS A 310 8.904 -0.505 -14.914 1.00 0.00 H new ATOM 0 HB2 CYS A 310 10.617 0.848 -13.361 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.738 0.524 -14.669 1.00 0.00 H new ATOM 490 N GLY A 311 11.844 -1.699 -15.889 1.00 0.00 N ATOM 491 CA GLY A 311 12.503 -2.360 -17.054 1.00 0.00 C ATOM 492 C GLY A 311 12.234 -3.865 -17.008 1.00 0.00 C ATOM 493 O GLY A 311 12.634 -4.548 -16.086 1.00 0.00 O ATOM 0 H GLY A 311 12.451 -1.528 -15.087 1.00 0.00 H new ATOM 0 HA2 GLY A 311 12.124 -1.941 -17.986 1.00 0.00 H new ATOM 0 HA3 GLY A 311 13.576 -2.171 -17.033 1.00 0.00 H new ATOM 928 N GLY B 593 -6.921 5.775 -1.826 1.00 0.00 N ATOM 929 CA GLY B 593 -5.585 5.453 -1.245 1.00 0.00 C ATOM 930 C GLY B 593 -4.550 6.451 -1.766 1.00 0.00 C ATOM 931 O GLY B 593 -4.408 6.648 -2.956 1.00 0.00 O ATOM 0 HA2 GLY B 593 -5.630 5.494 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -5.295 4.437 -1.514 1.00 0.00 H new ATOM 935 N SER B 594 -3.829 7.085 -0.883 1.00 0.00 N ATOM 936 CA SER B 594 -2.805 8.070 -1.330 1.00 0.00 C ATOM 937 C SER B 594 -1.649 7.348 -2.010 1.00 0.00 C ATOM 938 O SER B 594 -1.511 6.145 -1.927 1.00 0.00 O ATOM 939 CB SER B 594 -2.262 8.851 -0.137 1.00 0.00 C ATOM 940 OG SER B 594 -3.285 9.686 0.388 1.00 0.00 O ATOM 0 H SER B 594 -3.905 6.964 0.127 1.00 0.00 H new ATOM 0 HA SER B 594 -3.277 8.758 -2.031 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.909 8.163 0.631 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.407 9.454 -0.442 1.00 0.00 H new ATOM 0 HG SER B 594 -2.937 10.187 1.155 1.00 0.00 H new ATOM 946 N LEU B 595 -0.816 8.086 -2.683 1.00 0.00 N ATOM 947 CA LEU B 595 0.350 7.483 -3.382 1.00 0.00 C ATOM 948 C LEU B 595 1.546 7.463 -2.426 1.00 0.00 C ATOM 949 O LEU B 595 2.005 8.497 -1.984 1.00 0.00 O ATOM 950 CB LEU B 595 0.681 8.353 -4.596 1.00 0.00 C ATOM 951 CG LEU B 595 -0.269 8.019 -5.749 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.717 8.111 -5.263 1.00 0.00 C ATOM 953 CD2 LEU B 595 -0.052 9.014 -6.891 1.00 0.00 C ATOM 0 H LEU B 595 -0.895 9.098 -2.780 1.00 0.00 H new ATOM 0 HA LEU B 595 0.124 6.465 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.593 9.407 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.713 8.186 -4.904 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.069 7.008 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -2.392 7.873 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -1.873 7.404 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.918 9.122 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -0.728 8.778 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -0.252 10.025 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU B 595 0.979 8.949 -7.239 1.00 0.00 H new ATOM 965 N LEU B 596 2.053 6.295 -2.103 1.00 0.00 N ATOM 966 CA LEU B 596 3.224 6.202 -1.169 1.00 0.00 C ATOM 967 C LEU B 596 4.316 5.341 -1.827 1.00 0.00 C ATOM 968 O LEU B 596 4.035 4.415 -2.560 1.00 0.00 O ATOM 969 CB LEU B 596 2.785 5.585 0.190 1.00 0.00 C ATOM 970 CG LEU B 596 1.247 5.625 0.339 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.627 4.407 -0.362 1.00 0.00 C ATOM 972 CD2 LEU B 596 0.873 5.591 1.828 1.00 0.00 C ATOM 0 H LEU B 596 1.706 5.400 -2.447 1.00 0.00 H new ATOM 0 HA LEU B 596 3.617 7.199 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU B 596 3.135 4.555 0.257 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.249 6.133 1.010 1.00 0.00 H new ATOM 0 HG LEU B 596 0.868 6.541 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.457 4.438 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.888 4.424 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU B 596 1.010 3.493 0.091 1.00 0.00 H new ATOM 0 HD21 LEU B 596 -0.212 5.619 1.931 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.257 4.676 2.279 1.00 0.00 H new ATOM 0 HD23 LEU B 596 1.308 6.454 2.332 1.00 0.00 H new ATOM 984 N ARG B 597 5.559 5.652 -1.570 1.00 0.00 N ATOM 985 CA ARG B 597 6.676 4.869 -2.181 1.00 0.00 C ATOM 986 C ARG B 597 6.872 3.552 -1.412 1.00 0.00 C ATOM 987 O ARG B 597 6.055 3.156 -0.605 1.00 0.00 O ATOM 988 CB ARG B 597 7.972 5.718 -2.148 1.00 0.00 C ATOM 989 CG ARG B 597 8.231 6.356 -3.528 1.00 0.00 C ATOM 990 CD ARG B 597 9.461 7.298 -3.476 1.00 0.00 C ATOM 991 NE ARG B 597 10.410 6.986 -4.602 1.00 0.00 N ATOM 992 CZ ARG B 597 10.890 5.783 -4.786 1.00 0.00 C ATOM 993 NH1 ARG B 597 10.625 4.830 -3.936 1.00 0.00 N ATOM 994 NH2 ARG B 597 11.662 5.542 -5.810 1.00 0.00 N ATOM 0 H ARG B 597 5.851 6.417 -0.961 1.00 0.00 H new ATOM 0 HA ARG B 597 6.435 4.629 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG B 597 7.885 6.497 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.818 5.091 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG B 597 8.397 5.575 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG B 597 7.351 6.916 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG B 597 9.135 8.336 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG B 597 9.972 7.186 -2.520 1.00 0.00 H new ATOM 0 HE ARG B 597 10.686 7.733 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG B 597 10.040 5.021 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG B 597 11.002 3.894 -4.085 1.00 0.00 H new ATOM 0 HH21 ARG B 597 11.890 6.291 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG B 597 12.038 4.605 -5.956 1.00 0.00 H new ATOM 1008 N CYS B 598 7.947 2.863 -1.690 1.00 0.00 N ATOM 1009 CA CYS B 598 8.215 1.557 -1.020 1.00 0.00 C ATOM 1010 C CYS B 598 8.447 1.756 0.481 1.00 0.00 C ATOM 1011 O CYS B 598 7.519 1.746 1.265 1.00 0.00 O ATOM 1012 CB CYS B 598 9.457 0.927 -1.653 1.00 0.00 C ATOM 1013 SG CYS B 598 10.705 2.208 -1.930 1.00 0.00 S ATOM 0 H CYS B 598 8.659 3.153 -2.361 1.00 0.00 H new ATOM 0 HA CYS B 598 7.352 0.904 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS B 598 9.856 0.150 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.195 0.449 -2.597 1.00 0.00 H new ATOM 1018 N SER B 599 9.682 1.922 0.889 1.00 0.00 N ATOM 1019 CA SER B 599 9.977 2.108 2.344 1.00 0.00 C ATOM 1020 C SER B 599 8.984 3.105 2.941 1.00 0.00 C ATOM 1021 O SER B 599 8.786 3.179 4.146 1.00 0.00 O ATOM 1022 CB SER B 599 11.400 2.642 2.512 1.00 0.00 C ATOM 1023 OG SER B 599 11.579 3.083 3.852 1.00 0.00 O ATOM 0 H SER B 599 10.498 1.937 0.277 1.00 0.00 H new ATOM 0 HA SER B 599 9.886 1.152 2.859 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.124 1.863 2.273 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.577 3.465 1.819 1.00 0.00 H new ATOM 0 HG SER B 599 12.490 3.425 3.965 1.00 0.00 H new ATOM 1029 N GLU B 600 8.343 3.866 2.101 1.00 0.00 N ATOM 1030 CA GLU B 600 7.351 4.850 2.595 1.00 0.00 C ATOM 1031 C GLU B 600 6.423 4.149 3.589 1.00 0.00 C ATOM 1032 O GLU B 600 6.038 4.680 4.618 1.00 0.00 O ATOM 1033 CB GLU B 600 6.522 5.349 1.400 1.00 0.00 C ATOM 1034 CG GLU B 600 5.907 6.715 1.727 1.00 0.00 C ATOM 1035 CD GLU B 600 4.951 6.576 2.914 1.00 0.00 C ATOM 1036 OE1 GLU B 600 4.294 5.553 3.005 1.00 0.00 O ATOM 1037 OE2 GLU B 600 4.891 7.497 3.712 1.00 0.00 O ATOM 0 H GLU B 600 8.466 3.846 1.089 1.00 0.00 H new ATOM 0 HA GLU B 600 7.852 5.688 3.079 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.154 5.427 0.515 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.735 4.632 1.167 1.00 0.00 H new ATOM 0 HG2 GLU B 600 6.693 7.432 1.962 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.372 7.102 0.859 1.00 0.00 H new ATOM 1044 N ILE B 601 6.042 2.942 3.247 1.00 0.00 N ATOM 1045 CA ILE B 601 5.114 2.186 4.114 1.00 0.00 C ATOM 1046 C ILE B 601 5.836 1.876 5.429 1.00 0.00 C ATOM 1047 O ILE B 601 5.249 1.869 6.491 1.00 0.00 O ATOM 1048 CB ILE B 601 4.672 0.890 3.363 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.181 0.977 2.982 1.00 0.00 C ATOM 1050 CG2 ILE B 601 4.885 -0.373 4.210 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.009 1.955 1.819 1.00 0.00 C ATOM 0 H ILE B 601 6.340 2.455 2.401 1.00 0.00 H new ATOM 0 HA ILE B 601 4.216 2.759 4.344 1.00 0.00 H new ATOM 0 HB ILE B 601 5.293 0.817 2.470 1.00 0.00 H new ATOM 0 HG12 ILE B 601 2.808 -0.008 2.701 1.00 0.00 H new ATOM 0 HG13 ILE B 601 2.594 1.307 3.839 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.563 -1.248 3.646 1.00 0.00 H new ATOM 0 HG22 ILE B 601 5.942 -0.470 4.459 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.301 -0.298 5.128 1.00 0.00 H new ATOM 0 HD11 ILE B 601 1.955 2.017 1.549 1.00 0.00 H new ATOM 0 HD12 ILE B 601 3.366 2.941 2.117 1.00 0.00 H new ATOM 0 HD13 ILE B 601 3.583 1.605 0.961 1.00 0.00 H new ATOM 1063 N TRP B 602 7.125 1.617 5.345 1.00 0.00 N ATOM 1064 CA TRP B 602 7.919 1.307 6.572 1.00 0.00 C ATOM 1065 C TRP B 602 7.537 2.309 7.645 1.00 0.00 C ATOM 1066 O TRP B 602 7.354 1.969 8.797 1.00 0.00 O ATOM 1067 CB TRP B 602 9.417 1.420 6.268 1.00 0.00 C ATOM 1068 CG TRP B 602 10.203 0.797 7.378 1.00 0.00 C ATOM 1069 CD1 TRP B 602 10.423 1.366 8.584 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.876 -0.495 7.405 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.187 0.505 9.352 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.492 -0.656 8.669 1.00 0.00 C ATOM 1073 CE3 TRP B 602 11.011 -1.535 6.466 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.214 -1.805 8.990 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.738 -2.693 6.785 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.339 -2.828 8.045 1.00 0.00 C ATOM 0 H TRP B 602 7.657 1.608 4.475 1.00 0.00 H new ATOM 0 HA TRP B 602 7.710 0.292 6.909 1.00 0.00 H new ATOM 0 HB2 TRP B 602 9.645 0.924 5.325 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.697 2.467 6.154 1.00 0.00 H new ATOM 0 HD1 TRP B 602 10.062 2.334 8.897 1.00 0.00 H new ATOM 0 HE1 TRP B 602 11.488 0.704 10.306 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.552 -1.441 5.493 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.674 -1.904 9.962 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.835 -3.484 6.056 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.897 -3.721 8.285 1.00 0.00 H new ATOM 1087 N ASP B 603 7.370 3.545 7.266 1.00 0.00 N ATOM 1088 CA ASP B 603 6.948 4.560 8.262 1.00 0.00 C ATOM 1089 C ASP B 603 5.541 4.192 8.734 1.00 0.00 C ATOM 1090 O ASP B 603 5.232 4.252 9.906 1.00 0.00 O ATOM 1091 CB ASP B 603 6.933 5.945 7.611 1.00 0.00 C ATOM 1092 CG ASP B 603 8.341 6.294 7.127 1.00 0.00 C ATOM 1093 OD1 ASP B 603 9.214 6.452 7.964 1.00 0.00 O ATOM 1094 OD2 ASP B 603 8.524 6.398 5.925 1.00 0.00 O ATOM 0 H ASP B 603 7.507 3.892 6.317 1.00 0.00 H new ATOM 0 HA ASP B 603 7.639 4.581 9.105 1.00 0.00 H new ATOM 0 HB2 ASP B 603 6.235 5.958 6.774 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.587 6.691 8.326 1.00 0.00 H new ATOM 1099 N ARG B 604 4.691 3.791 7.821 1.00 0.00 N ATOM 1100 CA ARG B 604 3.300 3.394 8.208 1.00 0.00 C ATOM 1101 C ARG B 604 3.360 2.243 9.223 1.00 0.00 C ATOM 1102 O ARG B 604 2.528 2.117 10.099 1.00 0.00 O ATOM 1103 CB ARG B 604 2.541 2.919 6.962 1.00 0.00 C ATOM 1104 CG ARG B 604 1.030 2.830 7.260 1.00 0.00 C ATOM 1105 CD ARG B 604 0.361 4.191 7.022 1.00 0.00 C ATOM 1106 NE ARG B 604 -1.097 4.085 7.307 1.00 0.00 N ATOM 1107 CZ ARG B 604 -1.808 5.167 7.470 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -1.242 6.340 7.384 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -3.086 5.077 7.720 1.00 0.00 N ATOM 0 H ARG B 604 4.899 3.721 6.825 1.00 0.00 H new ATOM 0 HA ARG B 604 2.790 4.250 8.650 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.716 3.608 6.136 1.00 0.00 H new ATOM 0 HB3 ARG B 604 2.915 1.944 6.649 1.00 0.00 H new ATOM 0 HG2 ARG B 604 0.570 2.074 6.623 1.00 0.00 H new ATOM 0 HG3 ARG B 604 0.873 2.515 8.292 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.814 4.948 7.663 1.00 0.00 H new ATOM 0 HD3 ARG B 604 0.519 4.510 5.992 1.00 0.00 H new ATOM 0 HE ARG B 604 -1.539 3.168 7.375 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.243 6.411 7.189 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.798 7.185 7.512 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -3.529 4.161 7.788 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -3.642 5.923 7.847 1.00 0.00 H new ATOM 1123 N ILE B 605 4.344 1.398 9.083 1.00 0.00 N ATOM 1124 CA ILE B 605 4.512 0.225 9.994 1.00 0.00 C ATOM 1125 C ILE B 605 5.166 0.642 11.316 1.00 0.00 C ATOM 1126 O ILE B 605 4.710 0.274 12.378 1.00 0.00 O ATOM 1127 CB ILE B 605 5.399 -0.806 9.283 1.00 0.00 C ATOM 1128 CG1 ILE B 605 4.610 -1.400 8.114 1.00 0.00 C ATOM 1129 CG2 ILE B 605 5.785 -1.931 10.248 1.00 0.00 C ATOM 1130 CD1 ILE B 605 5.539 -2.225 7.220 1.00 0.00 C ATOM 0 H ILE B 605 5.057 1.472 8.358 1.00 0.00 H new ATOM 0 HA ILE B 605 3.534 -0.197 10.225 1.00 0.00 H new ATOM 0 HB ILE B 605 6.307 -0.319 8.927 1.00 0.00 H new ATOM 0 HG12 ILE B 605 3.803 -2.028 8.491 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.148 -0.602 7.533 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.414 -2.655 9.730 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.332 -1.514 11.093 1.00 0.00 H new ATOM 0 HG23 ILE B 605 4.883 -2.426 10.609 1.00 0.00 H new ATOM 0 HD11 ILE B 605 4.969 -2.644 6.391 1.00 0.00 H new ATOM 0 HD12 ILE B 605 6.331 -1.586 6.830 1.00 0.00 H new ATOM 0 HD13 ILE B 605 5.980 -3.034 7.802 1.00 0.00 H new ATOM 1142 N THR B 606 6.235 1.380 11.277 1.00 0.00 N ATOM 1143 CA THR B 606 6.898 1.772 12.553 1.00 0.00 C ATOM 1144 C THR B 606 5.891 2.429 13.505 1.00 0.00 C ATOM 1145 O THR B 606 5.970 2.266 14.707 1.00 0.00 O ATOM 1146 CB THR B 606 8.035 2.752 12.266 1.00 0.00 C ATOM 1147 OG1 THR B 606 7.544 3.827 11.479 1.00 0.00 O ATOM 1148 CG2 THR B 606 9.153 2.030 11.514 1.00 0.00 C ATOM 0 H THR B 606 6.678 1.728 10.427 1.00 0.00 H new ATOM 0 HA THR B 606 7.296 0.873 13.024 1.00 0.00 H new ATOM 0 HB THR B 606 8.427 3.142 13.205 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.619 3.642 11.212 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.964 2.729 11.309 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.528 1.207 12.122 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.765 1.639 10.574 1.00 0.00 H new ATOM 1267 N ILE B 614 4.865 -9.508 12.268 1.00 0.00 N ATOM 1268 CA ILE B 614 4.610 -9.019 10.885 1.00 0.00 C ATOM 1269 C ILE B 614 5.323 -9.924 9.876 1.00 0.00 C ATOM 1270 O ILE B 614 6.176 -10.713 10.228 1.00 0.00 O ATOM 1271 CB ILE B 614 5.145 -7.589 10.752 1.00 0.00 C ATOM 1272 CG1 ILE B 614 4.710 -6.759 11.968 1.00 0.00 C ATOM 1273 CG2 ILE B 614 4.609 -6.942 9.471 1.00 0.00 C ATOM 1274 CD1 ILE B 614 3.197 -6.883 12.172 1.00 0.00 C ATOM 0 HA ILE B 614 3.538 -9.034 10.686 1.00 0.00 H new ATOM 0 HB ILE B 614 6.233 -7.622 10.705 1.00 0.00 H new ATOM 0 HG12 ILE B 614 5.235 -7.102 12.860 1.00 0.00 H new ATOM 0 HG13 ILE B 614 4.981 -5.714 11.821 1.00 0.00 H new ATOM 0 HG21 ILE B 614 4.996 -5.926 9.387 1.00 0.00 H new ATOM 0 HG22 ILE B 614 4.929 -7.525 8.607 1.00 0.00 H new ATOM 0 HG23 ILE B 614 3.520 -6.914 9.506 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.897 -6.291 13.037 1.00 0.00 H new ATOM 0 HD12 ILE B 614 2.679 -6.518 11.285 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.937 -7.928 12.340 1.00 0.00 H new ATOM 1286 N ASP B 615 4.985 -9.796 8.617 1.00 0.00 N ATOM 1287 CA ASP B 615 5.633 -10.617 7.554 1.00 0.00 C ATOM 1288 C ASP B 615 6.065 -9.675 6.437 1.00 0.00 C ATOM 1289 O ASP B 615 5.254 -9.177 5.688 1.00 0.00 O ATOM 1290 CB ASP B 615 4.633 -11.639 7.006 1.00 0.00 C ATOM 1291 CG ASP B 615 5.335 -12.545 5.992 1.00 0.00 C ATOM 1292 OD1 ASP B 615 6.487 -12.876 6.220 1.00 0.00 O ATOM 1293 OD2 ASP B 615 4.709 -12.891 5.004 1.00 0.00 O ATOM 0 H ASP B 615 4.276 -9.146 8.278 1.00 0.00 H new ATOM 0 HA ASP B 615 6.492 -11.153 7.958 1.00 0.00 H new ATOM 0 HB2 ASP B 615 4.223 -12.236 7.821 1.00 0.00 H new ATOM 0 HB3 ASP B 615 3.795 -11.127 6.533 1.00 0.00 H new ATOM 1298 N VAL B 616 7.337 -9.428 6.326 1.00 0.00 N ATOM 1299 CA VAL B 616 7.832 -8.512 5.260 1.00 0.00 C ATOM 1300 C VAL B 616 7.916 -9.274 3.935 1.00 0.00 C ATOM 1301 O VAL B 616 8.004 -8.693 2.869 1.00 0.00 O ATOM 1302 CB VAL B 616 9.214 -7.982 5.646 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.075 -6.990 6.805 1.00 0.00 C ATOM 1304 CG2 VAL B 616 10.104 -9.149 6.079 1.00 0.00 C ATOM 0 H VAL B 616 8.060 -9.821 6.929 1.00 0.00 H new ATOM 0 HA VAL B 616 7.146 -7.673 5.148 1.00 0.00 H new ATOM 0 HB VAL B 616 9.663 -7.480 4.789 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.060 -6.612 7.080 1.00 0.00 H new ATOM 0 HG12 VAL B 616 8.440 -6.159 6.498 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.626 -7.492 7.662 1.00 0.00 H new ATOM 0 HG21 VAL B 616 11.089 -8.773 6.354 1.00 0.00 H new ATOM 0 HG22 VAL B 616 9.655 -9.651 6.936 1.00 0.00 H new ATOM 0 HG23 VAL B 616 10.203 -9.856 5.255 1.00 0.00 H new ATOM 1314 N ASP B 617 7.898 -10.576 3.997 1.00 0.00 N ATOM 1315 CA ASP B 617 7.991 -11.386 2.748 1.00 0.00 C ATOM 1316 C ASP B 617 6.720 -11.218 1.913 1.00 0.00 C ATOM 1317 O ASP B 617 6.775 -11.061 0.710 1.00 0.00 O ATOM 1318 CB ASP B 617 8.165 -12.862 3.114 1.00 0.00 C ATOM 1319 CG ASP B 617 8.383 -13.681 1.840 1.00 0.00 C ATOM 1320 OD1 ASP B 617 7.518 -13.642 0.980 1.00 0.00 O ATOM 1321 OD2 ASP B 617 9.410 -14.333 1.747 1.00 0.00 O ATOM 0 H ASP B 617 7.823 -11.116 4.859 1.00 0.00 H new ATOM 0 HA ASP B 617 8.846 -11.044 2.165 1.00 0.00 H new ATOM 0 HB2 ASP B 617 9.014 -12.983 3.787 1.00 0.00 H new ATOM 0 HB3 ASP B 617 7.284 -13.223 3.645 1.00 0.00 H new ATOM 1326 N GLY B 618 5.574 -11.260 2.535 1.00 0.00 N ATOM 1327 CA GLY B 618 4.307 -11.113 1.766 1.00 0.00 C ATOM 1328 C GLY B 618 4.221 -9.711 1.163 1.00 0.00 C ATOM 1329 O GLY B 618 3.761 -9.536 0.055 1.00 0.00 O ATOM 0 H GLY B 618 5.461 -11.389 3.540 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.263 -11.861 0.975 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.453 -11.290 2.419 1.00 0.00 H new ATOM 1333 N LEU B 619 4.669 -8.711 1.873 1.00 0.00 N ATOM 1334 CA LEU B 619 4.605 -7.338 1.300 1.00 0.00 C ATOM 1335 C LEU B 619 5.508 -7.296 0.069 1.00 0.00 C ATOM 1336 O LEU B 619 5.357 -6.464 -0.801 1.00 0.00 O ATOM 1337 CB LEU B 619 5.066 -6.289 2.326 1.00 0.00 C ATOM 1338 CG LEU B 619 4.629 -6.708 3.726 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.999 -5.611 4.726 1.00 0.00 C ATOM 1340 CD2 LEU B 619 3.113 -6.931 3.753 1.00 0.00 C ATOM 0 H LEU B 619 5.070 -8.783 2.808 1.00 0.00 H new ATOM 0 HA LEU B 619 3.576 -7.104 1.029 1.00 0.00 H new ATOM 0 HB2 LEU B 619 6.150 -6.184 2.290 1.00 0.00 H new ATOM 0 HB3 LEU B 619 4.643 -5.315 2.079 1.00 0.00 H new ATOM 0 HG LEU B 619 5.134 -7.635 3.996 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.687 -5.910 5.726 1.00 0.00 H new ATOM 0 HD12 LEU B 619 6.078 -5.456 4.714 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.496 -4.684 4.451 1.00 0.00 H new ATOM 0 HD21 LEU B 619 2.807 -7.230 4.756 1.00 0.00 H new ATOM 0 HD22 LEU B 619 2.604 -6.007 3.479 1.00 0.00 H new ATOM 0 HD23 LEU B 619 2.848 -7.715 3.044 1.00 0.00 H new ATOM 1352 N CYS B 620 6.455 -8.191 0.001 1.00 0.00 N ATOM 1353 CA CYS B 620 7.384 -8.211 -1.160 1.00 0.00 C ATOM 1354 C CYS B 620 6.655 -8.654 -2.435 1.00 0.00 C ATOM 1355 O CYS B 620 6.703 -7.979 -3.436 1.00 0.00 O ATOM 1356 CB CYS B 620 8.533 -9.181 -0.872 1.00 0.00 C ATOM 1357 SG CYS B 620 9.879 -8.887 -2.046 1.00 0.00 S ATOM 0 H CYS B 620 6.625 -8.911 0.703 1.00 0.00 H new ATOM 0 HA CYS B 620 7.771 -7.204 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.890 -9.045 0.149 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.183 -10.210 -0.953 1.00 0.00 H new ATOM 0 HG CYS B 620 10.856 -9.709 -1.801 1.00 0.00 H new ATOM 1363 N SER B 621 5.988 -9.780 -2.423 1.00 0.00 N ATOM 1364 CA SER B 621 5.285 -10.236 -3.669 1.00 0.00 C ATOM 1365 C SER B 621 3.922 -9.547 -3.800 1.00 0.00 C ATOM 1366 O SER B 621 3.218 -9.729 -4.772 1.00 0.00 O ATOM 1367 CB SER B 621 5.115 -11.755 -3.659 1.00 0.00 C ATOM 1368 OG SER B 621 4.510 -12.169 -4.877 1.00 0.00 O ATOM 0 H SER B 621 5.898 -10.399 -1.617 1.00 0.00 H new ATOM 0 HA SER B 621 5.895 -9.960 -4.529 1.00 0.00 H new ATOM 0 HB2 SER B 621 6.084 -12.240 -3.538 1.00 0.00 H new ATOM 0 HB3 SER B 621 4.499 -12.058 -2.812 1.00 0.00 H new ATOM 0 HG SER B 621 3.912 -11.464 -5.202 1.00 0.00 H new ATOM 1374 N GLU B 622 3.561 -8.732 -2.854 1.00 0.00 N ATOM 1375 CA GLU B 622 2.265 -7.996 -2.939 1.00 0.00 C ATOM 1376 C GLU B 622 2.529 -6.570 -3.443 1.00 0.00 C ATOM 1377 O GLU B 622 1.850 -6.085 -4.326 1.00 0.00 O ATOM 1378 CB GLU B 622 1.619 -7.934 -1.547 1.00 0.00 C ATOM 1379 CG GLU B 622 0.798 -9.202 -1.287 1.00 0.00 C ATOM 1380 CD GLU B 622 1.657 -10.440 -1.550 1.00 0.00 C ATOM 1381 OE1 GLU B 622 1.875 -10.751 -2.708 1.00 0.00 O ATOM 1382 OE2 GLU B 622 2.076 -11.062 -0.586 1.00 0.00 O ATOM 0 H GLU B 622 4.110 -8.540 -2.016 1.00 0.00 H new ATOM 0 HA GLU B 622 1.594 -8.511 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.391 -7.829 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.978 -7.056 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.439 -9.209 -0.258 1.00 0.00 H new ATOM 0 HG3 GLU B 622 -0.081 -9.215 -1.931 1.00 0.00 H new ATOM 1389 N LEU B 623 3.492 -5.884 -2.884 1.00 0.00 N ATOM 1390 CA LEU B 623 3.769 -4.484 -3.335 1.00 0.00 C ATOM 1391 C LEU B 623 4.726 -4.480 -4.545 1.00 0.00 C ATOM 1392 O LEU B 623 4.819 -3.502 -5.259 1.00 0.00 O ATOM 1393 CB LEU B 623 4.401 -3.689 -2.177 1.00 0.00 C ATOM 1394 CG LEU B 623 3.322 -3.249 -1.170 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.808 -4.460 -0.383 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.928 -2.236 -0.192 1.00 0.00 C ATOM 0 H LEU B 623 4.097 -6.229 -2.138 1.00 0.00 H new ATOM 0 HA LEU B 623 2.829 -4.021 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU B 623 5.148 -4.302 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.919 -2.814 -2.569 1.00 0.00 H new ATOM 0 HG LEU B 623 2.492 -2.796 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU B 623 2.046 -4.136 0.326 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.378 -5.186 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.635 -4.920 0.158 1.00 0.00 H new ATOM 0 HD21 LEU B 623 3.168 -1.921 0.523 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.759 -2.697 0.341 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.288 -1.368 -0.744 1.00 0.00 H new ATOM 1408 N MET B 624 5.458 -5.544 -4.767 1.00 0.00 N ATOM 1409 CA MET B 624 6.427 -5.565 -5.914 1.00 0.00 C ATOM 1410 C MET B 624 5.705 -5.647 -7.266 1.00 0.00 C ATOM 1411 O MET B 624 6.215 -5.173 -8.260 1.00 0.00 O ATOM 1412 CB MET B 624 7.369 -6.764 -5.771 1.00 0.00 C ATOM 1413 CG MET B 624 8.331 -6.813 -6.958 1.00 0.00 C ATOM 1414 SD MET B 624 9.625 -8.037 -6.635 1.00 0.00 S ATOM 1415 CE MET B 624 10.665 -7.652 -8.065 1.00 0.00 C ATOM 0 H MET B 624 5.429 -6.397 -4.208 1.00 0.00 H new ATOM 0 HA MET B 624 6.994 -4.634 -5.887 1.00 0.00 H new ATOM 0 HB2 MET B 624 7.930 -6.688 -4.840 1.00 0.00 H new ATOM 0 HB3 MET B 624 6.792 -7.687 -5.721 1.00 0.00 H new ATOM 0 HG2 MET B 624 7.790 -7.072 -7.868 1.00 0.00 H new ATOM 0 HG3 MET B 624 8.776 -5.831 -7.120 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.539 -8.303 -8.065 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.096 -7.809 -8.981 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.987 -6.612 -8.011 1.00 0.00 H new ATOM 1425 N ALA B 625 4.533 -6.228 -7.327 1.00 0.00 N ATOM 1426 CA ALA B 625 3.802 -6.316 -8.641 1.00 0.00 C ATOM 1427 C ALA B 625 2.677 -5.282 -8.663 1.00 0.00 C ATOM 1428 O ALA B 625 2.032 -5.086 -9.673 1.00 0.00 O ATOM 1429 CB ALA B 625 3.249 -7.724 -8.864 1.00 0.00 C ATOM 0 H ALA B 625 4.048 -6.645 -6.532 1.00 0.00 H new ATOM 0 HA ALA B 625 4.499 -6.105 -9.452 1.00 0.00 H new ATOM 0 HB1 ALA B 625 2.725 -7.762 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.070 -8.441 -8.871 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.556 -7.974 -8.060 1.00 0.00 H new ATOM 1435 N LYS B 626 2.479 -4.571 -7.589 1.00 0.00 N ATOM 1436 CA LYS B 626 1.443 -3.495 -7.589 1.00 0.00 C ATOM 1437 C LYS B 626 2.168 -2.180 -7.886 1.00 0.00 C ATOM 1438 O LYS B 626 1.569 -1.174 -8.212 1.00 0.00 O ATOM 1439 CB LYS B 626 0.769 -3.419 -6.215 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.050 -4.699 -5.953 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.461 -4.552 -6.538 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.237 -5.855 -6.333 1.00 0.00 C ATOM 1443 NZ LYS B 626 -1.753 -6.878 -7.303 1.00 0.00 N ATOM 0 H LYS B 626 2.987 -4.686 -6.712 1.00 0.00 H new ATOM 0 HA LYS B 626 0.672 -3.695 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.523 -3.296 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.118 -2.546 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS B 626 0.450 -5.558 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.110 -4.888 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -1.982 -3.726 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.403 -4.314 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -2.103 -6.214 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -3.304 -5.681 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -2.405 -7.688 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -1.711 -6.461 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -0.804 -7.199 -7.024 1.00 0.00 H new ATOM 1457 N ALA B 627 3.471 -2.201 -7.760 1.00 0.00 N ATOM 1458 CA ALA B 627 4.298 -0.984 -8.012 1.00 0.00 C ATOM 1459 C ALA B 627 3.912 -0.325 -9.338 1.00 0.00 C ATOM 1460 O ALA B 627 3.565 -0.985 -10.297 1.00 0.00 O ATOM 1461 CB ALA B 627 5.773 -1.386 -8.063 1.00 0.00 C ATOM 0 H ALA B 627 4.005 -3.026 -7.488 1.00 0.00 H new ATOM 0 HA ALA B 627 4.124 -0.271 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.385 -0.503 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA B 627 6.061 -1.835 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.926 -2.107 -8.866 1.00 0.00 H new ATOM 1467 N LYS B 628 3.987 0.985 -9.393 1.00 0.00 N ATOM 1468 CA LYS B 628 3.645 1.732 -10.645 1.00 0.00 C ATOM 1469 C LYS B 628 4.847 2.597 -11.044 1.00 0.00 C ATOM 1470 O LYS B 628 4.980 3.728 -10.617 1.00 0.00 O ATOM 1471 CB LYS B 628 2.436 2.639 -10.389 1.00 0.00 C ATOM 1472 CG LYS B 628 1.246 1.806 -9.884 1.00 0.00 C ATOM 1473 CD LYS B 628 0.538 1.127 -11.062 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.739 0.447 -10.565 1.00 0.00 C ATOM 1475 NZ LYS B 628 -0.379 -0.729 -9.722 1.00 0.00 N ATOM 0 H LYS B 628 4.275 1.575 -8.612 1.00 0.00 H new ATOM 0 HA LYS B 628 3.405 1.028 -11.442 1.00 0.00 H new ATOM 0 HB2 LYS B 628 2.693 3.402 -9.654 1.00 0.00 H new ATOM 0 HB3 LYS B 628 2.162 3.160 -11.306 1.00 0.00 H new ATOM 0 HG2 LYS B 628 1.594 1.053 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.545 2.447 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS B 628 0.296 1.863 -11.828 1.00 0.00 H new ATOM 0 HD3 LYS B 628 1.198 0.392 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -1.338 1.152 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.348 0.129 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -0.940 -0.713 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -0.578 -1.605 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 0.633 -0.690 -9.485 1.00 0.00 H new ATOM 1489 N CYS B 629 5.736 2.054 -11.834 1.00 0.00 N ATOM 1490 CA CYS B 629 6.953 2.816 -12.246 1.00 0.00 C ATOM 1491 C CYS B 629 6.584 4.217 -12.748 1.00 0.00 C ATOM 1492 O CYS B 629 5.893 4.392 -13.732 1.00 0.00 O ATOM 1493 CB CYS B 629 7.696 2.054 -13.348 1.00 0.00 C ATOM 1494 SG CYS B 629 9.009 3.104 -14.024 1.00 0.00 S ATOM 0 H CYS B 629 5.671 1.110 -12.214 1.00 0.00 H new ATOM 0 HA CYS B 629 7.598 2.922 -11.374 1.00 0.00 H new ATOM 0 HB2 CYS B 629 8.121 1.134 -12.946 1.00 0.00 H new ATOM 0 HB3 CYS B 629 7.002 1.766 -14.138 1.00 0.00 H new ATOM 1499 N SER B 630 7.084 5.211 -12.061 1.00 0.00 N ATOM 1500 CA SER B 630 6.835 6.635 -12.443 1.00 0.00 C ATOM 1501 C SER B 630 8.116 7.430 -12.169 1.00 0.00 C ATOM 1502 O SER B 630 8.973 6.982 -11.433 1.00 0.00 O ATOM 1503 CB SER B 630 5.688 7.200 -11.604 1.00 0.00 C ATOM 1504 OG SER B 630 5.293 8.458 -12.135 1.00 0.00 O ATOM 0 H SER B 630 7.668 5.093 -11.233 1.00 0.00 H new ATOM 0 HA SER B 630 6.564 6.704 -13.497 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.845 6.510 -11.608 1.00 0.00 H new ATOM 0 HB3 SER B 630 6.002 7.313 -10.566 1.00 0.00 H new ATOM 0 HG SER B 630 4.557 8.822 -11.600 1.00 0.00 H new ATOM 1510 N GLU B 631 8.274 8.595 -12.741 1.00 0.00 N ATOM 1511 CA GLU B 631 9.520 9.371 -12.478 1.00 0.00 C ATOM 1512 C GLU B 631 9.584 9.732 -10.992 1.00 0.00 C ATOM 1513 O GLU B 631 10.650 9.829 -10.419 1.00 0.00 O ATOM 1514 CB GLU B 631 9.537 10.642 -13.332 1.00 0.00 C ATOM 1515 CG GLU B 631 10.888 11.343 -13.184 1.00 0.00 C ATOM 1516 CD GLU B 631 10.911 12.595 -14.063 1.00 0.00 C ATOM 1517 OE1 GLU B 631 10.235 12.595 -15.078 1.00 0.00 O ATOM 1518 OE2 GLU B 631 11.605 13.533 -13.705 1.00 0.00 O ATOM 0 H GLU B 631 7.604 9.037 -13.370 1.00 0.00 H new ATOM 0 HA GLU B 631 10.388 8.766 -12.741 1.00 0.00 H new ATOM 0 HB2 GLU B 631 9.359 10.392 -14.378 1.00 0.00 H new ATOM 0 HB3 GLU B 631 8.734 11.310 -13.023 1.00 0.00 H new ATOM 0 HG2 GLU B 631 11.057 11.614 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU B 631 11.694 10.668 -13.473 1.00 0.00 H new ATOM 1525 N ARG B 632 8.460 9.894 -10.352 1.00 0.00 N ATOM 1526 CA ARG B 632 8.483 10.203 -8.893 1.00 0.00 C ATOM 1527 C ARG B 632 8.717 8.887 -8.146 1.00 0.00 C ATOM 1528 O ARG B 632 8.217 8.667 -7.060 1.00 0.00 O ATOM 1529 CB ARG B 632 7.140 10.814 -8.472 1.00 0.00 C ATOM 1530 CG ARG B 632 7.031 12.264 -8.985 1.00 0.00 C ATOM 1531 CD ARG B 632 7.659 13.235 -7.975 1.00 0.00 C ATOM 1532 NE ARG B 632 7.931 14.538 -8.643 1.00 0.00 N ATOM 1533 CZ ARG B 632 8.190 15.598 -7.927 1.00 0.00 C ATOM 1534 NH1 ARG B 632 8.220 15.514 -6.625 1.00 0.00 N ATOM 1535 NH2 ARG B 632 8.422 16.741 -8.511 1.00 0.00 N ATOM 0 H ARG B 632 7.532 9.827 -10.771 1.00 0.00 H new ATOM 0 HA ARG B 632 9.272 10.918 -8.662 1.00 0.00 H new ATOM 0 HB2 ARG B 632 6.320 10.217 -8.870 1.00 0.00 H new ATOM 0 HB3 ARG B 632 7.049 10.797 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.533 12.355 -9.948 1.00 0.00 H new ATOM 0 HG3 ARG B 632 5.984 12.522 -9.146 1.00 0.00 H new ATOM 0 HD2 ARG B 632 6.988 13.381 -7.129 1.00 0.00 H new ATOM 0 HD3 ARG B 632 8.584 12.817 -7.579 1.00 0.00 H new ATOM 0 HE ARG B 632 7.915 14.602 -9.661 1.00 0.00 H new ATOM 0 HH11 ARG B 632 8.041 14.620 -6.167 1.00 0.00 H new ATOM 0 HH12 ARG B 632 8.422 16.342 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG B 632 8.401 16.807 -9.529 1.00 0.00 H new ATOM 0 HH22 ARG B 632 8.624 17.569 -7.950 1.00 0.00 H new ATOM 1549 N GLY B 633 9.464 8.005 -8.755 1.00 0.00 N ATOM 1550 CA GLY B 633 9.734 6.678 -8.132 1.00 0.00 C ATOM 1551 C GLY B 633 8.473 5.822 -8.260 1.00 0.00 C ATOM 1552 O GLY B 633 7.529 6.202 -8.925 1.00 0.00 O ATOM 0 H GLY B 633 9.902 8.149 -9.665 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.575 6.191 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY B 633 10.006 6.799 -7.083 1.00 0.00 H new ATOM 1556 N VAL B 634 8.431 4.680 -7.633 1.00 0.00 N ATOM 1557 CA VAL B 634 7.223 3.816 -7.719 1.00 0.00 C ATOM 1558 C VAL B 634 6.130 4.367 -6.805 1.00 0.00 C ATOM 1559 O VAL B 634 6.414 4.795 -5.703 1.00 0.00 O ATOM 1560 CB VAL B 634 7.602 2.420 -7.214 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.738 1.855 -8.070 1.00 0.00 C ATOM 1562 CG2 VAL B 634 8.060 2.512 -5.754 1.00 0.00 C ATOM 0 H VAL B 634 9.188 4.306 -7.061 1.00 0.00 H new ATOM 0 HA VAL B 634 6.864 3.784 -8.748 1.00 0.00 H new ATOM 0 HB VAL B 634 6.735 1.763 -7.283 1.00 0.00 H new ATOM 0 HG11 VAL B 634 9.006 0.862 -7.709 1.00 0.00 H new ATOM 0 HG12 VAL B 634 8.413 1.788 -9.108 1.00 0.00 H new ATOM 0 HG13 VAL B 634 9.605 2.512 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL B 634 8.330 1.519 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL B 634 8.926 3.171 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL B 634 7.251 2.912 -5.143 1.00 0.00 H new ATOM 1572 N VAL B 635 4.885 4.340 -7.222 1.00 0.00 N ATOM 1573 CA VAL B 635 3.781 4.842 -6.328 1.00 0.00 C ATOM 1574 C VAL B 635 2.699 3.765 -6.230 1.00 0.00 C ATOM 1575 O VAL B 635 2.304 3.167 -7.212 1.00 0.00 O ATOM 1576 CB VAL B 635 3.193 6.142 -6.879 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.231 7.261 -6.770 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.808 5.947 -8.348 1.00 0.00 C ATOM 0 H VAL B 635 4.583 3.996 -8.134 1.00 0.00 H new ATOM 0 HA VAL B 635 4.181 5.051 -5.336 1.00 0.00 H new ATOM 0 HB VAL B 635 2.308 6.411 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.811 8.187 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.505 7.402 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.117 6.992 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.389 6.874 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.693 5.677 -8.923 1.00 0.00 H new ATOM 0 HG23 VAL B 635 2.067 5.152 -8.427 1.00 0.00 H new ATOM 1588 N ILE B 636 2.245 3.498 -5.028 1.00 0.00 N ATOM 1589 CA ILE B 636 1.212 2.439 -4.802 1.00 0.00 C ATOM 1590 C ILE B 636 0.016 3.028 -4.051 1.00 0.00 C ATOM 1591 O ILE B 636 0.131 4.017 -3.358 1.00 0.00 O ATOM 1592 CB ILE B 636 1.833 1.322 -3.952 1.00 0.00 C ATOM 1593 CG1 ILE B 636 3.264 1.068 -4.432 1.00 0.00 C ATOM 1594 CG2 ILE B 636 1.001 0.044 -4.087 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.829 -0.189 -3.760 1.00 0.00 C ATOM 0 H ILE B 636 2.552 3.977 -4.182 1.00 0.00 H new ATOM 0 HA ILE B 636 0.876 2.047 -5.762 1.00 0.00 H new ATOM 0 HB ILE B 636 1.847 1.621 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE B 636 3.277 0.948 -5.515 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.892 1.928 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.446 -0.746 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.016 0.234 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.980 -0.268 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.847 -0.361 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE B 636 3.833 -0.053 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE B 636 3.208 -1.048 -4.015 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.132 2.421 -4.177 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.333 2.934 -3.457 1.00 0.00 C ATOM 1609 C ASN B 637 -2.409 2.272 -2.077 1.00 0.00 C ATOM 1610 O ASN B 637 -2.469 1.066 -1.949 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.596 2.609 -4.255 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.558 3.344 -5.596 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -4.302 4.279 -5.811 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -2.713 2.958 -6.514 1.00 0.00 N ATOM 0 H ASN B 637 -1.291 1.591 -4.748 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.256 4.015 -3.343 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.668 1.534 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.481 2.905 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -2.678 3.442 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -2.088 2.173 -6.334 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.410 3.071 -1.044 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.486 2.531 0.345 1.00 0.00 C ATOM 1623 C ALA B 638 -3.601 1.486 0.447 1.00 0.00 C ATOM 1624 O ALA B 638 -3.710 0.783 1.429 1.00 0.00 O ATOM 1625 CB ALA B 638 -2.772 3.672 1.321 1.00 0.00 C ATOM 0 H ALA B 638 -2.361 4.088 -1.104 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.534 2.062 0.594 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -2.828 3.278 2.336 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -1.972 4.410 1.262 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -3.720 4.143 1.062 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.424 1.368 -0.554 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.517 0.356 -0.495 1.00 0.00 C ATOM 1633 C GLU B 639 -4.944 -1.040 -0.770 1.00 0.00 C ATOM 1634 O GLU B 639 -5.525 -2.035 -0.384 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.598 0.695 -1.523 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.803 -0.224 -1.322 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.913 0.170 -2.297 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.865 -0.279 -3.430 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.792 0.915 -1.894 1.00 0.00 O ATOM 0 H GLU B 639 -4.390 1.925 -1.408 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.964 0.367 0.499 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.901 1.737 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.203 0.579 -2.532 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.513 -1.262 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.163 -0.150 -0.296 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.795 -1.138 -1.386 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.196 -2.491 -1.617 1.00 0.00 C ATOM 1648 C ASP B 640 -2.351 -2.866 -0.396 1.00 0.00 C ATOM 1649 O ASP B 640 -2.436 -3.967 0.111 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.332 -2.483 -2.879 1.00 0.00 C ATOM 1651 CG ASP B 640 -1.665 -3.850 -3.046 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -2.342 -4.768 -3.480 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -0.491 -3.956 -2.736 1.00 0.00 O ATOM 0 H ASP B 640 -3.249 -0.351 -1.737 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.989 -3.226 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -2.945 -2.256 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.574 -1.702 -2.810 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.556 -1.958 0.098 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.736 -2.266 1.307 1.00 0.00 C ATOM 1660 C VAL B 641 -1.674 -2.495 2.499 1.00 0.00 C ATOM 1661 O VAL B 641 -1.400 -3.293 3.371 1.00 0.00 O ATOM 1662 CB VAL B 641 0.222 -1.094 1.591 1.00 0.00 C ATOM 1663 CG1 VAL B 641 0.769 -0.556 0.265 1.00 0.00 C ATOM 1664 CG2 VAL B 641 -0.506 0.034 2.341 1.00 0.00 C ATOM 0 H VAL B 641 -1.438 -1.018 -0.280 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.144 -3.166 1.140 1.00 0.00 H new ATOM 0 HB VAL B 641 1.041 -1.453 2.215 1.00 0.00 H new ATOM 0 HG11 VAL B 641 1.448 0.274 0.461 1.00 0.00 H new ATOM 0 HG12 VAL B 641 1.306 -1.349 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -0.057 -0.210 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL B 641 0.189 0.852 2.532 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -1.336 0.397 1.735 1.00 0.00 H new ATOM 0 HG23 VAL B 641 -0.887 -0.346 3.289 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.785 -1.813 2.532 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.741 -2.003 3.662 1.00 0.00 C ATOM 1676 C GLN B 642 -4.434 -3.361 3.513 1.00 0.00 C ATOM 1677 O GLN B 642 -4.741 -4.019 4.488 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.784 -0.884 3.660 1.00 0.00 C ATOM 1679 CG GLN B 642 -5.594 -0.934 4.957 1.00 0.00 C ATOM 1680 CD GLN B 642 -4.733 -0.426 6.115 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -3.583 -0.082 5.927 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -5.245 -0.363 7.314 1.00 0.00 N ATOM 0 H GLN B 642 -3.073 -1.134 1.828 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.197 -1.972 4.606 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.293 0.084 3.563 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.447 -0.992 2.801 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -6.492 -0.323 4.862 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.923 -1.954 5.154 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -6.210 -0.652 7.472 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -4.680 -0.025 8.093 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.659 -3.798 2.304 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.304 -5.128 2.101 1.00 0.00 C ATOM 1693 C LEU B 643 -4.228 -6.212 2.170 1.00 0.00 C ATOM 1694 O LEU B 643 -4.513 -7.357 2.453 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.992 -5.177 0.732 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.226 -4.262 0.722 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.781 -4.195 -0.705 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -8.311 -4.806 1.675 1.00 0.00 C ATOM 0 H LEU B 643 -4.425 -3.293 1.449 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.052 -5.292 2.876 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.294 -4.866 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -6.288 -6.201 0.503 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.938 -3.267 1.060 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.658 -3.548 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -7.019 -3.794 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -8.061 -5.196 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -9.178 -4.145 1.655 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.609 -5.805 1.355 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.914 -4.853 2.689 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.992 -5.862 1.943 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.902 -6.878 2.034 1.00 0.00 C ATOM 1712 C ALA B 644 -1.410 -6.945 3.482 1.00 0.00 C ATOM 1713 O ALA B 644 -1.085 -8.000 3.989 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.750 -6.487 1.111 1.00 0.00 C ATOM 0 H ALA B 644 -2.689 -4.919 1.699 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.280 -7.853 1.727 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.042 -7.232 1.182 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -1.109 -6.436 0.083 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.360 -5.514 1.408 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.371 -5.829 4.156 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.921 -5.828 5.578 1.00 0.00 C ATOM 1722 C LEU B 645 -2.057 -6.343 6.466 1.00 0.00 C ATOM 1723 O LEU B 645 -1.826 -6.845 7.548 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.546 -4.400 6.004 1.00 0.00 C ATOM 1725 CG LEU B 645 0.810 -3.989 5.388 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.897 -2.461 5.296 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.959 -4.489 6.275 1.00 0.00 C ATOM 0 H LEU B 645 -1.632 -4.916 3.784 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.049 -6.474 5.683 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.322 -3.704 5.686 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.491 -4.341 7.091 1.00 0.00 H new ATOM 0 HG LEU B 645 0.889 -4.428 4.394 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.855 -2.177 4.861 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.088 -2.088 4.668 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.810 -2.031 6.294 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.912 -4.196 5.835 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.868 -4.051 7.269 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.913 -5.575 6.351 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.283 -6.228 6.027 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.425 -6.718 6.859 1.00 0.00 C ATOM 1741 C ASN B 646 -4.753 -8.170 6.491 1.00 0.00 C ATOM 1742 O ASN B 646 -5.543 -8.816 7.149 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.653 -5.840 6.613 1.00 0.00 C ATOM 1744 CG ASN B 646 -5.363 -4.412 7.080 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -4.226 -3.985 7.098 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -6.352 -3.651 7.462 1.00 0.00 N ATOM 0 H ASN B 646 -3.544 -5.817 5.131 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.147 -6.668 7.912 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.908 -5.842 5.553 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.513 -6.241 7.149 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -6.170 -2.698 7.776 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -7.307 -4.010 7.447 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.146 -8.689 5.451 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.417 -10.106 5.040 1.00 0.00 C ATOM 1755 C LYS B 647 -3.231 -10.990 5.446 1.00 0.00 C ATOM 1756 O LYS B 647 -3.302 -12.201 5.377 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.599 -10.172 3.518 1.00 0.00 C ATOM 1758 CG LYS B 647 -6.008 -9.699 3.147 1.00 0.00 C ATOM 1759 CD LYS B 647 -6.182 -9.754 1.626 1.00 0.00 C ATOM 1760 CE LYS B 647 -7.615 -9.367 1.261 1.00 0.00 C ATOM 1761 NZ LYS B 647 -7.781 -9.419 -0.219 1.00 0.00 N ATOM 0 H LYS B 647 -3.473 -8.193 4.867 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.323 -10.459 5.532 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -3.854 -9.548 3.025 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -4.443 -11.192 3.167 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -6.754 -10.329 3.632 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -6.168 -8.682 3.505 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -5.477 -9.076 1.144 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -5.961 -10.757 1.260 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -8.320 -10.046 1.741 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -7.837 -8.365 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -8.756 -9.156 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -7.118 -8.754 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -7.586 -10.383 -0.557 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.143 -10.390 5.866 1.00 0.00 N ATOM 1776 CA HIS B 648 -0.939 -11.183 6.278 1.00 0.00 C ATOM 1777 C HIS B 648 -0.721 -11.033 7.786 1.00 0.00 C ATOM 1778 O HIS B 648 0.269 -11.483 8.327 1.00 0.00 O ATOM 1779 CB HIS B 648 0.290 -10.656 5.534 1.00 0.00 C ATOM 1780 CG HIS B 648 0.126 -10.906 4.060 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.496 -12.043 3.568 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.497 -10.175 2.959 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.481 -11.964 2.226 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.113 -10.845 1.801 1.00 0.00 N ATOM 0 H HIS B 648 -2.036 -9.378 5.942 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.093 -12.234 6.036 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.413 -9.589 5.722 1.00 0.00 H new ATOM 0 HB3 HIS B 648 1.190 -11.150 5.900 1.00 0.00 H new ATOM 0 HD1 HIS B 648 -0.893 -12.801 4.123 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.009 -9.224 2.987 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.899 -12.714 1.571 1.00 0.00 H new ATOM 1792 N MET B 649 -1.641 -10.405 8.470 1.00 0.00 N ATOM 1793 CA MET B 649 -1.496 -10.227 9.948 1.00 0.00 C ATOM 1794 C MET B 649 -2.271 -11.335 10.668 1.00 0.00 C ATOM 1795 O MET B 649 -3.481 -11.294 10.769 1.00 0.00 O ATOM 1796 CB MET B 649 -2.062 -8.856 10.348 1.00 0.00 C ATOM 1797 CG MET B 649 -1.037 -7.757 10.039 1.00 0.00 C ATOM 1798 SD MET B 649 0.148 -7.640 11.403 1.00 0.00 S ATOM 1799 CE MET B 649 -0.656 -6.290 12.302 1.00 0.00 C ATOM 0 H MET B 649 -2.490 -10.006 8.069 1.00 0.00 H new ATOM 0 HA MET B 649 -0.444 -10.281 10.227 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.989 -8.664 9.807 1.00 0.00 H new ATOM 0 HB3 MET B 649 -2.306 -8.850 11.410 1.00 0.00 H new ATOM 0 HG2 MET B 649 -0.516 -7.981 9.108 1.00 0.00 H new ATOM 0 HG3 MET B 649 -1.543 -6.802 9.899 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.079 -6.053 13.196 1.00 0.00 H new ATOM 0 HE2 MET B 649 -0.712 -5.409 11.662 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.663 -6.593 12.590 1.00 0.00 H new ATOM 1809 N ASN B 650 -1.580 -12.322 11.170 1.00 0.00 N ATOM 1810 CA ASN B 650 -2.274 -13.430 11.883 1.00 0.00 C ATOM 1811 C ASN B 650 -2.741 -12.940 13.255 1.00 0.00 C ATOM 1812 O ASN B 650 -3.392 -13.705 13.947 1.00 0.00 O ATOM 1813 CB ASN B 650 -1.309 -14.604 12.062 1.00 0.00 C ATOM 1814 CG ASN B 650 -0.904 -15.146 10.691 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -0.005 -14.626 10.061 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -1.534 -16.176 10.198 1.00 0.00 N ATOM 1817 OXT ASN B 650 -2.440 -11.806 13.590 1.00 0.00 O ATOM 0 H ASN B 650 -0.565 -12.408 11.117 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.136 -13.754 11.300 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -0.425 -14.281 12.613 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -1.782 -15.390 12.650 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -1.272 -16.545 9.284 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -2.289 -16.613 10.727 1.00 0.00 H new