USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=10 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= 0.0137 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl -175:sc= -1.05 (180deg=-1.08) USER MOD Single : A 307 ASN : amide:sc= -2.49! C(o=-2.5!,f=-7.5!) USER MOD Single : A 308 GLN : amide:sc=-0.00139 X(o=-0.0014,f=0) 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 116:sc= -0.699! 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 180:sc= 0 (180deg=0) USER MOD Single : B 626 LYS NZ :NH3+ 136:sc= 0.884 (180deg=-1.33!) USER MOD Single : B 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 630 SER OG : rot -66:sc= 1.13 USER MOD Single : B 637 ASN : amide:sc= -0.0816 K(o=-0.082,f=-10!) USER MOD Single : B 642 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.24) USER MOD Single : B 646 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.7) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-12!) USER MOD Single : B 649 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 650 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 17.653 -1.543 -0.293 1.00 0.00 N ATOM 339 CA GLU A 301 17.616 -2.781 -1.127 1.00 0.00 C ATOM 340 C GLU A 301 16.149 -3.095 -1.389 1.00 0.00 C ATOM 341 O GLU A 301 15.780 -3.783 -2.324 1.00 0.00 O ATOM 342 CB GLU A 301 18.249 -3.936 -0.348 1.00 0.00 C ATOM 343 CG GLU A 301 18.448 -5.134 -1.280 1.00 0.00 C ATOM 344 CD GLU A 301 19.586 -4.836 -2.259 1.00 0.00 C ATOM 345 OE1 GLU A 301 20.593 -4.302 -1.822 1.00 0.00 O ATOM 346 OE2 GLU A 301 19.432 -5.147 -3.428 1.00 0.00 O ATOM 0 HA GLU A 301 18.163 -2.644 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 301 19.206 -3.625 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 301 17.611 -4.216 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 301 18.679 -6.026 -0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 301 17.528 -5.339 -1.827 1.00 0.00 H new ATOM 353 N PHE A 302 15.316 -2.542 -0.552 1.00 0.00 N ATOM 354 CA PHE A 302 13.853 -2.736 -0.696 1.00 0.00 C ATOM 355 C PHE A 302 13.343 -1.940 -1.898 1.00 0.00 C ATOM 356 O PHE A 302 12.753 -2.488 -2.808 1.00 0.00 O ATOM 357 CB PHE A 302 13.147 -2.267 0.581 1.00 0.00 C ATOM 358 CG PHE A 302 11.731 -2.799 0.608 1.00 0.00 C ATOM 359 CD1 PHE A 302 10.756 -2.225 -0.213 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.393 -3.863 1.456 1.00 0.00 C ATOM 361 CE1 PHE A 302 9.445 -2.711 -0.191 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.078 -4.351 1.478 1.00 0.00 C ATOM 363 CZ PHE A 302 9.105 -3.774 0.654 1.00 0.00 C ATOM 0 H PHE A 302 15.594 -1.956 0.235 1.00 0.00 H new ATOM 0 HA PHE A 302 13.640 -3.793 -0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 302 13.693 -2.615 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.137 -1.178 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.016 -1.405 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.145 -4.307 2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 302 8.694 -2.266 -0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 302 9.817 -5.171 2.130 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.092 -4.149 0.670 1.00 0.00 H new ATOM 373 N CYS A 303 13.558 -0.653 -1.917 1.00 0.00 N ATOM 374 CA CYS A 303 13.074 0.158 -3.071 1.00 0.00 C ATOM 375 C CYS A 303 13.976 -0.086 -4.284 1.00 0.00 C ATOM 376 O CYS A 303 13.569 0.072 -5.418 1.00 0.00 O ATOM 377 CB CYS A 303 13.102 1.647 -2.712 1.00 0.00 C ATOM 378 SG CYS A 303 12.312 1.904 -1.104 1.00 0.00 S ATOM 0 H CYS A 303 14.045 -0.130 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 303 12.052 -0.137 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.131 2.004 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 303 12.585 2.225 -3.478 1.00 0.00 H new ATOM 383 N SER A 304 15.206 -0.445 -4.049 1.00 0.00 N ATOM 384 CA SER A 304 16.154 -0.675 -5.177 1.00 0.00 C ATOM 385 C SER A 304 15.658 -1.796 -6.100 1.00 0.00 C ATOM 386 O SER A 304 15.782 -1.706 -7.311 1.00 0.00 O ATOM 387 CB SER A 304 17.522 -1.059 -4.610 1.00 0.00 C ATOM 388 OG SER A 304 17.842 -0.191 -3.531 1.00 0.00 O ATOM 0 H SER A 304 15.599 -0.590 -3.119 1.00 0.00 H new ATOM 0 HA SER A 304 16.226 0.243 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 304 17.510 -2.094 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 304 18.283 -0.989 -5.387 1.00 0.00 H new ATOM 0 HG SER A 304 18.717 -0.435 -3.164 1.00 0.00 H new ATOM 394 N LYS A 305 15.058 -2.836 -5.558 1.00 0.00 N ATOM 395 CA LYS A 305 14.543 -3.933 -6.452 1.00 0.00 C ATOM 396 C LYS A 305 13.064 -3.674 -6.740 1.00 0.00 C ATOM 397 O LYS A 305 12.509 -4.142 -7.723 1.00 0.00 O ATOM 398 CB LYS A 305 14.745 -5.309 -5.814 1.00 0.00 C ATOM 399 CG LYS A 305 16.178 -5.426 -5.291 1.00 0.00 C ATOM 400 CD LYS A 305 16.478 -6.887 -4.940 1.00 0.00 C ATOM 401 CE LYS A 305 15.509 -7.370 -3.857 1.00 0.00 C ATOM 402 NZ LYS A 305 16.068 -8.585 -3.198 1.00 0.00 N ATOM 0 H LYS A 305 14.905 -2.973 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 305 15.104 -3.931 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 305 14.036 -5.450 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.549 -6.093 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.881 -5.070 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.308 -4.796 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.384 -7.511 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 305 17.506 -6.983 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 305 15.350 -6.584 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.538 -7.596 -4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 15.411 -8.914 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 16.199 -9.335 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 16.985 -8.354 -2.765 1.00 0.00 H new ATOM 416 N MET A 306 12.427 -2.877 -5.941 1.00 0.00 N ATOM 417 CA MET A 306 11.015 -2.561 -6.236 1.00 0.00 C ATOM 418 C MET A 306 11.008 -1.652 -7.453 1.00 0.00 C ATOM 419 O MET A 306 10.033 -1.577 -8.175 1.00 0.00 O ATOM 420 CB MET A 306 10.360 -1.844 -5.055 1.00 0.00 C ATOM 421 CG MET A 306 8.844 -1.838 -5.250 1.00 0.00 C ATOM 422 SD MET A 306 8.050 -1.061 -3.815 1.00 0.00 S ATOM 423 CE MET A 306 7.326 -2.553 -3.088 1.00 0.00 C ATOM 0 H MET A 306 12.817 -2.437 -5.108 1.00 0.00 H new ATOM 0 HA MET A 306 10.453 -3.477 -6.420 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.617 -2.345 -4.122 1.00 0.00 H new ATOM 0 HB3 MET A 306 10.733 -0.823 -4.981 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.586 -1.295 -6.159 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.479 -2.858 -5.373 1.00 0.00 H new ATOM 0 HE1 MET A 306 6.711 -2.279 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 306 6.708 -3.057 -3.831 1.00 0.00 H new ATOM 0 HE3 MET A 306 8.122 -3.223 -2.764 1.00 0.00 H new ATOM 433 N ASN A 307 12.103 -0.970 -7.711 1.00 0.00 N ATOM 434 CA ASN A 307 12.132 -0.090 -8.910 1.00 0.00 C ATOM 435 C ASN A 307 12.391 -1.008 -10.100 1.00 0.00 C ATOM 436 O ASN A 307 11.806 -0.868 -11.155 1.00 0.00 O ATOM 437 CB ASN A 307 13.238 0.961 -8.783 1.00 0.00 C ATOM 438 CG ASN A 307 12.958 1.851 -7.571 1.00 0.00 C ATOM 439 OD1 ASN A 307 12.182 1.493 -6.706 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.560 3.004 -7.471 1.00 0.00 N ATOM 0 H ASN A 307 12.956 -0.988 -7.153 1.00 0.00 H new ATOM 0 HA ASN A 307 11.195 0.454 -9.027 1.00 0.00 H new ATOM 0 HB2 ASN A 307 14.207 0.474 -8.674 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.286 1.566 -9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.380 3.605 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.211 3.304 -8.197 1.00 0.00 H new ATOM 447 N GLN A 308 13.265 -1.983 -9.892 1.00 0.00 N ATOM 448 CA GLN A 308 13.584 -2.989 -10.966 1.00 0.00 C ATOM 449 C GLN A 308 12.309 -3.316 -11.735 1.00 0.00 C ATOM 450 O GLN A 308 12.311 -3.458 -12.942 1.00 0.00 O ATOM 451 CB GLN A 308 14.092 -4.281 -10.325 1.00 0.00 C ATOM 452 CG GLN A 308 14.593 -5.228 -11.418 1.00 0.00 C ATOM 453 CD GLN A 308 15.237 -6.457 -10.772 1.00 0.00 C ATOM 454 OE1 GLN A 308 14.750 -7.561 -10.923 1.00 0.00 O ATOM 455 NE2 GLN A 308 16.316 -6.313 -10.053 1.00 0.00 N ATOM 0 H GLN A 308 13.771 -2.121 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 308 14.342 -2.575 -11.631 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.896 -4.060 -9.623 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.293 -4.756 -9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 308 13.765 -5.532 -12.058 1.00 0.00 H new ATOM 0 HG3 GLN A 308 15.316 -4.717 -12.054 1.00 0.00 H new ATOM 0 HE21 GLN A 308 16.725 -5.387 -9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 308 16.751 -7.126 -9.618 1.00 0.00 H new ATOM 464 N VAL A 309 11.213 -3.421 -11.026 1.00 0.00 N ATOM 465 CA VAL A 309 9.906 -3.719 -11.698 1.00 0.00 C ATOM 466 C VAL A 309 9.748 -2.814 -12.928 1.00 0.00 C ATOM 467 O VAL A 309 8.904 -3.038 -13.773 1.00 0.00 O ATOM 468 CB VAL A 309 8.745 -3.460 -10.728 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.440 -3.948 -11.360 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.982 -4.217 -9.421 1.00 0.00 C ATOM 0 H VAL A 309 11.164 -3.314 -10.013 1.00 0.00 H new ATOM 0 HA VAL A 309 9.893 -4.765 -12.003 1.00 0.00 H new ATOM 0 HB VAL A 309 8.681 -2.392 -10.521 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.613 -3.766 -10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.264 -3.411 -12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.512 -5.016 -11.565 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.155 -4.029 -8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.048 -5.285 -9.626 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.913 -3.877 -8.967 1.00 0.00 H new ATOM 480 N CYS A 310 10.568 -1.806 -13.034 1.00 0.00 N ATOM 481 CA CYS A 310 10.497 -0.888 -14.203 1.00 0.00 C ATOM 482 C CYS A 310 11.303 -1.474 -15.367 1.00 0.00 C ATOM 483 O CYS A 310 10.767 -1.764 -16.418 1.00 0.00 O ATOM 484 CB CYS A 310 11.077 0.475 -13.812 1.00 0.00 C ATOM 485 SG CYS A 310 10.442 1.735 -14.942 1.00 0.00 S ATOM 0 H CYS A 310 11.292 -1.577 -12.353 1.00 0.00 H new ATOM 0 HA CYS A 310 9.458 -0.768 -14.510 1.00 0.00 H new ATOM 0 HB2 CYS A 310 10.804 0.719 -12.785 1.00 0.00 H new ATOM 0 HB3 CYS A 310 12.166 0.446 -13.854 1.00 0.00 H new ATOM 490 N GLY A 311 12.592 -1.645 -15.187 1.00 0.00 N ATOM 491 CA GLY A 311 13.451 -2.207 -16.278 1.00 0.00 C ATOM 492 C GLY A 311 13.872 -3.632 -15.917 1.00 0.00 C ATOM 493 O GLY A 311 14.300 -3.902 -14.813 1.00 0.00 O ATOM 0 H GLY A 311 13.088 -1.418 -14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 311 12.905 -2.206 -17.221 1.00 0.00 H new ATOM 0 HA3 GLY A 311 14.332 -1.581 -16.419 1.00 0.00 H new ATOM 928 N GLY B 593 -7.804 6.543 -1.247 1.00 0.00 N ATOM 929 CA GLY B 593 -6.494 6.089 -0.699 1.00 0.00 C ATOM 930 C GLY B 593 -5.393 7.048 -1.153 1.00 0.00 C ATOM 931 O GLY B 593 -5.367 7.484 -2.287 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.535 6.055 0.390 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.275 5.078 -1.042 1.00 0.00 H new ATOM 935 N SER B 594 -4.484 7.385 -0.279 1.00 0.00 N ATOM 936 CA SER B 594 -3.391 8.321 -0.667 1.00 0.00 C ATOM 937 C SER B 594 -2.332 7.586 -1.483 1.00 0.00 C ATOM 938 O SER B 594 -2.300 6.374 -1.548 1.00 0.00 O ATOM 939 CB SER B 594 -2.726 8.911 0.572 1.00 0.00 C ATOM 940 OG SER B 594 -3.641 9.772 1.237 1.00 0.00 O ATOM 0 H SER B 594 -4.451 7.053 0.685 1.00 0.00 H new ATOM 0 HA SER B 594 -3.830 9.121 -1.263 1.00 0.00 H new ATOM 0 HB2 SER B 594 -2.409 8.112 1.243 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.830 9.464 0.289 1.00 0.00 H new ATOM 0 HG SER B 594 -3.214 10.150 2.034 1.00 0.00 H new ATOM 946 N LEU B 595 -1.466 8.331 -2.105 1.00 0.00 N ATOM 947 CA LEU B 595 -0.384 7.731 -2.929 1.00 0.00 C ATOM 948 C LEU B 595 0.868 7.570 -2.061 1.00 0.00 C ATOM 949 O LEU B 595 1.391 8.541 -1.550 1.00 0.00 O ATOM 950 CB LEU B 595 -0.072 8.691 -4.077 1.00 0.00 C ATOM 951 CG LEU B 595 -1.227 8.735 -5.096 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.441 7.351 -5.736 1.00 0.00 C ATOM 953 CD2 LEU B 595 -2.522 9.199 -4.408 1.00 0.00 C ATOM 0 H LEU B 595 -1.462 9.351 -2.076 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.692 6.760 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.105 9.691 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU B 595 0.845 8.379 -4.576 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.965 9.444 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -2.261 7.404 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -0.530 7.043 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.684 6.625 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -3.332 9.227 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -2.778 8.505 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -2.376 10.195 -3.991 1.00 0.00 H new ATOM 965 N LEU B 596 1.355 6.358 -1.885 1.00 0.00 N ATOM 966 CA LEU B 596 2.583 6.143 -1.037 1.00 0.00 C ATOM 967 C LEU B 596 3.621 5.329 -1.828 1.00 0.00 C ATOM 968 O LEU B 596 3.299 4.647 -2.782 1.00 0.00 O ATOM 969 CB LEU B 596 2.200 5.404 0.265 1.00 0.00 C ATOM 970 CG LEU B 596 0.759 5.775 0.696 1.00 0.00 C ATOM 971 CD1 LEU B 596 -0.248 4.792 0.080 1.00 0.00 C ATOM 972 CD2 LEU B 596 0.638 5.707 2.224 1.00 0.00 C ATOM 0 H LEU B 596 0.958 5.510 -2.290 1.00 0.00 H new ATOM 0 HA LEU B 596 3.016 7.109 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.275 4.327 0.114 1.00 0.00 H new ATOM 0 HB3 LEU B 596 2.901 5.664 1.058 1.00 0.00 H new ATOM 0 HG LEU B 596 0.545 6.786 0.349 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -1.257 5.063 0.390 1.00 0.00 H new ATOM 0 HD12 LEU B 596 -0.179 4.834 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU B 596 -0.023 3.781 0.419 1.00 0.00 H new ATOM 0 HD21 LEU B 596 -0.378 5.969 2.521 1.00 0.00 H new ATOM 0 HD22 LEU B 596 0.865 4.696 2.562 1.00 0.00 H new ATOM 0 HD23 LEU B 596 1.340 6.408 2.676 1.00 0.00 H new ATOM 984 N ARG B 597 4.874 5.418 -1.442 1.00 0.00 N ATOM 985 CA ARG B 597 5.959 4.677 -2.166 1.00 0.00 C ATOM 986 C ARG B 597 6.347 3.404 -1.395 1.00 0.00 C ATOM 987 O ARG B 597 5.513 2.743 -0.808 1.00 0.00 O ATOM 988 CB ARG B 597 7.193 5.588 -2.317 1.00 0.00 C ATOM 989 CG ARG B 597 6.746 7.046 -2.513 1.00 0.00 C ATOM 990 CD ARG B 597 5.828 7.169 -3.745 1.00 0.00 C ATOM 991 NE ARG B 597 6.176 8.413 -4.505 1.00 0.00 N ATOM 992 CZ ARG B 597 6.317 9.561 -3.895 1.00 0.00 C ATOM 993 NH1 ARG B 597 6.006 9.685 -2.636 1.00 0.00 N ATOM 994 NH2 ARG B 597 6.730 10.603 -4.564 1.00 0.00 N ATOM 0 H ARG B 597 5.193 5.976 -0.650 1.00 0.00 H new ATOM 0 HA ARG B 597 5.592 4.391 -3.152 1.00 0.00 H new ATOM 0 HB2 ARG B 597 7.825 5.508 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG B 597 7.793 5.265 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG B 597 6.220 7.394 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG B 597 7.619 7.687 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG B 597 5.942 6.295 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG B 597 4.784 7.201 -3.432 1.00 0.00 H new ATOM 0 HE ARG B 597 6.305 8.363 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG B 597 5.649 8.882 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG B 597 6.119 10.585 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG B 597 6.941 10.520 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG B 597 6.841 11.501 -4.092 1.00 0.00 H new ATOM 1008 N CYS B 598 7.608 3.044 -1.422 1.00 0.00 N ATOM 1009 CA CYS B 598 8.056 1.798 -0.725 1.00 0.00 C ATOM 1010 C CYS B 598 8.271 2.054 0.771 1.00 0.00 C ATOM 1011 O CYS B 598 7.344 1.992 1.553 1.00 0.00 O ATOM 1012 CB CYS B 598 9.362 1.307 -1.353 1.00 0.00 C ATOM 1013 SG CYS B 598 10.507 2.693 -1.557 1.00 0.00 S ATOM 0 H CYS B 598 8.347 3.561 -1.898 1.00 0.00 H new ATOM 0 HA CYS B 598 7.281 1.040 -0.836 1.00 0.00 H new ATOM 0 HB2 CYS B 598 9.813 0.541 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.160 0.846 -2.320 1.00 0.00 H new ATOM 1018 N SER B 599 9.492 2.326 1.178 1.00 0.00 N ATOM 1019 CA SER B 599 9.768 2.572 2.630 1.00 0.00 C ATOM 1020 C SER B 599 8.687 3.491 3.192 1.00 0.00 C ATOM 1021 O SER B 599 8.421 3.532 4.389 1.00 0.00 O ATOM 1022 CB SER B 599 11.136 3.239 2.783 1.00 0.00 C ATOM 1023 OG SER B 599 11.338 3.588 4.146 1.00 0.00 O ATOM 0 H SER B 599 10.306 2.388 0.567 1.00 0.00 H new ATOM 0 HA SER B 599 9.766 1.626 3.172 1.00 0.00 H new ATOM 0 HB2 SER B 599 11.923 2.563 2.448 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.192 4.129 2.156 1.00 0.00 H new ATOM 0 HG SER B 599 12.214 4.014 4.248 1.00 0.00 H new ATOM 1029 N GLU B 600 8.037 4.210 2.320 1.00 0.00 N ATOM 1030 CA GLU B 600 6.947 5.111 2.753 1.00 0.00 C ATOM 1031 C GLU B 600 6.035 4.330 3.699 1.00 0.00 C ATOM 1032 O GLU B 600 5.474 4.846 4.653 1.00 0.00 O ATOM 1033 CB GLU B 600 6.147 5.528 1.504 1.00 0.00 C ATOM 1034 CG GLU B 600 5.406 6.848 1.764 1.00 0.00 C ATOM 1035 CD GLU B 600 6.412 7.994 1.898 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.073 8.295 0.918 1.00 0.00 O ATOM 1037 OE2 GLU B 600 6.501 8.553 2.979 1.00 0.00 O ATOM 0 H GLU B 600 8.221 4.208 1.317 1.00 0.00 H new ATOM 0 HA GLU B 600 7.341 5.994 3.257 1.00 0.00 H new ATOM 0 HB2 GLU B 600 6.820 5.642 0.654 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.433 4.747 1.243 1.00 0.00 H new ATOM 0 HG2 GLU B 600 4.714 7.054 0.947 1.00 0.00 H new ATOM 0 HG3 GLU B 600 4.810 6.768 2.673 1.00 0.00 H new ATOM 1044 N ILE B 601 5.872 3.063 3.401 1.00 0.00 N ATOM 1045 CA ILE B 601 4.986 2.215 4.224 1.00 0.00 C ATOM 1046 C ILE B 601 5.683 1.960 5.560 1.00 0.00 C ATOM 1047 O ILE B 601 5.061 1.837 6.593 1.00 0.00 O ATOM 1048 CB ILE B 601 4.711 0.896 3.450 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.357 0.985 2.732 1.00 0.00 C ATOM 1050 CG2 ILE B 601 4.680 -0.316 4.386 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.419 2.053 1.638 1.00 0.00 C ATOM 0 H ILE B 601 6.321 2.588 2.618 1.00 0.00 H new ATOM 0 HA ILE B 601 4.028 2.696 4.421 1.00 0.00 H new ATOM 0 HB ILE B 601 5.522 0.767 2.733 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.102 0.019 2.296 1.00 0.00 H new ATOM 0 HG13 ILE B 601 2.571 1.229 3.447 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.485 -1.218 3.806 1.00 0.00 H new ATOM 0 HG22 ILE B 601 5.641 -0.410 4.892 1.00 0.00 H new ATOM 0 HG23 ILE B 601 3.892 -0.183 5.127 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.455 2.112 1.132 1.00 0.00 H new ATOM 0 HD12 ILE B 601 3.653 3.019 2.085 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.192 1.790 0.916 1.00 0.00 H new ATOM 1063 N TRP B 602 6.999 1.879 5.533 1.00 0.00 N ATOM 1064 CA TRP B 602 7.767 1.641 6.790 1.00 0.00 C ATOM 1065 C TRP B 602 7.199 2.568 7.849 1.00 0.00 C ATOM 1066 O TRP B 602 7.056 2.212 9.001 1.00 0.00 O ATOM 1067 CB TRP B 602 9.249 1.955 6.563 1.00 0.00 C ATOM 1068 CG TRP B 602 10.056 1.429 7.706 1.00 0.00 C ATOM 1069 CD1 TRP B 602 10.421 2.145 8.794 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.605 0.092 7.893 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.158 1.333 9.637 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.300 0.058 9.125 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.568 -1.084 7.120 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 11.935 -1.100 9.575 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.208 -2.251 7.571 1.00 0.00 C ATOM 1076 CH2 TRP B 602 11.889 -2.258 8.796 1.00 0.00 C ATOM 0 H TRP B 602 7.567 1.968 4.691 1.00 0.00 H new ATOM 0 HA TRP B 602 7.683 0.600 7.103 1.00 0.00 H new ATOM 0 HB2 TRP B 602 9.587 1.506 5.629 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.392 3.031 6.469 1.00 0.00 H new ATOM 0 HD1 TRP B 602 10.177 3.181 8.975 1.00 0.00 H new ATOM 0 HE1 TRP B 602 11.549 1.639 10.528 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.045 -1.089 6.175 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.459 -1.101 10.520 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.175 -3.148 6.970 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.378 -3.159 9.137 1.00 0.00 H new ATOM 1087 N ASP B 603 6.826 3.749 7.442 1.00 0.00 N ATOM 1088 CA ASP B 603 6.208 4.694 8.405 1.00 0.00 C ATOM 1089 C ASP B 603 4.812 4.164 8.748 1.00 0.00 C ATOM 1090 O ASP B 603 4.395 4.176 9.889 1.00 0.00 O ATOM 1091 CB ASP B 603 6.092 6.078 7.767 1.00 0.00 C ATOM 1092 CG ASP B 603 5.740 7.107 8.843 1.00 0.00 C ATOM 1093 OD1 ASP B 603 6.194 6.943 9.964 1.00 0.00 O ATOM 1094 OD2 ASP B 603 5.020 8.041 8.530 1.00 0.00 O ATOM 0 H ASP B 603 6.923 4.097 6.488 1.00 0.00 H new ATOM 0 HA ASP B 603 6.818 4.776 9.305 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.031 6.348 7.284 1.00 0.00 H new ATOM 0 HB3 ASP B 603 5.326 6.070 6.992 1.00 0.00 H new ATOM 1099 N ARG B 604 4.091 3.680 7.764 1.00 0.00 N ATOM 1100 CA ARG B 604 2.725 3.127 8.037 1.00 0.00 C ATOM 1101 C ARG B 604 2.835 1.969 9.042 1.00 0.00 C ATOM 1102 O ARG B 604 2.001 1.794 9.907 1.00 0.00 O ATOM 1103 CB ARG B 604 2.101 2.603 6.732 1.00 0.00 C ATOM 1104 CG ARG B 604 1.851 3.769 5.752 1.00 0.00 C ATOM 1105 CD ARG B 604 0.478 4.405 6.019 1.00 0.00 C ATOM 1106 NE ARG B 604 0.346 5.685 5.244 1.00 0.00 N ATOM 1107 CZ ARG B 604 1.164 6.690 5.426 1.00 0.00 C ATOM 1108 NH1 ARG B 604 2.032 6.673 6.399 1.00 0.00 N ATOM 1109 NH2 ARG B 604 1.078 7.740 4.656 1.00 0.00 N ATOM 0 H ARG B 604 4.387 3.644 6.789 1.00 0.00 H new ATOM 0 HA ARG B 604 2.096 3.917 8.447 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.763 1.869 6.273 1.00 0.00 H new ATOM 0 HB3 ARG B 604 1.162 2.093 6.949 1.00 0.00 H new ATOM 0 HG2 ARG B 604 2.634 4.519 5.861 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.898 3.406 4.725 1.00 0.00 H new ATOM 0 HD2 ARG B 604 -0.314 3.713 5.733 1.00 0.00 H new ATOM 0 HD3 ARG B 604 0.360 4.601 7.085 1.00 0.00 H new ATOM 0 HE ARG B 604 -0.402 5.773 4.557 1.00 0.00 H new ATOM 0 HH11 ARG B 604 2.078 5.871 7.027 1.00 0.00 H new ATOM 0 HH12 ARG B 604 2.665 7.462 6.532 1.00 0.00 H new ATOM 0 HH21 ARG B 604 0.376 7.774 3.917 1.00 0.00 H new ATOM 0 HH22 ARG B 604 1.713 8.526 4.793 1.00 0.00 H new ATOM 1123 N ILE B 605 3.866 1.173 8.910 1.00 0.00 N ATOM 1124 CA ILE B 605 4.085 -0.001 9.815 1.00 0.00 C ATOM 1125 C ILE B 605 4.861 0.407 11.078 1.00 0.00 C ATOM 1126 O ILE B 605 4.468 0.088 12.182 1.00 0.00 O ATOM 1127 CB ILE B 605 4.906 -1.046 9.042 1.00 0.00 C ATOM 1128 CG1 ILE B 605 4.020 -1.674 7.963 1.00 0.00 C ATOM 1129 CG2 ILE B 605 5.396 -2.149 9.990 1.00 0.00 C ATOM 1130 CD1 ILE B 605 4.883 -2.463 6.974 1.00 0.00 C ATOM 0 H ILE B 605 4.584 1.290 8.195 1.00 0.00 H new ATOM 0 HA ILE B 605 3.119 -0.401 10.124 1.00 0.00 H new ATOM 0 HB ILE B 605 5.769 -0.557 8.590 1.00 0.00 H new ATOM 0 HG12 ILE B 605 3.284 -2.333 8.423 1.00 0.00 H new ATOM 0 HG13 ILE B 605 3.467 -0.896 7.436 1.00 0.00 H new ATOM 0 HG21 ILE B 605 5.976 -2.881 9.428 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.022 -1.710 10.767 1.00 0.00 H new ATOM 0 HG23 ILE B 605 4.539 -2.641 10.450 1.00 0.00 H new ATOM 0 HD11 ILE B 605 4.246 -2.907 6.209 1.00 0.00 H new ATOM 0 HD12 ILE B 605 5.602 -1.793 6.503 1.00 0.00 H new ATOM 0 HD13 ILE B 605 5.416 -3.252 7.505 1.00 0.00 H new ATOM 1142 N THR B 606 5.966 1.081 10.926 1.00 0.00 N ATOM 1143 CA THR B 606 6.773 1.474 12.121 1.00 0.00 C ATOM 1144 C THR B 606 5.869 2.041 13.221 1.00 0.00 C ATOM 1145 O THR B 606 6.167 1.932 14.395 1.00 0.00 O ATOM 1146 CB THR B 606 7.802 2.528 11.714 1.00 0.00 C ATOM 1147 OG1 THR B 606 8.690 1.973 10.754 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.593 2.974 12.945 1.00 0.00 C ATOM 0 H THR B 606 6.348 1.378 10.028 1.00 0.00 H new ATOM 0 HA THR B 606 7.280 0.590 12.507 1.00 0.00 H new ATOM 0 HB THR B 606 7.291 3.389 11.283 1.00 0.00 H new ATOM 0 HG1 THR B 606 8.598 2.455 9.906 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.327 3.726 12.653 1.00 0.00 H new ATOM 0 HG22 THR B 606 7.911 3.399 13.681 1.00 0.00 H new ATOM 0 HG23 THR B 606 9.106 2.116 13.379 1.00 0.00 H new ATOM 1267 N ILE B 614 2.802 -9.689 11.696 1.00 0.00 N ATOM 1268 CA ILE B 614 2.815 -9.343 10.244 1.00 0.00 C ATOM 1269 C ILE B 614 3.897 -10.142 9.508 1.00 0.00 C ATOM 1270 O ILE B 614 4.781 -10.720 10.109 1.00 0.00 O ATOM 1271 CB ILE B 614 3.090 -7.845 10.087 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.018 -7.053 10.841 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.058 -7.465 8.602 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.439 -5.586 10.936 1.00 0.00 C ATOM 0 HA ILE B 614 1.846 -9.592 9.813 1.00 0.00 H new ATOM 0 HB ILE B 614 4.074 -7.612 10.495 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.061 -7.135 10.326 1.00 0.00 H new ATOM 0 HG13 ILE B 614 1.879 -7.468 11.839 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.254 -6.398 8.495 1.00 0.00 H new ATOM 0 HG22 ILE B 614 3.820 -8.030 8.065 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.077 -7.697 8.188 1.00 0.00 H new ATOM 0 HD11 ILE B 614 1.676 -5.022 11.473 1.00 0.00 H new ATOM 0 HD12 ILE B 614 3.386 -5.513 11.470 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.555 -5.175 9.933 1.00 0.00 H new ATOM 1286 N ASP B 615 3.828 -10.170 8.200 1.00 0.00 N ATOM 1287 CA ASP B 615 4.838 -10.911 7.382 1.00 0.00 C ATOM 1288 C ASP B 615 5.460 -9.933 6.387 1.00 0.00 C ATOM 1289 O ASP B 615 4.768 -9.289 5.628 1.00 0.00 O ATOM 1290 CB ASP B 615 4.147 -12.044 6.621 1.00 0.00 C ATOM 1291 CG ASP B 615 3.518 -13.020 7.616 1.00 0.00 C ATOM 1292 OD1 ASP B 615 2.848 -12.559 8.526 1.00 0.00 O ATOM 1293 OD2 ASP B 615 3.717 -14.213 7.453 1.00 0.00 O ATOM 0 H ASP B 615 3.103 -9.703 7.656 1.00 0.00 H new ATOM 0 HA ASP B 615 5.609 -11.334 8.027 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.381 -11.638 5.960 1.00 0.00 H new ATOM 0 HB3 ASP B 615 4.868 -12.565 5.991 1.00 0.00 H new ATOM 1298 N VAL B 616 6.757 -9.815 6.387 1.00 0.00 N ATOM 1299 CA VAL B 616 7.418 -8.872 5.440 1.00 0.00 C ATOM 1300 C VAL B 616 7.488 -9.513 4.049 1.00 0.00 C ATOM 1301 O VAL B 616 7.688 -8.847 3.048 1.00 0.00 O ATOM 1302 CB VAL B 616 8.830 -8.559 5.940 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.521 -7.610 4.958 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.742 -7.890 7.316 1.00 0.00 C ATOM 0 H VAL B 616 7.389 -10.329 7.000 1.00 0.00 H new ATOM 0 HA VAL B 616 6.844 -7.947 5.380 1.00 0.00 H new ATOM 0 HB VAL B 616 9.403 -9.483 6.016 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.527 -7.387 5.314 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.580 -8.081 3.977 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.949 -6.685 4.883 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.746 -7.665 7.676 1.00 0.00 H new ATOM 0 HG22 VAL B 616 8.170 -6.966 7.235 1.00 0.00 H new ATOM 0 HG23 VAL B 616 8.247 -8.563 8.017 1.00 0.00 H new ATOM 1314 N ASP B 617 7.326 -10.806 3.980 1.00 0.00 N ATOM 1315 CA ASP B 617 7.395 -11.502 2.661 1.00 0.00 C ATOM 1316 C ASP B 617 6.100 -11.292 1.872 1.00 0.00 C ATOM 1317 O ASP B 617 6.120 -11.132 0.668 1.00 0.00 O ATOM 1318 CB ASP B 617 7.609 -13.000 2.889 1.00 0.00 C ATOM 1319 CG ASP B 617 7.889 -13.685 1.551 1.00 0.00 C ATOM 1320 OD1 ASP B 617 6.993 -13.715 0.723 1.00 0.00 O ATOM 1321 OD2 ASP B 617 8.996 -14.168 1.375 1.00 0.00 O ATOM 0 H ASP B 617 7.149 -11.413 4.781 1.00 0.00 H new ATOM 0 HA ASP B 617 8.226 -11.087 2.090 1.00 0.00 H new ATOM 0 HB2 ASP B 617 8.443 -13.159 3.573 1.00 0.00 H new ATOM 0 HB3 ASP B 617 6.726 -13.437 3.356 1.00 0.00 H new ATOM 1326 N GLY B 618 4.974 -11.299 2.529 1.00 0.00 N ATOM 1327 CA GLY B 618 3.689 -11.108 1.796 1.00 0.00 C ATOM 1328 C GLY B 618 3.629 -9.694 1.222 1.00 0.00 C ATOM 1329 O GLY B 618 3.231 -9.490 0.093 1.00 0.00 O ATOM 0 H GLY B 618 4.886 -11.428 3.537 1.00 0.00 H new ATOM 0 HA2 GLY B 618 3.605 -11.841 0.993 1.00 0.00 H new ATOM 0 HA3 GLY B 618 2.847 -11.274 2.469 1.00 0.00 H new ATOM 1333 N LEU B 619 4.029 -8.713 1.982 1.00 0.00 N ATOM 1334 CA LEU B 619 3.995 -7.324 1.449 1.00 0.00 C ATOM 1335 C LEU B 619 4.968 -7.261 0.271 1.00 0.00 C ATOM 1336 O LEU B 619 4.838 -6.449 -0.621 1.00 0.00 O ATOM 1337 CB LEU B 619 4.393 -6.294 2.538 1.00 0.00 C ATOM 1338 CG LEU B 619 4.373 -6.946 3.921 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.729 -5.883 4.969 1.00 0.00 C ATOM 1340 CD2 LEU B 619 2.977 -7.552 4.221 1.00 0.00 C ATOM 0 H LEU B 619 4.374 -8.811 2.937 1.00 0.00 H new ATOM 0 HA LEU B 619 2.984 -7.072 1.129 1.00 0.00 H new ATOM 0 HB2 LEU B 619 5.388 -5.900 2.329 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.705 -5.449 2.517 1.00 0.00 H new ATOM 0 HG LEU B 619 5.101 -7.756 3.952 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.719 -6.333 5.962 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.722 -5.485 4.761 1.00 0.00 H new ATOM 0 HD13 LEU B 619 3.999 -5.075 4.930 1.00 0.00 H new ATOM 0 HD21 LEU B 619 2.984 -8.011 5.210 1.00 0.00 H new ATOM 0 HD22 LEU B 619 2.224 -6.764 4.192 1.00 0.00 H new ATOM 0 HD23 LEU B 619 2.740 -8.308 3.472 1.00 0.00 H new ATOM 1352 N CYS B 620 5.952 -8.122 0.270 1.00 0.00 N ATOM 1353 CA CYS B 620 6.946 -8.119 -0.836 1.00 0.00 C ATOM 1354 C CYS B 620 6.307 -8.588 -2.151 1.00 0.00 C ATOM 1355 O CYS B 620 6.309 -7.874 -3.124 1.00 0.00 O ATOM 1356 CB CYS B 620 8.108 -9.048 -0.477 1.00 0.00 C ATOM 1357 SG CYS B 620 9.513 -8.701 -1.565 1.00 0.00 S ATOM 0 H CYS B 620 6.108 -8.827 0.990 1.00 0.00 H new ATOM 0 HA CYS B 620 7.309 -7.100 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.396 -8.903 0.564 1.00 0.00 H new ATOM 0 HB3 CYS B 620 7.802 -10.089 -0.581 1.00 0.00 H new ATOM 0 HG CYS B 620 10.502 -9.488 -1.261 1.00 0.00 H new ATOM 1363 N SER B 621 5.761 -9.776 -2.203 1.00 0.00 N ATOM 1364 CA SER B 621 5.149 -10.248 -3.491 1.00 0.00 C ATOM 1365 C SER B 621 3.788 -9.580 -3.710 1.00 0.00 C ATOM 1366 O SER B 621 3.153 -9.766 -4.728 1.00 0.00 O ATOM 1367 CB SER B 621 5.008 -11.770 -3.496 1.00 0.00 C ATOM 1368 OG SER B 621 6.263 -12.358 -3.176 1.00 0.00 O ATOM 0 H SER B 621 5.710 -10.434 -1.425 1.00 0.00 H new ATOM 0 HA SER B 621 5.810 -9.965 -4.311 1.00 0.00 H new ATOM 0 HB2 SER B 621 4.253 -12.079 -2.773 1.00 0.00 H new ATOM 0 HB3 SER B 621 4.672 -12.113 -4.475 1.00 0.00 H new ATOM 0 HG SER B 621 6.177 -13.334 -3.176 1.00 0.00 H new ATOM 1374 N GLU B 622 3.357 -8.779 -2.786 1.00 0.00 N ATOM 1375 CA GLU B 622 2.061 -8.058 -2.949 1.00 0.00 C ATOM 1376 C GLU B 622 2.334 -6.625 -3.420 1.00 0.00 C ATOM 1377 O GLU B 622 1.714 -6.146 -4.348 1.00 0.00 O ATOM 1378 CB GLU B 622 1.327 -8.021 -1.612 1.00 0.00 C ATOM 1379 CG GLU B 622 0.789 -9.418 -1.291 1.00 0.00 C ATOM 1380 CD GLU B 622 0.333 -9.467 0.168 1.00 0.00 C ATOM 1381 OE1 GLU B 622 1.095 -9.041 1.021 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -0.770 -9.929 0.408 1.00 0.00 O ATOM 0 H GLU B 622 3.848 -8.587 -1.913 1.00 0.00 H new ATOM 0 HA GLU B 622 1.446 -8.575 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.001 -7.688 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.507 -7.304 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU B 622 -0.044 -9.659 -1.952 1.00 0.00 H new ATOM 0 HG3 GLU B 622 1.562 -10.166 -1.467 1.00 0.00 H new ATOM 1389 N LEU B 623 3.249 -5.925 -2.795 1.00 0.00 N ATOM 1390 CA LEU B 623 3.533 -4.520 -3.231 1.00 0.00 C ATOM 1391 C LEU B 623 4.595 -4.509 -4.349 1.00 0.00 C ATOM 1392 O LEU B 623 4.732 -3.537 -5.067 1.00 0.00 O ATOM 1393 CB LEU B 623 4.054 -3.693 -2.038 1.00 0.00 C ATOM 1394 CG LEU B 623 2.902 -3.301 -1.086 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.541 -4.481 -0.181 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.343 -2.117 -0.212 1.00 0.00 C ATOM 0 H LEU B 623 3.807 -6.260 -2.010 1.00 0.00 H new ATOM 0 HA LEU B 623 2.607 -4.084 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.801 -4.268 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.549 -2.794 -2.404 1.00 0.00 H new ATOM 0 HG LEU B 623 2.032 -3.023 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.728 -4.193 0.486 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.226 -5.326 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.411 -4.766 0.410 1.00 0.00 H new ATOM 0 HD21 LEU B 623 2.531 -1.839 0.460 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.217 -2.402 0.373 1.00 0.00 H new ATOM 0 HD23 LEU B 623 3.594 -1.268 -0.849 1.00 0.00 H new ATOM 1408 N MET B 624 5.380 -5.552 -4.478 1.00 0.00 N ATOM 1409 CA MET B 624 6.463 -5.557 -5.519 1.00 0.00 C ATOM 1410 C MET B 624 5.907 -5.675 -6.944 1.00 0.00 C ATOM 1411 O MET B 624 6.488 -5.149 -7.870 1.00 0.00 O ATOM 1412 CB MET B 624 7.423 -6.722 -5.263 1.00 0.00 C ATOM 1413 CG MET B 624 8.552 -6.694 -6.292 1.00 0.00 C ATOM 1414 SD MET B 624 9.827 -7.888 -5.817 1.00 0.00 S ATOM 1415 CE MET B 624 11.011 -7.489 -7.126 1.00 0.00 C ATOM 0 H MET B 624 5.320 -6.398 -3.911 1.00 0.00 H new ATOM 0 HA MET B 624 6.985 -4.603 -5.441 1.00 0.00 H new ATOM 0 HB2 MET B 624 7.834 -6.653 -4.256 1.00 0.00 H new ATOM 0 HB3 MET B 624 6.886 -7.669 -5.324 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.163 -6.935 -7.282 1.00 0.00 H new ATOM 0 HG3 MET B 624 8.980 -5.693 -6.352 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.893 -8.121 -7.023 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.551 -7.664 -8.099 1.00 0.00 H new ATOM 0 HE3 MET B 624 11.303 -6.442 -7.046 1.00 0.00 H new ATOM 1425 N ALA B 625 4.802 -6.350 -7.145 1.00 0.00 N ATOM 1426 CA ALA B 625 4.240 -6.480 -8.536 1.00 0.00 C ATOM 1427 C ALA B 625 3.061 -5.526 -8.698 1.00 0.00 C ATOM 1428 O ALA B 625 2.542 -5.356 -9.784 1.00 0.00 O ATOM 1429 CB ALA B 625 3.812 -7.921 -8.817 1.00 0.00 C ATOM 0 H ALA B 625 4.264 -6.816 -6.414 1.00 0.00 H new ATOM 0 HA ALA B 625 5.014 -6.218 -9.258 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.409 -7.990 -9.827 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.674 -8.581 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.047 -8.220 -8.100 1.00 0.00 H new ATOM 1435 N LYS B 626 2.673 -4.850 -7.654 1.00 0.00 N ATOM 1436 CA LYS B 626 1.574 -3.848 -7.784 1.00 0.00 C ATOM 1437 C LYS B 626 2.242 -2.487 -8.002 1.00 0.00 C ATOM 1438 O LYS B 626 1.612 -1.510 -8.355 1.00 0.00 O ATOM 1439 CB LYS B 626 0.733 -3.827 -6.504 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.167 -5.065 -6.464 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.165 -4.934 -5.313 1.00 0.00 C ATOM 1442 CE LYS B 626 -1.855 -6.279 -5.076 1.00 0.00 C ATOM 1443 NZ LYS B 626 -0.832 -7.318 -4.773 1.00 0.00 N ATOM 0 H LYS B 626 3.066 -4.946 -6.718 1.00 0.00 H new ATOM 0 HA LYS B 626 0.911 -4.094 -8.614 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.383 -3.809 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.126 -2.922 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -0.698 -5.172 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS B 626 0.437 -5.963 -6.335 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -0.651 -4.613 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.906 -4.170 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -2.560 -6.197 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.429 -6.565 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -1.154 -7.900 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -0.693 -7.923 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 0.067 -6.858 -4.526 1.00 0.00 H new ATOM 1457 N ALA B 627 3.532 -2.440 -7.785 1.00 0.00 N ATOM 1458 CA ALA B 627 4.309 -1.177 -7.959 1.00 0.00 C ATOM 1459 C ALA B 627 3.994 -0.530 -9.311 1.00 0.00 C ATOM 1460 O ALA B 627 3.692 -1.201 -10.279 1.00 0.00 O ATOM 1461 CB ALA B 627 5.803 -1.504 -7.892 1.00 0.00 C ATOM 0 H ALA B 627 4.090 -3.241 -7.489 1.00 0.00 H new ATOM 0 HA ALA B 627 4.035 -0.479 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.382 -0.589 -8.018 1.00 0.00 H new ATOM 0 HB2 ALA B 627 6.035 -1.950 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA B 627 6.058 -2.206 -8.686 1.00 0.00 H new ATOM 1467 N LYS B 628 4.078 0.777 -9.376 1.00 0.00 N ATOM 1468 CA LYS B 628 3.806 1.512 -10.654 1.00 0.00 C ATOM 1469 C LYS B 628 5.026 2.373 -10.991 1.00 0.00 C ATOM 1470 O LYS B 628 5.165 3.483 -10.513 1.00 0.00 O ATOM 1471 CB LYS B 628 2.581 2.416 -10.468 1.00 0.00 C ATOM 1472 CG LYS B 628 2.085 2.928 -11.837 1.00 0.00 C ATOM 1473 CD LYS B 628 1.115 1.911 -12.472 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.310 2.144 -11.952 1.00 0.00 C ATOM 1475 NZ LYS B 628 -1.247 1.210 -12.636 1.00 0.00 N ATOM 0 H LYS B 628 4.327 1.374 -8.588 1.00 0.00 H new ATOM 0 HA LYS B 628 3.614 0.804 -11.460 1.00 0.00 H new ATOM 0 HB2 LYS B 628 1.785 1.864 -9.968 1.00 0.00 H new ATOM 0 HB3 LYS B 628 2.836 3.260 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS B 628 1.585 3.889 -11.714 1.00 0.00 H new ATOM 0 HG3 LYS B 628 2.934 3.093 -12.500 1.00 0.00 H new ATOM 0 HD2 LYS B 628 1.134 2.007 -13.558 1.00 0.00 H new ATOM 0 HD3 LYS B 628 1.435 0.896 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -0.345 1.987 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -0.611 3.176 -12.134 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -2.213 1.368 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -1.220 1.381 -13.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -0.963 0.229 -12.441 1.00 0.00 H new ATOM 1489 N CYS B 629 5.926 1.851 -11.780 1.00 0.00 N ATOM 1490 CA CYS B 629 7.162 2.615 -12.126 1.00 0.00 C ATOM 1491 C CYS B 629 6.825 4.023 -12.627 1.00 0.00 C ATOM 1492 O CYS B 629 6.153 4.216 -13.620 1.00 0.00 O ATOM 1493 CB CYS B 629 7.959 1.871 -13.200 1.00 0.00 C ATOM 1494 SG CYS B 629 9.316 2.930 -13.768 1.00 0.00 S ATOM 0 H CYS B 629 5.859 0.925 -12.202 1.00 0.00 H new ATOM 0 HA CYS B 629 7.761 2.704 -11.220 1.00 0.00 H new ATOM 0 HB2 CYS B 629 8.353 0.938 -12.798 1.00 0.00 H new ATOM 0 HB3 CYS B 629 7.311 1.609 -14.036 1.00 0.00 H new ATOM 1499 N SER B 630 7.338 5.000 -11.930 1.00 0.00 N ATOM 1500 CA SER B 630 7.131 6.429 -12.308 1.00 0.00 C ATOM 1501 C SER B 630 8.427 7.182 -12.004 1.00 0.00 C ATOM 1502 O SER B 630 9.232 6.726 -11.215 1.00 0.00 O ATOM 1503 CB SER B 630 5.984 7.022 -11.488 1.00 0.00 C ATOM 1504 OG SER B 630 6.459 7.366 -10.193 1.00 0.00 O ATOM 0 H SER B 630 7.906 4.864 -11.094 1.00 0.00 H new ATOM 0 HA SER B 630 6.878 6.512 -13.365 1.00 0.00 H new ATOM 0 HB2 SER B 630 5.584 7.905 -11.987 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.169 6.303 -11.409 1.00 0.00 H new ATOM 0 HG SER B 630 6.714 6.552 -9.711 1.00 0.00 H new ATOM 1510 N GLU B 631 8.658 8.321 -12.600 1.00 0.00 N ATOM 1511 CA GLU B 631 9.922 9.050 -12.294 1.00 0.00 C ATOM 1512 C GLU B 631 9.939 9.397 -10.807 1.00 0.00 C ATOM 1513 O GLU B 631 10.985 9.559 -10.212 1.00 0.00 O ATOM 1514 CB GLU B 631 10.015 10.321 -13.141 1.00 0.00 C ATOM 1515 CG GLU B 631 11.416 10.921 -13.012 1.00 0.00 C ATOM 1516 CD GLU B 631 11.521 12.164 -13.899 1.00 0.00 C ATOM 1517 OE1 GLU B 631 10.569 12.925 -13.934 1.00 0.00 O ATOM 1518 OE2 GLU B 631 12.552 12.333 -14.528 1.00 0.00 O ATOM 0 H GLU B 631 8.039 8.772 -13.274 1.00 0.00 H new ATOM 0 HA GLU B 631 10.780 8.421 -12.532 1.00 0.00 H new ATOM 0 HB2 GLU B 631 9.801 10.091 -14.185 1.00 0.00 H new ATOM 0 HB3 GLU B 631 9.267 11.044 -12.814 1.00 0.00 H new ATOM 0 HG2 GLU B 631 11.617 11.184 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU B 631 12.166 10.187 -13.306 1.00 0.00 H new ATOM 1525 N ARG B 632 8.794 9.471 -10.189 1.00 0.00 N ATOM 1526 CA ARG B 632 8.757 9.758 -8.729 1.00 0.00 C ATOM 1527 C ARG B 632 8.988 8.433 -7.998 1.00 0.00 C ATOM 1528 O ARG B 632 8.538 8.223 -6.890 1.00 0.00 O ATOM 1529 CB ARG B 632 7.389 10.332 -8.353 1.00 0.00 C ATOM 1530 CG ARG B 632 7.178 11.662 -9.080 1.00 0.00 C ATOM 1531 CD ARG B 632 5.820 12.251 -8.694 1.00 0.00 C ATOM 1532 NE ARG B 632 5.776 12.478 -7.222 1.00 0.00 N ATOM 1533 CZ ARG B 632 4.852 13.243 -6.707 1.00 0.00 C ATOM 1534 NH1 ARG B 632 3.969 13.811 -7.482 1.00 0.00 N ATOM 1535 NH2 ARG B 632 4.810 13.439 -5.417 1.00 0.00 N ATOM 0 H ARG B 632 7.883 9.345 -10.631 1.00 0.00 H new ATOM 0 HA ARG B 632 9.521 10.485 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG B 632 6.601 9.629 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG B 632 7.329 10.481 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.975 12.359 -8.821 1.00 0.00 H new ATOM 0 HG3 ARG B 632 7.226 11.510 -10.158 1.00 0.00 H new ATOM 0 HD2 ARG B 632 5.656 13.190 -9.222 1.00 0.00 H new ATOM 0 HD3 ARG B 632 5.020 11.573 -8.992 1.00 0.00 H new ATOM 0 HE ARG B 632 6.468 12.036 -6.617 1.00 0.00 H new ATOM 0 HH11 ARG B 632 4.001 13.657 -8.490 1.00 0.00 H new ATOM 0 HH12 ARG B 632 3.247 14.409 -7.080 1.00 0.00 H new ATOM 0 HH21 ARG B 632 5.499 12.994 -4.811 1.00 0.00 H new ATOM 0 HH22 ARG B 632 4.088 14.037 -5.015 1.00 0.00 H new ATOM 1549 N GLY B 633 9.679 7.534 -8.648 1.00 0.00 N ATOM 1550 CA GLY B 633 9.945 6.196 -8.045 1.00 0.00 C ATOM 1551 C GLY B 633 8.680 5.349 -8.179 1.00 0.00 C ATOM 1552 O GLY B 633 7.748 5.728 -8.861 1.00 0.00 O ATOM 0 H GLY B 633 10.073 7.671 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.781 5.712 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY B 633 10.223 6.301 -6.996 1.00 0.00 H new ATOM 1556 N VAL B 634 8.618 4.214 -7.538 1.00 0.00 N ATOM 1557 CA VAL B 634 7.402 3.363 -7.631 1.00 0.00 C ATOM 1558 C VAL B 634 6.311 3.933 -6.730 1.00 0.00 C ATOM 1559 O VAL B 634 6.597 4.431 -5.659 1.00 0.00 O ATOM 1560 CB VAL B 634 7.760 1.966 -7.117 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.888 1.378 -7.969 1.00 0.00 C ATOM 1562 CG2 VAL B 634 8.217 2.061 -5.659 1.00 0.00 C ATOM 0 H VAL B 634 9.363 3.839 -6.951 1.00 0.00 H new ATOM 0 HA VAL B 634 7.051 3.328 -8.662 1.00 0.00 H new ATOM 0 HB VAL B 634 6.884 1.321 -7.183 1.00 0.00 H new ATOM 0 HG11 VAL B 634 9.141 0.384 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL B 634 8.562 1.309 -9.007 1.00 0.00 H new ATOM 0 HG13 VAL B 634 9.765 2.022 -7.906 1.00 0.00 H new ATOM 0 HG21 VAL B 634 8.472 1.067 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL B 634 9.092 2.708 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL B 634 7.413 2.476 -5.052 1.00 0.00 H new ATOM 1572 N VAL B 635 5.065 3.857 -7.128 1.00 0.00 N ATOM 1573 CA VAL B 635 3.964 4.390 -6.255 1.00 0.00 C ATOM 1574 C VAL B 635 2.811 3.385 -6.210 1.00 0.00 C ATOM 1575 O VAL B 635 2.499 2.728 -7.183 1.00 0.00 O ATOM 1576 CB VAL B 635 3.469 5.734 -6.794 1.00 0.00 C ATOM 1577 CG1 VAL B 635 3.109 5.597 -8.274 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.233 6.178 -6.011 1.00 0.00 C ATOM 0 H VAL B 635 4.760 3.452 -8.013 1.00 0.00 H new ATOM 0 HA VAL B 635 4.348 4.539 -5.246 1.00 0.00 H new ATOM 0 HB VAL B 635 4.259 6.477 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL B 635 2.757 6.556 -8.653 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.990 5.286 -8.835 1.00 0.00 H new ATOM 0 HG13 VAL B 635 2.323 4.851 -8.390 1.00 0.00 H new ATOM 0 HG21 VAL B 635 1.882 7.135 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL B 635 1.446 5.432 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL B 635 2.489 6.283 -4.957 1.00 0.00 H new ATOM 1588 N ILE B 636 2.188 3.263 -5.065 1.00 0.00 N ATOM 1589 CA ILE B 636 1.050 2.302 -4.900 1.00 0.00 C ATOM 1590 C ILE B 636 -0.107 3.003 -4.186 1.00 0.00 C ATOM 1591 O ILE B 636 0.090 3.927 -3.423 1.00 0.00 O ATOM 1592 CB ILE B 636 1.510 1.114 -4.048 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.623 0.360 -4.782 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.329 0.172 -3.801 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.281 -0.635 -3.824 1.00 0.00 C ATOM 0 H ILE B 636 2.421 3.794 -4.226 1.00 0.00 H new ATOM 0 HA ILE B 636 0.724 1.954 -5.880 1.00 0.00 H new ATOM 0 HB ILE B 636 1.887 1.478 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.213 -0.166 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.365 1.063 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE B 636 0.658 -0.672 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.461 0.709 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE B 636 -0.051 -0.193 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.073 -1.172 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE B 636 3.704 -0.098 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.535 -1.345 -3.468 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.316 2.564 -4.421 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.485 3.201 -3.749 1.00 0.00 C ATOM 1609 C ASN B 637 -2.706 2.546 -2.383 1.00 0.00 C ATOM 1610 O ASN B 637 -2.711 1.338 -2.248 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.737 3.029 -4.610 1.00 0.00 C ATOM 1612 CG ASN B 637 -4.916 3.737 -3.939 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -5.506 3.216 -3.014 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -5.287 4.912 -4.370 1.00 0.00 N ATOM 0 H ASN B 637 -1.543 1.793 -5.049 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.288 4.265 -3.616 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.568 3.443 -5.604 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -3.960 1.970 -4.739 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -6.072 5.392 -3.930 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -4.792 5.350 -5.147 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.879 3.350 -1.371 1.00 0.00 N ATOM 1622 CA ALA B 638 -3.092 2.815 0.004 1.00 0.00 C ATOM 1623 C ALA B 638 -4.199 1.744 0.003 1.00 0.00 C ATOM 1624 O ALA B 638 -4.397 1.056 0.981 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.471 3.983 0.942 1.00 0.00 C ATOM 0 H ALA B 638 -2.882 4.368 -1.439 1.00 0.00 H new ATOM 0 HA ALA B 638 -2.174 2.346 0.357 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.629 3.603 1.951 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.665 4.717 0.953 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.386 4.455 0.584 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.927 1.604 -1.070 1.00 0.00 N ATOM 1632 CA GLU B 639 -6.022 0.583 -1.097 1.00 0.00 C ATOM 1633 C GLU B 639 -5.460 -0.814 -1.395 1.00 0.00 C ATOM 1634 O GLU B 639 -6.064 -1.810 -1.040 1.00 0.00 O ATOM 1635 CB GLU B 639 -7.057 0.964 -2.158 1.00 0.00 C ATOM 1636 CG GLU B 639 -8.229 -0.018 -2.108 1.00 0.00 C ATOM 1637 CD GLU B 639 -9.298 0.412 -3.113 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.989 0.457 -4.293 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -10.407 0.687 -2.687 1.00 0.00 O ATOM 0 H GLU B 639 -4.815 2.147 -1.926 1.00 0.00 H new ATOM 0 HA GLU B 639 -6.497 0.560 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -7.413 1.980 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.600 0.950 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.883 -1.026 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.650 -0.047 -1.103 1.00 0.00 H new ATOM 1646 N ASP B 640 -4.305 -0.925 -1.992 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.744 -2.290 -2.240 1.00 0.00 C ATOM 1648 C ASP B 640 -3.014 -2.740 -0.975 1.00 0.00 C ATOM 1649 O ASP B 640 -3.345 -3.752 -0.389 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.785 -2.266 -3.432 1.00 0.00 C ATOM 1651 CG ASP B 640 -3.579 -2.058 -4.722 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -4.779 -1.862 -4.632 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.973 -2.097 -5.781 1.00 0.00 O ATOM 0 H ASP B 640 -3.731 -0.146 -2.315 1.00 0.00 H new ATOM 0 HA ASP B 640 -4.548 -2.988 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -2.055 -1.466 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -2.227 -3.201 -3.483 1.00 0.00 H new ATOM 1658 N VAL B 641 -2.059 -1.984 -0.518 1.00 0.00 N ATOM 1659 CA VAL B 641 -1.358 -2.365 0.741 1.00 0.00 C ATOM 1660 C VAL B 641 -2.414 -2.630 1.826 1.00 0.00 C ATOM 1661 O VAL B 641 -2.455 -3.695 2.410 1.00 0.00 O ATOM 1662 CB VAL B 641 -0.431 -1.221 1.175 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -1.229 0.077 1.343 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.242 -1.589 2.499 1.00 0.00 C ATOM 0 H VAL B 641 -1.733 -1.123 -0.957 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.759 -3.262 0.585 1.00 0.00 H new ATOM 0 HB VAL B 641 0.328 -1.067 0.408 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.558 0.879 1.651 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.699 0.341 0.395 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.998 -0.064 2.102 1.00 0.00 H new ATOM 0 HG21 VAL B 641 0.901 -0.778 2.810 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -0.520 -1.750 3.262 1.00 0.00 H new ATOM 0 HG23 VAL B 641 0.825 -2.501 2.370 1.00 0.00 H new ATOM 1674 N GLN B 642 -3.269 -1.679 2.101 1.00 0.00 N ATOM 1675 CA GLN B 642 -4.314 -1.897 3.148 1.00 0.00 C ATOM 1676 C GLN B 642 -5.005 -3.241 2.906 1.00 0.00 C ATOM 1677 O GLN B 642 -5.341 -3.952 3.833 1.00 0.00 O ATOM 1678 CB GLN B 642 -5.349 -0.771 3.091 1.00 0.00 C ATOM 1679 CG GLN B 642 -4.740 0.512 3.661 1.00 0.00 C ATOM 1680 CD GLN B 642 -4.584 0.374 5.176 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -3.491 0.473 5.698 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -5.638 0.146 5.910 1.00 0.00 N ATOM 0 H GLN B 642 -3.290 -0.765 1.649 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.843 -1.901 4.131 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -5.669 -0.608 2.062 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -6.236 -1.049 3.660 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -3.770 0.702 3.201 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.377 1.365 3.427 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -6.556 0.063 5.473 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -5.544 0.051 6.921 1.00 0.00 H new ATOM 1691 N LEU B 643 -5.189 -3.613 1.669 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.822 -4.930 1.370 1.00 0.00 C ATOM 1693 C LEU B 643 -4.776 -6.030 1.571 1.00 0.00 C ATOM 1694 O LEU B 643 -5.108 -7.175 1.802 1.00 0.00 O ATOM 1695 CB LEU B 643 -6.332 -4.935 -0.079 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.833 -6.333 -0.475 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.907 -6.813 0.515 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.431 -6.263 -1.884 1.00 0.00 C ATOM 0 H LEU B 643 -4.928 -3.062 0.851 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.667 -5.106 2.036 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -7.139 -4.210 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.532 -4.626 -0.752 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.000 -7.035 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.254 -7.804 0.223 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -7.483 -6.857 1.518 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -8.747 -6.118 0.506 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -7.790 -7.250 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.262 -5.557 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -6.667 -5.932 -2.587 1.00 0.00 H new ATOM 1710 N ALA B 644 -3.515 -5.694 1.519 1.00 0.00 N ATOM 1711 CA ALA B 644 -2.459 -6.727 1.744 1.00 0.00 C ATOM 1712 C ALA B 644 -2.148 -6.818 3.243 1.00 0.00 C ATOM 1713 O ALA B 644 -2.075 -7.894 3.803 1.00 0.00 O ATOM 1714 CB ALA B 644 -1.191 -6.348 0.980 1.00 0.00 C ATOM 0 H ALA B 644 -3.170 -4.753 1.331 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.816 -7.692 1.385 1.00 0.00 H new ATOM 0 HB1 ALA B 644 -0.425 -7.105 1.148 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -1.413 -6.287 -0.085 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.829 -5.382 1.332 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.963 -5.705 3.900 1.00 0.00 N ATOM 1721 CA LEU B 645 -1.656 -5.745 5.360 1.00 0.00 C ATOM 1722 C LEU B 645 -2.866 -6.271 6.136 1.00 0.00 C ATOM 1723 O LEU B 645 -2.725 -6.848 7.196 1.00 0.00 O ATOM 1724 CB LEU B 645 -1.315 -4.337 5.861 1.00 0.00 C ATOM 1725 CG LEU B 645 -0.039 -3.819 5.183 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.229 -2.388 5.664 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.159 -4.716 5.541 1.00 0.00 C ATOM 0 H LEU B 645 -2.011 -4.772 3.491 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.805 -6.407 5.519 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -2.144 -3.660 5.654 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -1.179 -4.353 6.942 1.00 0.00 H new ATOM 0 HG LEU B 645 -0.173 -3.833 4.101 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.134 -2.008 5.189 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.615 -1.751 5.399 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.359 -2.386 6.746 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.057 -4.336 5.053 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.305 -4.714 6.621 1.00 0.00 H new ATOM 0 HD23 LEU B 645 0.965 -5.734 5.203 1.00 0.00 H new ATOM 1739 N ASN B 646 -4.053 -6.084 5.628 1.00 0.00 N ATOM 1740 CA ASN B 646 -5.261 -6.586 6.354 1.00 0.00 C ATOM 1741 C ASN B 646 -5.548 -8.024 5.924 1.00 0.00 C ATOM 1742 O ASN B 646 -6.389 -8.694 6.488 1.00 0.00 O ATOM 1743 CB ASN B 646 -6.465 -5.700 6.032 1.00 0.00 C ATOM 1744 CG ASN B 646 -7.667 -6.151 6.864 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -7.940 -5.594 7.908 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -8.401 -7.145 6.444 1.00 0.00 N ATOM 0 H ASN B 646 -4.242 -5.608 4.746 1.00 0.00 H new ATOM 0 HA ASN B 646 -5.077 -6.557 7.428 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -6.231 -4.657 6.247 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.701 -5.761 4.970 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -9.204 -7.454 6.993 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -8.172 -7.613 5.567 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.850 -8.509 4.931 1.00 0.00 N ATOM 1754 CA LYS B 647 -5.072 -9.912 4.463 1.00 0.00 C ATOM 1755 C LYS B 647 -4.021 -10.829 5.095 1.00 0.00 C ATOM 1756 O LYS B 647 -4.094 -12.037 4.985 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.941 -9.962 2.938 1.00 0.00 C ATOM 1758 CG LYS B 647 -5.070 -11.411 2.455 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.375 -11.430 0.955 1.00 0.00 C ATOM 1760 CE LYS B 647 -5.504 -12.877 0.480 1.00 0.00 C ATOM 1761 NZ LYS B 647 -5.727 -12.900 -0.993 1.00 0.00 N ATOM 0 H LYS B 647 -4.133 -7.993 4.421 1.00 0.00 H new ATOM 0 HA LYS B 647 -6.068 -10.244 4.755 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -5.712 -9.345 2.477 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.979 -9.551 2.632 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -4.147 -11.955 2.655 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.864 -11.918 3.004 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -6.298 -10.886 0.754 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -4.581 -10.925 0.405 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -4.602 -13.435 0.730 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -6.333 -13.366 0.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -5.815 -13.885 -1.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -6.600 -12.382 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -4.922 -12.449 -1.473 1.00 0.00 H new ATOM 1775 N HIS B 648 -3.040 -10.259 5.757 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.965 -11.083 6.402 1.00 0.00 C ATOM 1777 C HIS B 648 -2.044 -10.940 7.925 1.00 0.00 C ATOM 1778 O HIS B 648 -1.144 -11.335 8.639 1.00 0.00 O ATOM 1779 CB HIS B 648 -0.598 -10.587 5.925 1.00 0.00 C ATOM 1780 CG HIS B 648 -0.405 -10.962 4.482 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -1.005 -12.079 3.921 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.318 -10.379 3.471 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.636 -12.132 2.629 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.172 -11.119 2.302 1.00 0.00 N ATOM 0 H HIS B 648 -2.937 -9.252 5.879 1.00 0.00 H new ATOM 0 HA HIS B 648 -2.100 -12.129 6.128 1.00 0.00 H new ATOM 0 HB2 HIS B 648 -0.530 -9.506 6.043 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.193 -11.025 6.535 1.00 0.00 H new ATOM 0 HD1 HIS B 648 -1.615 -12.740 4.401 1.00 0.00 H new ATOM 0 HD2 HIS B 648 0.911 -9.481 3.568 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.954 -12.900 1.939 1.00 0.00 H new ATOM 1792 N MET B 649 -3.113 -10.382 8.431 1.00 0.00 N ATOM 1793 CA MET B 649 -3.249 -10.215 9.913 1.00 0.00 C ATOM 1794 C MET B 649 -4.066 -11.378 10.481 1.00 0.00 C ATOM 1795 O MET B 649 -4.991 -11.863 9.859 1.00 0.00 O ATOM 1796 CB MET B 649 -3.963 -8.888 10.212 1.00 0.00 C ATOM 1797 CG MET B 649 -2.968 -7.727 10.113 1.00 0.00 C ATOM 1798 SD MET B 649 -1.979 -7.650 11.627 1.00 0.00 S ATOM 1799 CE MET B 649 -1.477 -5.918 11.484 1.00 0.00 C ATOM 0 H MET B 649 -3.900 -10.034 7.883 1.00 0.00 H new ATOM 0 HA MET B 649 -2.261 -10.207 10.374 1.00 0.00 H new ATOM 0 HB2 MET B 649 -4.781 -8.738 9.507 1.00 0.00 H new ATOM 0 HB3 MET B 649 -4.402 -8.918 11.209 1.00 0.00 H new ATOM 0 HG2 MET B 649 -2.319 -7.863 9.248 1.00 0.00 H new ATOM 0 HG3 MET B 649 -3.502 -6.788 9.966 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.846 -5.651 12.332 1.00 0.00 H new ATOM 0 HE2 MET B 649 -0.920 -5.776 10.558 1.00 0.00 H new ATOM 0 HE3 MET B 649 -2.362 -5.282 11.476 1.00 0.00 H new ATOM 1809 N ASN B 650 -3.731 -11.829 11.658 1.00 0.00 N ATOM 1810 CA ASN B 650 -4.487 -12.960 12.266 1.00 0.00 C ATOM 1811 C ASN B 650 -4.159 -13.047 13.758 1.00 0.00 C ATOM 1812 O ASN B 650 -4.938 -13.644 14.482 1.00 0.00 O ATOM 1813 CB ASN B 650 -4.088 -14.268 11.580 1.00 0.00 C ATOM 1814 CG ASN B 650 -2.565 -14.400 11.577 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -1.867 -13.524 12.048 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -2.016 -15.466 11.062 1.00 0.00 N ATOM 1817 OXT ASN B 650 -3.134 -12.515 14.152 1.00 0.00 O ATOM 0 H ASN B 650 -2.966 -11.463 12.225 1.00 0.00 H new ATOM 0 HA ASN B 650 -5.556 -12.794 12.137 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -4.536 -15.115 12.100 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -4.467 -14.285 10.558 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -1.001 -15.564 11.055 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -2.602 -16.201 10.667 1.00 0.00 H new