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 Set 1.1: A 308 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3!) USER MOD Set 1.2: B 624 MET CE :methyl 180:sc=-0.00435 (180deg=-0.00435) USER MOD Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl 172:sc= -0.698 (180deg=-0.751) USER MOD Single : A 307 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : B 594 SER OG : rot 180:sc= 0 USER MOD Single : B 599 SER OG : rot 8:sc= 0.323 USER MOD Single : B 606 THR OG1 : rot -23:sc= 0.413 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 626 LYS NZ :NH3+ -163:sc= -0.029 (180deg=-0.389) USER MOD Single : B 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.15) USER MOD Single : B 642 GLN : amide:sc= -0.0476! X(o=-0.048!,f=-0.44) USER MOD Single : B 646 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.2) USER MOD Single : B 647 LYS NZ :NH3+ 160:sc= -0.0686 (180deg=-0.631) USER MOD Single : B 648 HIS : no HE2:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : B 649 MET CE :methyl 154:sc= -0.231 (180deg=-1.72!) USER MOD Single : B 650 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 17.424 -3.538 -0.433 1.00 0.00 N ATOM 339 CA GLU A 301 17.197 -4.568 -1.489 1.00 0.00 C ATOM 340 C GLU A 301 15.709 -4.517 -1.811 1.00 0.00 C ATOM 341 O GLU A 301 15.246 -4.919 -2.863 1.00 0.00 O ATOM 342 CB GLU A 301 17.562 -5.954 -0.950 1.00 0.00 C ATOM 343 CG GLU A 301 19.077 -6.049 -0.764 1.00 0.00 C ATOM 344 CD GLU A 301 19.519 -5.067 0.323 1.00 0.00 C ATOM 345 OE1 GLU A 301 19.004 -5.163 1.426 1.00 0.00 O ATOM 346 OE2 GLU A 301 20.363 -4.235 0.035 1.00 0.00 O ATOM 0 HA GLU A 301 17.807 -4.379 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 301 17.057 -6.131 -0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 301 17.221 -6.725 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 301 19.357 -7.065 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 301 19.584 -5.823 -1.702 1.00 0.00 H new ATOM 353 N PHE A 302 14.978 -3.961 -0.883 1.00 0.00 N ATOM 354 CA PHE A 302 13.521 -3.798 -1.053 1.00 0.00 C ATOM 355 C PHE A 302 13.250 -2.690 -2.070 1.00 0.00 C ATOM 356 O PHE A 302 12.714 -2.930 -3.133 1.00 0.00 O ATOM 357 CB PHE A 302 12.901 -3.438 0.307 1.00 0.00 C ATOM 358 CG PHE A 302 11.421 -3.762 0.318 1.00 0.00 C ATOM 359 CD1 PHE A 302 10.529 -2.990 -0.434 1.00 0.00 C ATOM 360 CD2 PHE A 302 10.940 -4.827 1.094 1.00 0.00 C ATOM 361 CE1 PHE A 302 9.160 -3.279 -0.412 1.00 0.00 C ATOM 362 CE2 PHE A 302 9.570 -5.118 1.114 1.00 0.00 C ATOM 363 CZ PHE A 302 8.681 -4.343 0.361 1.00 0.00 C ATOM 0 H PHE A 302 15.345 -3.608 0.001 1.00 0.00 H new ATOM 0 HA PHE A 302 13.077 -4.724 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 302 13.406 -3.989 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.049 -2.378 0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 302 10.897 -2.170 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 302 11.627 -5.423 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 302 8.473 -2.681 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 302 9.200 -5.939 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 302 7.624 -4.566 0.376 1.00 0.00 H new ATOM 373 N CYS A 303 13.616 -1.480 -1.756 1.00 0.00 N ATOM 374 CA CYS A 303 13.376 -0.359 -2.707 1.00 0.00 C ATOM 375 C CYS A 303 14.171 -0.587 -3.997 1.00 0.00 C ATOM 376 O CYS A 303 13.656 -0.449 -5.089 1.00 0.00 O ATOM 377 CB CYS A 303 13.819 0.957 -2.063 1.00 0.00 C ATOM 378 SG CYS A 303 13.221 1.024 -0.356 1.00 0.00 S ATOM 0 H CYS A 303 14.071 -1.218 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 303 12.313 -0.313 -2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.906 1.036 -2.082 1.00 0.00 H new ATOM 0 HB3 CYS A 303 13.428 1.802 -2.630 1.00 0.00 H new ATOM 383 N SER A 304 15.426 -0.920 -3.876 1.00 0.00 N ATOM 384 CA SER A 304 16.271 -1.140 -5.085 1.00 0.00 C ATOM 385 C SER A 304 15.571 -2.074 -6.081 1.00 0.00 C ATOM 386 O SER A 304 15.694 -1.910 -7.284 1.00 0.00 O ATOM 387 CB SER A 304 17.601 -1.765 -4.661 1.00 0.00 C ATOM 388 OG SER A 304 18.437 -1.910 -5.802 1.00 0.00 O ATOM 0 H SER A 304 15.906 -1.050 -2.986 1.00 0.00 H new ATOM 0 HA SER A 304 16.440 -0.179 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.089 -1.138 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.428 -2.736 -4.197 1.00 0.00 H new ATOM 0 HG SER A 304 19.291 -2.309 -5.533 1.00 0.00 H new ATOM 394 N LYS A 305 14.792 -3.019 -5.601 1.00 0.00 N ATOM 395 CA LYS A 305 14.060 -3.932 -6.544 1.00 0.00 C ATOM 396 C LYS A 305 12.615 -3.443 -6.657 1.00 0.00 C ATOM 397 O LYS A 305 11.894 -3.806 -7.577 1.00 0.00 O ATOM 398 CB LYS A 305 14.128 -5.399 -6.050 1.00 0.00 C ATOM 399 CG LYS A 305 14.942 -6.266 -7.023 1.00 0.00 C ATOM 400 CD LYS A 305 16.425 -5.898 -6.925 1.00 0.00 C ATOM 401 CE LYS A 305 17.252 -6.897 -7.735 1.00 0.00 C ATOM 402 NZ LYS A 305 18.699 -6.701 -7.436 1.00 0.00 N ATOM 0 H LYS A 305 14.632 -3.197 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 305 14.527 -3.910 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 305 14.581 -5.433 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 305 13.120 -5.802 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 305 14.803 -7.321 -6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 305 14.587 -6.117 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.586 -4.887 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 305 16.745 -5.905 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 305 16.954 -7.916 -7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 305 17.068 -6.759 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 19.262 -7.380 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 18.978 -5.732 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 18.868 -6.854 -6.421 1.00 0.00 H new ATOM 416 N MET A 306 12.189 -2.572 -5.788 1.00 0.00 N ATOM 417 CA MET A 306 10.814 -2.048 -5.925 1.00 0.00 C ATOM 418 C MET A 306 10.807 -1.081 -7.101 1.00 0.00 C ATOM 419 O MET A 306 9.803 -0.920 -7.765 1.00 0.00 O ATOM 420 CB MET A 306 10.380 -1.319 -4.647 1.00 0.00 C ATOM 421 CG MET A 306 8.852 -1.246 -4.591 1.00 0.00 C ATOM 422 SD MET A 306 8.349 -0.395 -3.078 1.00 0.00 S ATOM 423 CE MET A 306 6.799 -1.286 -2.808 1.00 0.00 C ATOM 0 H MET A 306 12.727 -2.208 -5.002 1.00 0.00 H new ATOM 0 HA MET A 306 10.116 -2.869 -6.092 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.761 -1.842 -3.770 1.00 0.00 H new ATOM 0 HB3 MET A 306 10.803 -0.315 -4.628 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.470 -0.717 -5.464 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.427 -2.250 -4.616 1.00 0.00 H new ATOM 0 HE1 MET A 306 6.387 -1.013 -1.837 1.00 0.00 H new ATOM 0 HE2 MET A 306 6.087 -1.024 -3.591 1.00 0.00 H new ATOM 0 HE3 MET A 306 6.987 -2.359 -2.834 1.00 0.00 H new ATOM 433 N ASN A 307 11.921 -0.431 -7.384 1.00 0.00 N ATOM 434 CA ASN A 307 11.926 0.509 -8.542 1.00 0.00 C ATOM 435 C ASN A 307 12.150 -0.346 -9.787 1.00 0.00 C ATOM 436 O ASN A 307 11.548 -0.142 -10.819 1.00 0.00 O ATOM 437 CB ASN A 307 13.044 1.544 -8.391 1.00 0.00 C ATOM 438 CG ASN A 307 12.825 2.352 -7.111 1.00 0.00 C ATOM 439 OD1 ASN A 307 13.518 2.161 -6.132 1.00 0.00 O ATOM 440 ND2 ASN A 307 11.883 3.256 -7.076 1.00 0.00 N ATOM 0 H ASN A 307 12.800 -0.512 -6.874 1.00 0.00 H new ATOM 0 HA ASN A 307 10.988 1.061 -8.606 1.00 0.00 H new ATOM 0 HB2 ASN A 307 14.013 1.046 -8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.057 2.209 -9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 307 11.730 3.801 -6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 307 11.300 3.417 -7.897 1.00 0.00 H new ATOM 447 N GLN A 308 13.031 -1.328 -9.659 1.00 0.00 N ATOM 448 CA GLN A 308 13.327 -2.261 -10.798 1.00 0.00 C ATOM 449 C GLN A 308 12.037 -2.536 -11.573 1.00 0.00 C ATOM 450 O GLN A 308 12.024 -2.590 -12.786 1.00 0.00 O ATOM 451 CB GLN A 308 13.866 -3.584 -10.241 1.00 0.00 C ATOM 452 CG GLN A 308 14.072 -4.595 -11.381 1.00 0.00 C ATOM 453 CD GLN A 308 12.749 -5.296 -11.710 1.00 0.00 C ATOM 454 OE1 GLN A 308 12.142 -5.907 -10.853 1.00 0.00 O ATOM 455 NE2 GLN A 308 12.276 -5.229 -12.925 1.00 0.00 N ATOM 0 H GLN A 308 13.557 -1.518 -8.806 1.00 0.00 H new ATOM 0 HA GLN A 308 14.067 -1.809 -11.459 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.809 -3.412 -9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.169 -3.989 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 308 14.452 -4.084 -12.266 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.821 -5.332 -11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 308 12.787 -4.716 -13.643 1.00 0.00 H new ATOM 0 HE22 GLN A 308 11.396 -5.690 -13.156 1.00 0.00 H new ATOM 464 N VAL A 309 10.944 -2.692 -10.865 1.00 0.00 N ATOM 465 CA VAL A 309 9.630 -2.942 -11.542 1.00 0.00 C ATOM 466 C VAL A 309 9.481 -1.981 -12.732 1.00 0.00 C ATOM 467 O VAL A 309 8.680 -2.189 -13.620 1.00 0.00 O ATOM 468 CB VAL A 309 8.484 -2.686 -10.549 1.00 0.00 C ATOM 469 CG1 VAL A 309 8.681 -3.537 -9.288 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.452 -1.195 -10.175 1.00 0.00 C ATOM 0 H VAL A 309 10.904 -2.657 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 309 9.593 -3.974 -11.890 1.00 0.00 H new ATOM 0 HB VAL A 309 7.538 -2.962 -11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.865 -3.349 -8.591 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.690 -4.593 -9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 309 9.628 -3.275 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 309 7.640 -1.014 -9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.400 -0.915 -9.715 1.00 0.00 H new ATOM 0 HG23 VAL A 309 8.294 -0.598 -11.073 1.00 0.00 H new ATOM 480 N CYS A 310 10.263 -0.934 -12.748 1.00 0.00 N ATOM 481 CA CYS A 310 10.198 0.054 -13.866 1.00 0.00 C ATOM 482 C CYS A 310 11.231 -0.324 -14.934 1.00 0.00 C ATOM 483 O CYS A 310 11.703 0.513 -15.678 1.00 0.00 O ATOM 484 CB CYS A 310 10.503 1.456 -13.320 1.00 0.00 C ATOM 485 SG CYS A 310 8.980 2.177 -12.656 1.00 0.00 S ATOM 0 H CYS A 310 10.951 -0.719 -12.027 1.00 0.00 H new ATOM 0 HA CYS A 310 9.202 0.048 -14.309 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.263 1.399 -12.541 1.00 0.00 H new ATOM 0 HB3 CYS A 310 10.905 2.089 -14.111 1.00 0.00 H new ATOM 490 N GLY A 311 11.583 -1.578 -15.014 1.00 0.00 N ATOM 491 CA GLY A 311 12.582 -2.006 -16.034 1.00 0.00 C ATOM 492 C GLY A 311 11.947 -1.954 -17.425 1.00 0.00 C ATOM 493 O GLY A 311 10.955 -2.605 -17.686 1.00 0.00 O ATOM 0 H GLY A 311 11.223 -2.324 -14.418 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.456 -1.356 -15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 311 12.927 -3.017 -15.818 1.00 0.00 H new ATOM 928 N GLY B 593 -6.623 7.222 -0.294 1.00 0.00 N ATOM 929 CA GLY B 593 -5.610 6.400 -1.014 1.00 0.00 C ATOM 930 C GLY B 593 -4.479 7.304 -1.504 1.00 0.00 C ATOM 931 O GLY B 593 -4.457 7.723 -2.645 1.00 0.00 O ATOM 0 HA2 GLY B 593 -5.214 5.629 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.073 5.889 -1.858 1.00 0.00 H new ATOM 935 N SER B 594 -3.537 7.612 -0.652 1.00 0.00 N ATOM 936 CA SER B 594 -2.409 8.493 -1.072 1.00 0.00 C ATOM 937 C SER B 594 -1.338 7.670 -1.778 1.00 0.00 C ATOM 938 O SER B 594 -1.315 6.457 -1.715 1.00 0.00 O ATOM 939 CB SER B 594 -1.780 9.171 0.140 1.00 0.00 C ATOM 940 OG SER B 594 -2.708 10.088 0.705 1.00 0.00 O ATOM 0 H SER B 594 -3.500 7.292 0.316 1.00 0.00 H new ATOM 0 HA SER B 594 -2.805 9.250 -1.749 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.494 8.424 0.880 1.00 0.00 H new ATOM 0 HB3 SER B 594 -0.869 9.693 -0.154 1.00 0.00 H new ATOM 0 HG SER B 594 -2.305 10.523 1.485 1.00 0.00 H new ATOM 946 N LEU B 595 -0.446 8.338 -2.446 1.00 0.00 N ATOM 947 CA LEU B 595 0.651 7.645 -3.170 1.00 0.00 C ATOM 948 C LEU B 595 1.855 7.541 -2.242 1.00 0.00 C ATOM 949 O LEU B 595 2.336 8.537 -1.735 1.00 0.00 O ATOM 950 CB LEU B 595 1.019 8.487 -4.392 1.00 0.00 C ATOM 951 CG LEU B 595 0.009 8.238 -5.516 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.414 8.406 -4.981 1.00 0.00 C ATOM 953 CD2 LEU B 595 0.249 9.243 -6.644 1.00 0.00 C ATOM 0 H LEU B 595 -0.430 9.355 -2.523 1.00 0.00 H new ATOM 0 HA LEU B 595 0.343 6.647 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU B 595 1.029 9.544 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU B 595 2.024 8.234 -4.731 1.00 0.00 H new ATOM 0 HG LEU B 595 0.133 7.223 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -2.128 8.228 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -1.587 7.691 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.542 9.419 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -0.468 9.068 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU B 595 0.126 10.256 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU B 595 1.261 9.122 -7.030 1.00 0.00 H new ATOM 965 N LEU B 596 2.348 6.347 -2.004 1.00 0.00 N ATOM 966 CA LEU B 596 3.527 6.176 -1.094 1.00 0.00 C ATOM 967 C LEU B 596 4.626 5.393 -1.829 1.00 0.00 C ATOM 968 O LEU B 596 4.352 4.572 -2.684 1.00 0.00 O ATOM 969 CB LEU B 596 3.081 5.436 0.181 1.00 0.00 C ATOM 970 CG LEU B 596 1.648 5.881 0.597 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.612 4.874 0.084 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.545 5.958 2.128 1.00 0.00 C ATOM 0 H LEU B 596 1.983 5.482 -2.402 1.00 0.00 H new ATOM 0 HA LEU B 596 3.928 7.149 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU B 596 3.098 4.360 0.009 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.781 5.641 0.991 1.00 0.00 H new ATOM 0 HG LEU B 596 1.453 6.862 0.163 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.386 5.196 0.381 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.667 4.818 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.818 3.892 0.509 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.539 6.270 2.410 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.754 4.978 2.556 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.268 6.681 2.505 1.00 0.00 H new ATOM 984 N ARG B 597 5.871 5.674 -1.524 1.00 0.00 N ATOM 985 CA ARG B 597 7.007 4.987 -2.221 1.00 0.00 C ATOM 986 C ARG B 597 7.408 3.698 -1.484 1.00 0.00 C ATOM 987 O ARG B 597 6.587 3.013 -0.907 1.00 0.00 O ATOM 988 CB ARG B 597 8.216 5.942 -2.280 1.00 0.00 C ATOM 989 CG ARG B 597 9.165 5.562 -3.452 1.00 0.00 C ATOM 990 CD ARG B 597 8.998 6.547 -4.616 1.00 0.00 C ATOM 991 NE ARG B 597 9.367 7.917 -4.161 1.00 0.00 N ATOM 992 CZ ARG B 597 9.612 8.852 -5.037 1.00 0.00 C ATOM 993 NH1 ARG B 597 9.545 8.586 -6.312 1.00 0.00 N ATOM 994 NH2 ARG B 597 9.928 10.054 -4.637 1.00 0.00 N ATOM 0 H ARG B 597 6.151 6.354 -0.818 1.00 0.00 H new ATOM 0 HA ARG B 597 6.687 4.721 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG B 597 7.869 6.968 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.762 5.903 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG B 597 10.199 5.568 -3.108 1.00 0.00 H new ATOM 0 HG3 ARG B 597 8.948 4.549 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG B 597 9.628 6.248 -5.453 1.00 0.00 H new ATOM 0 HD3 ARG B 597 7.968 6.535 -4.972 1.00 0.00 H new ATOM 0 HE ARG B 597 9.428 8.124 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG B 597 9.301 7.646 -6.625 1.00 0.00 H new ATOM 0 HH12 ARG B 597 9.737 9.318 -6.996 1.00 0.00 H new ATOM 0 HH21 ARG B 597 9.983 10.262 -3.640 1.00 0.00 H new ATOM 0 HH22 ARG B 597 10.120 10.785 -5.322 1.00 0.00 H new ATOM 1008 N CYS B 598 8.673 3.361 -1.531 1.00 0.00 N ATOM 1009 CA CYS B 598 9.160 2.110 -0.869 1.00 0.00 C ATOM 1010 C CYS B 598 9.337 2.327 0.636 1.00 0.00 C ATOM 1011 O CYS B 598 8.415 2.145 1.406 1.00 0.00 O ATOM 1012 CB CYS B 598 10.502 1.709 -1.491 1.00 0.00 C ATOM 1013 SG CYS B 598 11.292 0.432 -0.480 1.00 0.00 S ATOM 0 H CYS B 598 9.396 3.904 -2.004 1.00 0.00 H new ATOM 0 HA CYS B 598 8.425 1.319 -1.018 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.347 1.339 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS B 598 11.153 2.580 -1.566 1.00 0.00 H new ATOM 1018 N SER B 599 10.519 2.704 1.065 1.00 0.00 N ATOM 1019 CA SER B 599 10.757 2.922 2.527 1.00 0.00 C ATOM 1020 C SER B 599 9.587 3.716 3.108 1.00 0.00 C ATOM 1021 O SER B 599 9.316 3.701 4.300 1.00 0.00 O ATOM 1022 CB SER B 599 12.054 3.707 2.721 1.00 0.00 C ATOM 1023 OG SER B 599 13.093 3.089 1.973 1.00 0.00 O ATOM 0 H SER B 599 11.328 2.870 0.466 1.00 0.00 H new ATOM 0 HA SER B 599 10.839 1.961 3.035 1.00 0.00 H new ATOM 0 HB2 SER B 599 11.920 4.739 2.396 1.00 0.00 H new ATOM 0 HB3 SER B 599 12.320 3.738 3.778 1.00 0.00 H new ATOM 0 HG SER B 599 12.715 2.379 1.413 1.00 0.00 H new ATOM 1029 N GLU B 600 8.879 4.394 2.258 1.00 0.00 N ATOM 1030 CA GLU B 600 7.712 5.181 2.710 1.00 0.00 C ATOM 1031 C GLU B 600 6.840 4.293 3.603 1.00 0.00 C ATOM 1032 O GLU B 600 6.360 4.679 4.659 1.00 0.00 O ATOM 1033 CB GLU B 600 6.907 5.588 1.457 1.00 0.00 C ATOM 1034 CG GLU B 600 6.159 6.912 1.699 1.00 0.00 C ATOM 1035 CD GLU B 600 7.159 8.059 1.871 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.643 8.553 0.866 1.00 0.00 O ATOM 1037 OE2 GLU B 600 7.423 8.424 3.005 1.00 0.00 O ATOM 0 H GLU B 600 9.063 4.436 1.256 1.00 0.00 H new ATOM 0 HA GLU B 600 8.026 6.064 3.266 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.579 5.694 0.605 1.00 0.00 H new ATOM 0 HB3 GLU B 600 6.195 4.802 1.205 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.495 7.121 0.861 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.534 6.828 2.588 1.00 0.00 H new ATOM 1044 N ILE B 601 6.614 3.090 3.140 1.00 0.00 N ATOM 1045 CA ILE B 601 5.752 2.162 3.895 1.00 0.00 C ATOM 1046 C ILE B 601 6.430 1.856 5.232 1.00 0.00 C ATOM 1047 O ILE B 601 5.786 1.656 6.238 1.00 0.00 O ATOM 1048 CB ILE B 601 5.523 0.875 3.042 1.00 0.00 C ATOM 1049 CG1 ILE B 601 4.109 0.891 2.436 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.663 -0.401 3.880 1.00 0.00 C ATOM 1051 CD1 ILE B 601 4.030 1.960 1.346 1.00 0.00 C ATOM 0 H ILE B 601 6.995 2.719 2.269 1.00 0.00 H new ATOM 0 HA ILE B 601 4.775 2.600 4.100 1.00 0.00 H new ATOM 0 HB ILE B 601 6.284 0.872 2.261 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.870 -0.087 2.018 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.372 1.094 3.213 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.496 -1.272 3.247 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.665 -0.449 4.306 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.927 -0.391 4.684 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.028 1.970 0.918 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.250 2.937 1.777 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.756 1.737 0.564 1.00 0.00 H new ATOM 1063 N TRP B 602 7.747 1.814 5.238 1.00 0.00 N ATOM 1064 CA TRP B 602 8.480 1.523 6.506 1.00 0.00 C ATOM 1065 C TRP B 602 7.877 2.394 7.594 1.00 0.00 C ATOM 1066 O TRP B 602 7.629 1.951 8.698 1.00 0.00 O ATOM 1067 CB TRP B 602 9.969 1.849 6.345 1.00 0.00 C ATOM 1068 CG TRP B 602 10.743 1.236 7.468 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.099 1.874 8.606 1.00 0.00 C ATOM 1070 CD2 TRP B 602 11.262 -0.121 7.580 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.803 0.996 9.411 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.930 -0.246 8.821 1.00 0.00 C ATOM 1073 CE3 TRP B 602 11.219 -1.244 6.734 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.533 -1.444 9.210 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.826 -2.450 7.121 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.481 -2.549 8.357 1.00 0.00 C ATOM 0 H TRP B 602 8.338 1.969 4.421 1.00 0.00 H new ATOM 0 HA TRP B 602 8.390 0.467 6.762 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.333 1.470 5.390 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.116 2.929 6.336 1.00 0.00 H new ATOM 0 HD1 TRP B 602 10.871 2.902 8.847 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.181 1.236 10.327 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.716 -1.178 5.781 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 13.036 -1.516 10.163 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.788 -3.306 6.463 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.945 -3.479 8.649 1.00 0.00 H new ATOM 1087 N ASP B 603 7.589 3.623 7.271 1.00 0.00 N ATOM 1088 CA ASP B 603 6.945 4.502 8.277 1.00 0.00 C ATOM 1089 C ASP B 603 5.616 3.851 8.659 1.00 0.00 C ATOM 1090 O ASP B 603 5.243 3.804 9.814 1.00 0.00 O ATOM 1091 CB ASP B 603 6.693 5.884 7.671 1.00 0.00 C ATOM 1092 CG ASP B 603 6.335 6.870 8.784 1.00 0.00 C ATOM 1093 OD1 ASP B 603 6.916 6.766 9.851 1.00 0.00 O ATOM 1094 OD2 ASP B 603 5.485 7.714 8.550 1.00 0.00 O ATOM 0 H ASP B 603 7.770 4.051 6.363 1.00 0.00 H new ATOM 0 HA ASP B 603 7.582 4.624 9.153 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.580 6.227 7.138 1.00 0.00 H new ATOM 0 HB3 ASP B 603 5.884 5.832 6.943 1.00 0.00 H new ATOM 1099 N ARG B 604 4.911 3.321 7.689 1.00 0.00 N ATOM 1100 CA ARG B 604 3.614 2.639 7.996 1.00 0.00 C ATOM 1101 C ARG B 604 3.861 1.533 9.036 1.00 0.00 C ATOM 1102 O ARG B 604 3.149 1.417 10.014 1.00 0.00 O ATOM 1103 CB ARG B 604 3.023 2.025 6.717 1.00 0.00 C ATOM 1104 CG ARG B 604 1.521 1.732 6.912 1.00 0.00 C ATOM 1105 CD ARG B 604 0.687 2.971 6.565 1.00 0.00 C ATOM 1106 NE ARG B 604 -0.731 2.741 6.957 1.00 0.00 N ATOM 1107 CZ ARG B 604 -1.558 3.748 7.039 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -1.140 4.957 6.781 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -2.802 3.546 7.381 1.00 0.00 N ATOM 0 H ARG B 604 5.175 3.331 6.704 1.00 0.00 H new ATOM 0 HA ARG B 604 2.908 3.368 8.393 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.162 2.708 5.879 1.00 0.00 H new ATOM 0 HB3 ARG B 604 3.551 1.104 6.469 1.00 0.00 H new ATOM 0 HG2 ARG B 604 1.222 0.895 6.280 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.332 1.436 7.944 1.00 0.00 H new ATOM 0 HD2 ARG B 604 1.082 3.845 7.083 1.00 0.00 H new ATOM 0 HD3 ARG B 604 0.751 3.178 5.497 1.00 0.00 H new ATOM 0 HE ARG B 604 -1.056 1.796 7.162 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.168 5.115 6.515 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.785 5.744 6.845 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -3.128 2.601 7.584 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -3.448 4.333 7.445 1.00 0.00 H new ATOM 1123 N ILE B 605 4.881 0.737 8.841 1.00 0.00 N ATOM 1124 CA ILE B 605 5.202 -0.346 9.824 1.00 0.00 C ATOM 1125 C ILE B 605 5.542 0.289 11.179 1.00 0.00 C ATOM 1126 O ILE B 605 5.098 -0.168 12.214 1.00 0.00 O ATOM 1127 CB ILE B 605 6.406 -1.169 9.311 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.934 -2.168 8.249 1.00 0.00 C ATOM 1129 CG2 ILE B 605 7.053 -1.960 10.460 1.00 0.00 C ATOM 1130 CD1 ILE B 605 5.417 -1.421 7.025 1.00 0.00 C ATOM 0 H ILE B 605 5.510 0.790 8.039 1.00 0.00 H new ATOM 0 HA ILE B 605 4.343 -1.007 9.939 1.00 0.00 H new ATOM 0 HB ILE B 605 7.134 -0.476 8.889 1.00 0.00 H new ATOM 0 HG12 ILE B 605 6.756 -2.825 7.964 1.00 0.00 H new ATOM 0 HG13 ILE B 605 5.147 -2.802 8.658 1.00 0.00 H new ATOM 0 HG21 ILE B 605 7.898 -2.532 10.077 1.00 0.00 H new ATOM 0 HG22 ILE B 605 7.401 -1.268 11.227 1.00 0.00 H new ATOM 0 HG23 ILE B 605 6.319 -2.641 10.891 1.00 0.00 H new ATOM 0 HD11 ILE B 605 5.084 -2.138 6.275 1.00 0.00 H new ATOM 0 HD12 ILE B 605 4.582 -0.783 7.314 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.216 -0.807 6.610 1.00 0.00 H new ATOM 1142 N THR B 606 6.337 1.321 11.190 1.00 0.00 N ATOM 1143 CA THR B 606 6.707 1.952 12.489 1.00 0.00 C ATOM 1144 C THR B 606 5.456 2.497 13.188 1.00 0.00 C ATOM 1145 O THR B 606 5.196 2.186 14.333 1.00 0.00 O ATOM 1146 CB THR B 606 7.692 3.097 12.240 1.00 0.00 C ATOM 1147 OG1 THR B 606 7.090 4.061 11.389 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.959 2.549 11.583 1.00 0.00 C ATOM 0 H THR B 606 6.745 1.754 10.362 1.00 0.00 H new ATOM 0 HA THR B 606 7.172 1.201 13.128 1.00 0.00 H new ATOM 0 HB THR B 606 7.953 3.565 13.189 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.369 3.640 10.876 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.659 3.365 11.406 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.420 1.811 12.240 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.702 2.079 10.634 1.00 0.00 H new ATOM 1267 N ILE B 614 3.398 -10.901 11.867 1.00 0.00 N ATOM 1268 CA ILE B 614 3.285 -10.494 10.435 1.00 0.00 C ATOM 1269 C ILE B 614 4.357 -11.188 9.582 1.00 0.00 C ATOM 1270 O ILE B 614 5.275 -11.802 10.087 1.00 0.00 O ATOM 1271 CB ILE B 614 3.458 -8.974 10.333 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.389 -8.287 11.190 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.314 -8.524 8.872 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.730 -6.802 11.339 1.00 0.00 C ATOM 0 HA ILE B 614 2.304 -10.789 10.062 1.00 0.00 H new ATOM 0 HB ILE B 614 4.450 -8.699 10.691 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.409 -8.401 10.728 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.336 -8.759 12.171 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.439 -7.443 8.810 1.00 0.00 H new ATOM 0 HG22 ILE B 614 4.076 -9.012 8.264 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.325 -8.797 8.503 1.00 0.00 H new ATOM 0 HD11 ILE B 614 1.970 -6.313 11.948 1.00 0.00 H new ATOM 0 HD12 ILE B 614 3.703 -6.699 11.820 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.761 -6.335 10.354 1.00 0.00 H new ATOM 1286 N ASP B 615 4.238 -11.079 8.282 1.00 0.00 N ATOM 1287 CA ASP B 615 5.230 -11.700 7.355 1.00 0.00 C ATOM 1288 C ASP B 615 5.723 -10.615 6.399 1.00 0.00 C ATOM 1289 O ASP B 615 4.964 -10.073 5.626 1.00 0.00 O ATOM 1290 CB ASP B 615 4.558 -12.819 6.556 1.00 0.00 C ATOM 1291 CG ASP B 615 5.599 -13.512 5.675 1.00 0.00 C ATOM 1292 OD1 ASP B 615 6.770 -13.448 6.014 1.00 0.00 O ATOM 1293 OD2 ASP B 615 5.210 -14.094 4.677 1.00 0.00 O ATOM 0 H ASP B 615 3.481 -10.577 7.818 1.00 0.00 H new ATOM 0 HA ASP B 615 6.063 -12.121 7.917 1.00 0.00 H new ATOM 0 HB2 ASP B 615 4.101 -13.540 7.233 1.00 0.00 H new ATOM 0 HB3 ASP B 615 3.758 -12.410 5.939 1.00 0.00 H new ATOM 1298 N VAL B 616 6.984 -10.297 6.450 1.00 0.00 N ATOM 1299 CA VAL B 616 7.523 -9.241 5.544 1.00 0.00 C ATOM 1300 C VAL B 616 7.763 -9.835 4.156 1.00 0.00 C ATOM 1301 O VAL B 616 7.924 -9.124 3.181 1.00 0.00 O ATOM 1302 CB VAL B 616 8.840 -8.702 6.107 1.00 0.00 C ATOM 1303 CG1 VAL B 616 8.561 -7.895 7.378 1.00 0.00 C ATOM 1304 CG2 VAL B 616 9.770 -9.872 6.438 1.00 0.00 C ATOM 0 H VAL B 616 7.667 -10.721 7.078 1.00 0.00 H new ATOM 0 HA VAL B 616 6.804 -8.425 5.470 1.00 0.00 H new ATOM 0 HB VAL B 616 9.315 -8.059 5.366 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.499 -7.511 7.779 1.00 0.00 H new ATOM 0 HG12 VAL B 616 7.899 -7.062 7.142 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.085 -8.537 8.120 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.708 -9.489 6.839 1.00 0.00 H new ATOM 0 HG22 VAL B 616 9.295 -10.516 7.178 1.00 0.00 H new ATOM 0 HG23 VAL B 616 9.970 -10.445 5.533 1.00 0.00 H new ATOM 1314 N ASP B 617 7.789 -11.133 4.058 1.00 0.00 N ATOM 1315 CA ASP B 617 8.027 -11.777 2.735 1.00 0.00 C ATOM 1316 C ASP B 617 6.811 -11.569 1.830 1.00 0.00 C ATOM 1317 O ASP B 617 6.940 -11.324 0.648 1.00 0.00 O ATOM 1318 CB ASP B 617 8.262 -13.276 2.934 1.00 0.00 C ATOM 1319 CG ASP B 617 9.467 -13.486 3.853 1.00 0.00 C ATOM 1320 OD1 ASP B 617 10.342 -12.636 3.854 1.00 0.00 O ATOM 1321 OD2 ASP B 617 9.492 -14.492 4.543 1.00 0.00 O ATOM 0 H ASP B 617 7.656 -11.778 4.837 1.00 0.00 H new ATOM 0 HA ASP B 617 8.903 -11.327 2.269 1.00 0.00 H new ATOM 0 HB2 ASP B 617 7.376 -13.740 3.367 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.436 -13.758 1.972 1.00 0.00 H new ATOM 1326 N GLY B 618 5.630 -11.675 2.373 1.00 0.00 N ATOM 1327 CA GLY B 618 4.410 -11.492 1.538 1.00 0.00 C ATOM 1328 C GLY B 618 4.296 -10.034 1.088 1.00 0.00 C ATOM 1329 O GLY B 618 3.951 -9.754 -0.041 1.00 0.00 O ATOM 0 H GLY B 618 5.457 -11.880 3.357 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.454 -12.147 0.668 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.524 -11.776 2.107 1.00 0.00 H new ATOM 1333 N LEU B 619 4.582 -9.101 1.956 1.00 0.00 N ATOM 1334 CA LEU B 619 4.479 -7.671 1.548 1.00 0.00 C ATOM 1335 C LEU B 619 5.425 -7.424 0.373 1.00 0.00 C ATOM 1336 O LEU B 619 5.202 -6.561 -0.448 1.00 0.00 O ATOM 1337 CB LEU B 619 4.866 -6.742 2.712 1.00 0.00 C ATOM 1338 CG LEU B 619 4.326 -7.292 4.030 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.694 -6.337 5.168 1.00 0.00 C ATOM 1340 CD2 LEU B 619 2.804 -7.423 3.943 1.00 0.00 C ATOM 0 H LEU B 619 4.879 -9.264 2.918 1.00 0.00 H new ATOM 0 HA LEU B 619 3.449 -7.458 1.261 1.00 0.00 H new ATOM 0 HB2 LEU B 619 5.951 -6.648 2.766 1.00 0.00 H new ATOM 0 HB3 LEU B 619 4.468 -5.743 2.537 1.00 0.00 H new ATOM 0 HG LEU B 619 4.763 -8.272 4.223 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.309 -6.728 6.110 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.778 -6.245 5.229 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.257 -5.357 4.976 1.00 0.00 H new ATOM 0 HD21 LEU B 619 2.418 -7.816 4.884 1.00 0.00 H new ATOM 0 HD22 LEU B 619 2.365 -6.444 3.751 1.00 0.00 H new ATOM 0 HD23 LEU B 619 2.543 -8.103 3.132 1.00 0.00 H new ATOM 1352 N CYS B 620 6.493 -8.170 0.302 1.00 0.00 N ATOM 1353 CA CYS B 620 7.470 -7.970 -0.801 1.00 0.00 C ATOM 1354 C CYS B 620 6.860 -8.367 -2.149 1.00 0.00 C ATOM 1355 O CYS B 620 6.896 -7.609 -3.087 1.00 0.00 O ATOM 1356 CB CYS B 620 8.717 -8.813 -0.536 1.00 0.00 C ATOM 1357 SG CYS B 620 9.863 -8.650 -1.927 1.00 0.00 S ATOM 0 H CYS B 620 6.730 -8.910 0.962 1.00 0.00 H new ATOM 0 HA CYS B 620 7.737 -6.914 -0.840 1.00 0.00 H new ATOM 0 HB2 CYS B 620 9.199 -8.488 0.386 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.440 -9.858 -0.400 1.00 0.00 H new ATOM 0 HG CYS B 620 10.925 -9.365 -1.701 1.00 0.00 H new ATOM 1363 N SER B 621 6.300 -9.541 -2.268 1.00 0.00 N ATOM 1364 CA SER B 621 5.707 -9.940 -3.587 1.00 0.00 C ATOM 1365 C SER B 621 4.313 -9.326 -3.736 1.00 0.00 C ATOM 1366 O SER B 621 3.671 -9.467 -4.759 1.00 0.00 O ATOM 1367 CB SER B 621 5.633 -11.463 -3.696 1.00 0.00 C ATOM 1368 OG SER B 621 4.773 -11.964 -2.681 1.00 0.00 O ATOM 0 H SER B 621 6.225 -10.235 -1.524 1.00 0.00 H new ATOM 0 HA SER B 621 6.344 -9.568 -4.390 1.00 0.00 H new ATOM 0 HB2 SER B 621 5.261 -11.751 -4.679 1.00 0.00 H new ATOM 0 HB3 SER B 621 6.628 -11.896 -3.592 1.00 0.00 H new ATOM 0 HG SER B 621 4.721 -12.940 -2.748 1.00 0.00 H new ATOM 1374 N GLU B 622 3.853 -8.624 -2.741 1.00 0.00 N ATOM 1375 CA GLU B 622 2.515 -7.966 -2.828 1.00 0.00 C ATOM 1376 C GLU B 622 2.699 -6.476 -3.157 1.00 0.00 C ATOM 1377 O GLU B 622 2.034 -5.946 -4.022 1.00 0.00 O ATOM 1378 CB GLU B 622 1.780 -8.118 -1.488 1.00 0.00 C ATOM 1379 CG GLU B 622 0.271 -7.927 -1.693 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.299 -9.122 -2.460 1.00 0.00 C ATOM 1381 OE1 GLU B 622 -0.544 -10.140 -1.834 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -0.482 -8.999 -3.661 1.00 0.00 O ATOM 0 H GLU B 622 4.349 -8.475 -1.862 1.00 0.00 H new ATOM 0 HA GLU B 622 1.926 -8.438 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU B 622 1.976 -9.104 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU B 622 2.154 -7.385 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU B 622 -0.228 -7.830 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU B 622 0.083 -7.005 -2.244 1.00 0.00 H new ATOM 1389 N LEU B 623 3.583 -5.789 -2.484 1.00 0.00 N ATOM 1390 CA LEU B 623 3.776 -4.335 -2.784 1.00 0.00 C ATOM 1391 C LEU B 623 4.785 -4.158 -3.938 1.00 0.00 C ATOM 1392 O LEU B 623 4.864 -3.105 -4.538 1.00 0.00 O ATOM 1393 CB LEU B 623 4.297 -3.614 -1.517 1.00 0.00 C ATOM 1394 CG LEU B 623 3.113 -3.141 -0.635 1.00 0.00 C ATOM 1395 CD1 LEU B 623 3.553 -3.024 0.832 1.00 0.00 C ATOM 1396 CD2 LEU B 623 2.626 -1.765 -1.110 1.00 0.00 C ATOM 0 H LEU B 623 4.177 -6.165 -1.745 1.00 0.00 H new ATOM 0 HA LEU B 623 2.822 -3.902 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.937 -4.287 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.909 -2.759 -1.804 1.00 0.00 H new ATOM 0 HG LEU B 623 2.310 -3.873 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU B 623 2.711 -2.691 1.439 1.00 0.00 H new ATOM 0 HD12 LEU B 623 3.895 -3.996 1.188 1.00 0.00 H new ATOM 0 HD13 LEU B 623 4.366 -2.302 0.912 1.00 0.00 H new ATOM 0 HD21 LEU B 623 1.794 -1.438 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU B 623 3.441 -1.045 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU B 623 2.297 -1.833 -2.147 1.00 0.00 H new ATOM 1408 N MET B 624 5.578 -5.158 -4.233 1.00 0.00 N ATOM 1409 CA MET B 624 6.596 -5.004 -5.322 1.00 0.00 C ATOM 1410 C MET B 624 5.958 -5.101 -6.715 1.00 0.00 C ATOM 1411 O MET B 624 6.476 -4.552 -7.664 1.00 0.00 O ATOM 1412 CB MET B 624 7.667 -6.093 -5.184 1.00 0.00 C ATOM 1413 CG MET B 624 8.759 -5.902 -6.243 1.00 0.00 C ATOM 1414 SD MET B 624 8.228 -6.648 -7.804 1.00 0.00 S ATOM 1415 CE MET B 624 9.880 -6.945 -8.485 1.00 0.00 C ATOM 0 H MET B 624 5.567 -6.068 -3.772 1.00 0.00 H new ATOM 0 HA MET B 624 7.043 -4.015 -5.220 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.107 -6.056 -4.187 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.211 -7.077 -5.295 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.960 -4.840 -6.385 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.689 -6.360 -5.907 1.00 0.00 H new ATOM 0 HE1 MET B 624 9.791 -7.410 -9.467 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.410 -5.997 -8.580 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.435 -7.606 -7.819 1.00 0.00 H new ATOM 1425 N ALA B 625 4.846 -5.788 -6.861 1.00 0.00 N ATOM 1426 CA ALA B 625 4.201 -5.902 -8.218 1.00 0.00 C ATOM 1427 C ALA B 625 2.959 -5.013 -8.282 1.00 0.00 C ATOM 1428 O ALA B 625 2.643 -4.480 -9.328 1.00 0.00 O ATOM 1429 CB ALA B 625 3.835 -7.356 -8.517 1.00 0.00 C ATOM 0 H ALA B 625 4.358 -6.272 -6.107 1.00 0.00 H new ATOM 0 HA ALA B 625 4.912 -5.567 -8.974 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.370 -7.419 -9.501 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.736 -7.969 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.137 -7.718 -7.762 1.00 0.00 H new ATOM 1435 N LYS B 626 2.274 -4.784 -7.200 1.00 0.00 N ATOM 1436 CA LYS B 626 1.109 -3.860 -7.290 1.00 0.00 C ATOM 1437 C LYS B 626 1.681 -2.495 -7.706 1.00 0.00 C ATOM 1438 O LYS B 626 0.970 -1.557 -8.006 1.00 0.00 O ATOM 1439 CB LYS B 626 0.404 -3.766 -5.916 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.864 -4.635 -5.905 1.00 0.00 C ATOM 1441 CD LYS B 626 -0.489 -6.111 -6.057 1.00 0.00 C ATOM 1442 CE LYS B 626 -1.760 -6.952 -6.165 1.00 0.00 C ATOM 1443 NZ LYS B 626 -2.535 -6.846 -4.897 1.00 0.00 N ATOM 0 H LYS B 626 2.461 -5.183 -6.280 1.00 0.00 H new ATOM 0 HA LYS B 626 0.368 -4.208 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.083 -4.092 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.144 -2.729 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -1.410 -4.484 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -1.528 -4.335 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS B 626 0.128 -6.251 -6.944 1.00 0.00 H new ATOM 0 HD3 LYS B 626 0.103 -6.436 -5.202 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -2.366 -6.609 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -1.504 -7.993 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -3.229 -7.619 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -1.886 -6.913 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -3.031 -5.932 -4.869 1.00 0.00 H new ATOM 1457 N ALA B 627 2.985 -2.414 -7.711 1.00 0.00 N ATOM 1458 CA ALA B 627 3.704 -1.163 -8.082 1.00 0.00 C ATOM 1459 C ALA B 627 3.131 -0.529 -9.356 1.00 0.00 C ATOM 1460 O ALA B 627 2.752 -1.206 -10.290 1.00 0.00 O ATOM 1461 CB ALA B 627 5.175 -1.512 -8.320 1.00 0.00 C ATOM 0 H ALA B 627 3.600 -3.190 -7.465 1.00 0.00 H new ATOM 0 HA ALA B 627 3.588 -0.443 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.723 -0.610 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.601 -1.933 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.250 -2.241 -9.127 1.00 0.00 H new ATOM 1467 N LYS B 628 3.101 0.783 -9.395 1.00 0.00 N ATOM 1468 CA LYS B 628 2.598 1.520 -10.595 1.00 0.00 C ATOM 1469 C LYS B 628 3.754 2.364 -11.145 1.00 0.00 C ATOM 1470 O LYS B 628 4.036 3.443 -10.660 1.00 0.00 O ATOM 1471 CB LYS B 628 1.443 2.441 -10.190 1.00 0.00 C ATOM 1472 CG LYS B 628 0.431 1.661 -9.345 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.167 0.520 -10.174 1.00 0.00 C ATOM 1474 CE LYS B 628 -1.449 0.016 -9.507 1.00 0.00 C ATOM 1475 NZ LYS B 628 -2.079 -1.026 -10.365 1.00 0.00 N ATOM 0 H LYS B 628 3.410 1.383 -8.630 1.00 0.00 H new ATOM 0 HA LYS B 628 2.240 0.819 -11.349 1.00 0.00 H new ATOM 0 HB2 LYS B 628 1.825 3.291 -9.625 1.00 0.00 H new ATOM 0 HB3 LYS B 628 0.956 2.842 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.918 1.260 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS B 628 -0.361 2.327 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.383 0.866 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.553 -0.294 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -1.222 -0.396 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -2.142 0.844 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -2.950 -1.369 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -2.309 -0.618 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -1.418 -1.819 -10.489 1.00 0.00 H new ATOM 1489 N CYS B 629 4.449 1.852 -12.125 1.00 0.00 N ATOM 1490 CA CYS B 629 5.620 2.587 -12.692 1.00 0.00 C ATOM 1491 C CYS B 629 5.231 3.987 -13.184 1.00 0.00 C ATOM 1492 O CYS B 629 4.415 4.162 -14.067 1.00 0.00 O ATOM 1493 CB CYS B 629 6.224 1.787 -13.846 1.00 0.00 C ATOM 1494 SG CYS B 629 7.832 2.492 -14.289 1.00 0.00 S ATOM 0 H CYS B 629 4.256 0.950 -12.561 1.00 0.00 H new ATOM 0 HA CYS B 629 6.355 2.704 -11.895 1.00 0.00 H new ATOM 0 HB2 CYS B 629 6.340 0.742 -13.558 1.00 0.00 H new ATOM 0 HB3 CYS B 629 5.556 1.808 -14.707 1.00 0.00 H new ATOM 1499 N SER B 630 5.864 4.975 -12.608 1.00 0.00 N ATOM 1500 CA SER B 630 5.629 6.400 -12.993 1.00 0.00 C ATOM 1501 C SER B 630 6.971 7.132 -12.920 1.00 0.00 C ATOM 1502 O SER B 630 7.880 6.684 -12.248 1.00 0.00 O ATOM 1503 CB SER B 630 4.640 7.041 -12.019 1.00 0.00 C ATOM 1504 OG SER B 630 4.412 8.392 -12.402 1.00 0.00 O ATOM 0 H SER B 630 6.553 4.850 -11.866 1.00 0.00 H new ATOM 0 HA SER B 630 5.215 6.460 -14.000 1.00 0.00 H new ATOM 0 HB2 SER B 630 3.701 6.487 -12.019 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.034 7.000 -11.003 1.00 0.00 H new ATOM 0 HG SER B 630 3.777 8.805 -11.781 1.00 0.00 H new ATOM 1510 N GLU B 631 7.131 8.247 -13.587 1.00 0.00 N ATOM 1511 CA GLU B 631 8.442 8.950 -13.505 1.00 0.00 C ATOM 1512 C GLU B 631 8.667 9.410 -12.065 1.00 0.00 C ATOM 1513 O GLU B 631 9.788 9.580 -11.628 1.00 0.00 O ATOM 1514 CB GLU B 631 8.459 10.148 -14.458 1.00 0.00 C ATOM 1515 CG GLU B 631 8.331 9.656 -15.901 1.00 0.00 C ATOM 1516 CD GLU B 631 6.931 9.080 -16.124 1.00 0.00 C ATOM 1517 OE1 GLU B 631 6.022 9.859 -16.358 1.00 0.00 O ATOM 1518 OE2 GLU B 631 6.792 7.870 -16.058 1.00 0.00 O ATOM 0 H GLU B 631 6.425 8.692 -14.173 1.00 0.00 H new ATOM 0 HA GLU B 631 9.243 8.271 -13.799 1.00 0.00 H new ATOM 0 HB2 GLU B 631 7.640 10.827 -14.220 1.00 0.00 H new ATOM 0 HB3 GLU B 631 9.385 10.710 -14.335 1.00 0.00 H new ATOM 0 HG2 GLU B 631 8.512 10.478 -16.594 1.00 0.00 H new ATOM 0 HG3 GLU B 631 9.085 8.896 -16.105 1.00 0.00 H new ATOM 1525 N ARG B 632 7.617 9.569 -11.308 1.00 0.00 N ATOM 1526 CA ARG B 632 7.784 9.965 -9.882 1.00 0.00 C ATOM 1527 C ARG B 632 8.197 8.709 -9.106 1.00 0.00 C ATOM 1528 O ARG B 632 7.802 8.492 -7.978 1.00 0.00 O ATOM 1529 CB ARG B 632 6.457 10.509 -9.337 1.00 0.00 C ATOM 1530 CG ARG B 632 6.716 11.318 -8.058 1.00 0.00 C ATOM 1531 CD ARG B 632 5.390 11.886 -7.499 1.00 0.00 C ATOM 1532 NE ARG B 632 5.566 13.327 -7.121 1.00 0.00 N ATOM 1533 CZ ARG B 632 6.599 13.728 -6.425 1.00 0.00 C ATOM 1534 NH1 ARG B 632 7.451 12.862 -5.950 1.00 0.00 N ATOM 1535 NH2 ARG B 632 6.759 14.998 -6.176 1.00 0.00 N ATOM 0 H ARG B 632 6.652 9.442 -11.614 1.00 0.00 H new ATOM 0 HA ARG B 632 8.539 10.744 -9.780 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.976 11.138 -10.086 1.00 0.00 H new ATOM 0 HB3 ARG B 632 5.774 9.686 -9.126 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.191 10.684 -7.309 1.00 0.00 H new ATOM 0 HG3 ARG B 632 7.407 12.134 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG B 632 4.601 11.791 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG B 632 5.076 11.309 -6.629 1.00 0.00 H new ATOM 0 HE ARG B 632 4.866 14.009 -7.413 1.00 0.00 H new ATOM 0 HH11 ARG B 632 7.314 11.866 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG B 632 8.254 13.181 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG B 632 6.080 15.675 -6.523 1.00 0.00 H new ATOM 0 HH22 ARG B 632 7.563 15.314 -5.634 1.00 0.00 H new ATOM 1549 N GLY B 633 8.964 7.865 -9.745 1.00 0.00 N ATOM 1550 CA GLY B 633 9.389 6.591 -9.099 1.00 0.00 C ATOM 1551 C GLY B 633 8.148 5.715 -8.969 1.00 0.00 C ATOM 1552 O GLY B 633 7.116 6.028 -9.529 1.00 0.00 O ATOM 0 H GLY B 633 9.316 8.006 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.151 6.092 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.828 6.784 -8.120 1.00 0.00 H new ATOM 1556 N VAL B 634 8.200 4.633 -8.249 1.00 0.00 N ATOM 1557 CA VAL B 634 6.989 3.783 -8.117 1.00 0.00 C ATOM 1558 C VAL B 634 6.019 4.423 -7.126 1.00 0.00 C ATOM 1559 O VAL B 634 6.425 4.968 -6.119 1.00 0.00 O ATOM 1560 CB VAL B 634 7.409 2.410 -7.580 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.143 2.576 -6.246 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.169 1.540 -7.363 1.00 0.00 C ATOM 0 H VAL B 634 9.025 4.302 -7.748 1.00 0.00 H new ATOM 0 HA VAL B 634 6.505 3.681 -9.088 1.00 0.00 H new ATOM 0 HB VAL B 634 8.070 1.934 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.439 1.597 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.030 3.192 -6.393 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.483 3.058 -5.525 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.471 0.565 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.508 2.022 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL B 634 5.644 1.412 -8.310 1.00 0.00 H new ATOM 1572 N VAL B 635 4.738 4.343 -7.385 1.00 0.00 N ATOM 1573 CA VAL B 635 3.736 4.926 -6.436 1.00 0.00 C ATOM 1574 C VAL B 635 2.582 3.934 -6.283 1.00 0.00 C ATOM 1575 O VAL B 635 2.144 3.326 -7.239 1.00 0.00 O ATOM 1576 CB VAL B 635 3.211 6.257 -6.975 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.327 7.303 -6.934 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.742 6.070 -8.420 1.00 0.00 C ATOM 0 H VAL B 635 4.341 3.899 -8.213 1.00 0.00 H new ATOM 0 HA VAL B 635 4.204 5.109 -5.469 1.00 0.00 H new ATOM 0 HB VAL B 635 2.376 6.594 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.951 8.251 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.663 7.436 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.163 6.968 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.367 7.018 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.578 5.733 -9.033 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.946 5.326 -8.451 1.00 0.00 H new ATOM 1588 N ILE B 636 2.100 3.754 -5.078 1.00 0.00 N ATOM 1589 CA ILE B 636 0.982 2.786 -4.836 1.00 0.00 C ATOM 1590 C ILE B 636 -0.057 3.427 -3.914 1.00 0.00 C ATOM 1591 O ILE B 636 0.243 4.327 -3.158 1.00 0.00 O ATOM 1592 CB ILE B 636 1.541 1.526 -4.172 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.501 0.828 -5.144 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.388 0.582 -3.823 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.229 -0.323 -4.438 1.00 0.00 C ATOM 0 H ILE B 636 2.434 4.239 -4.245 1.00 0.00 H new ATOM 0 HA ILE B 636 0.513 2.524 -5.785 1.00 0.00 H new ATOM 0 HB ILE B 636 2.076 1.795 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE B 636 1.947 0.446 -6.001 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.226 1.545 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE B 636 0.784 -0.317 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.297 1.082 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE B 636 -0.146 0.308 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE B 636 3.907 -0.809 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE B 636 3.799 0.069 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.499 -1.048 -4.077 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.283 2.982 -3.982 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.349 3.575 -3.118 1.00 0.00 C ATOM 1609 C ASN B 637 -2.411 2.843 -1.772 1.00 0.00 C ATOM 1610 O ASN B 637 -2.314 1.635 -1.696 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.700 3.456 -3.826 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.611 4.100 -5.211 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -4.136 5.173 -5.430 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -2.962 3.485 -6.162 1.00 0.00 N ATOM 0 H ASN B 637 -1.594 2.232 -4.599 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.117 4.625 -2.938 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.982 2.407 -3.919 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.476 3.944 -3.236 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -2.896 3.906 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -2.521 2.584 -5.978 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.582 3.587 -0.710 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.668 2.978 0.652 1.00 0.00 C ATOM 1623 C ALA B 638 -3.667 1.816 0.669 1.00 0.00 C ATOM 1624 O ALA B 638 -3.740 1.072 1.627 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.109 4.039 1.661 1.00 0.00 C ATOM 0 H ALA B 638 -2.667 4.603 -0.729 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.683 2.595 0.920 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.171 3.593 2.654 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.384 4.853 1.673 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.086 4.428 1.376 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.425 1.639 -0.373 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.398 0.511 -0.399 1.00 0.00 C ATOM 1633 C GLU B 639 -4.662 -0.806 -0.664 1.00 0.00 C ATOM 1634 O GLU B 639 -5.169 -1.869 -0.361 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.451 0.759 -1.483 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.450 -0.406 -1.520 1.00 0.00 C ATOM 1637 CD GLU B 639 -6.872 -1.569 -2.332 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -6.427 -1.327 -3.443 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -6.881 -2.680 -1.828 1.00 0.00 O ATOM 0 H GLU B 639 -4.415 2.225 -1.208 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.897 0.445 0.568 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.976 1.693 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -5.967 0.865 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.673 -0.736 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.390 -0.075 -1.962 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.459 -0.770 -1.175 1.00 0.00 N ATOM 1647 CA ASP B 640 -2.716 -2.052 -1.390 1.00 0.00 C ATOM 1648 C ASP B 640 -1.970 -2.409 -0.099 1.00 0.00 C ATOM 1649 O ASP B 640 -2.160 -3.475 0.451 1.00 0.00 O ATOM 1650 CB ASP B 640 -1.734 -1.916 -2.553 1.00 0.00 C ATOM 1651 CG ASP B 640 -2.463 -1.361 -3.778 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -3.407 -0.609 -3.592 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.067 -1.698 -4.881 1.00 0.00 O ATOM 0 H ASP B 640 -2.963 0.078 -1.450 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.421 -2.845 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -0.914 -1.254 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.295 -2.886 -2.787 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.143 -1.537 0.408 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.431 -1.864 1.679 1.00 0.00 C ATOM 1660 C VAL B 641 -1.482 -2.254 2.734 1.00 0.00 C ATOM 1661 O VAL B 641 -1.399 -3.301 3.345 1.00 0.00 O ATOM 1662 CB VAL B 641 0.407 -0.648 2.142 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.305 0.648 1.789 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.647 -0.695 3.657 1.00 0.00 C ATOM 0 H VAL B 641 -0.930 -0.624 0.006 1.00 0.00 H new ATOM 0 HA VAL B 641 0.255 -2.698 1.531 1.00 0.00 H new ATOM 0 HB VAL B 641 1.368 -0.689 1.629 1.00 0.00 H new ATOM 0 HG11 VAL B 641 0.296 1.495 2.120 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -0.446 0.703 0.710 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.276 0.676 2.284 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.238 0.170 3.959 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -0.310 -0.680 4.178 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.184 -1.609 3.912 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.469 -1.424 2.948 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.518 -1.754 3.956 1.00 0.00 C ATOM 1676 C GLN B 642 -4.130 -3.115 3.618 1.00 0.00 C ATOM 1677 O GLN B 642 -4.484 -3.882 4.492 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.606 -0.678 3.935 1.00 0.00 C ATOM 1679 CG GLN B 642 -4.039 0.633 4.486 1.00 0.00 C ATOM 1680 CD GLN B 642 -5.098 1.732 4.381 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -5.554 2.250 5.381 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -5.513 2.112 3.203 1.00 0.00 N ATOM 0 H GLN B 642 -2.594 -0.532 2.468 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.073 -1.792 4.950 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.967 -0.531 2.917 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.460 -0.997 4.533 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -3.737 0.503 5.525 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -3.147 0.918 3.928 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -5.131 1.678 2.363 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -6.220 2.843 3.123 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.238 -3.429 2.357 1.00 0.00 N ATOM 1692 CA LEU B 643 -4.804 -4.749 1.957 1.00 0.00 C ATOM 1693 C LEU B 643 -3.702 -5.808 2.047 1.00 0.00 C ATOM 1694 O LEU B 643 -3.976 -6.979 2.215 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.347 -4.660 0.524 1.00 0.00 C ATOM 1696 CG LEU B 643 -5.801 -6.042 0.029 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -6.821 -6.649 1.003 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -6.442 -5.887 -1.354 1.00 0.00 C ATOM 0 H LEU B 643 -3.958 -2.827 1.583 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.622 -5.025 2.622 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -6.184 -3.963 0.490 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -4.576 -4.266 -0.139 1.00 0.00 H new ATOM 0 HG LEU B 643 -4.938 -6.705 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -7.134 -7.628 0.639 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.365 -6.756 1.987 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.690 -5.994 1.075 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -6.768 -6.862 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -7.301 -5.220 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -5.713 -5.468 -2.048 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.461 -5.415 1.965 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.355 -6.415 2.079 1.00 0.00 C ATOM 1712 C ALA B 644 -1.021 -6.621 3.560 1.00 0.00 C ATOM 1713 O ALA B 644 -0.792 -7.729 3.998 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.118 -5.924 1.327 1.00 0.00 C ATOM 0 H ALA B 644 -2.163 -4.450 1.825 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.673 -7.360 1.639 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.680 -6.661 1.418 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.364 -5.784 0.274 1.00 0.00 H new ATOM 0 HB3 ALA B 644 0.214 -4.976 1.752 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.011 -5.582 4.342 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.712 -5.759 5.792 1.00 0.00 C ATOM 1722 C LEU B 645 -1.890 -6.469 6.468 1.00 0.00 C ATOM 1723 O LEU B 645 -1.773 -7.596 6.907 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.496 -4.390 6.446 1.00 0.00 C ATOM 1725 CG LEU B 645 0.834 -3.778 5.979 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.909 -2.328 6.468 1.00 0.00 C ATOM 1727 CD2 LEU B 645 2.026 -4.574 6.549 1.00 0.00 C ATOM 0 H LEU B 645 -1.195 -4.623 4.046 1.00 0.00 H new ATOM 0 HA LEU B 645 0.192 -6.358 5.906 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.320 -3.724 6.191 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.495 -4.494 7.531 1.00 0.00 H new ATOM 0 HG LEU B 645 0.882 -3.813 4.891 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.849 -1.882 6.143 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.076 -1.761 6.053 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.856 -2.308 7.557 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.959 -4.126 6.208 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.990 -4.553 7.638 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.972 -5.607 6.204 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.013 -5.815 6.577 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.190 -6.450 7.242 1.00 0.00 C ATOM 1741 C ASN B 646 -4.408 -7.876 6.716 1.00 0.00 C ATOM 1742 O ASN B 646 -5.201 -8.624 7.254 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.441 -5.613 6.966 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.647 -6.253 7.656 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -6.537 -6.750 8.761 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -7.802 -6.263 7.049 1.00 0.00 N ATOM 0 H ASN B 646 -3.169 -4.867 6.234 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.000 -6.498 8.314 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.298 -4.596 7.330 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.617 -5.546 5.892 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -8.612 -6.687 7.501 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -7.895 -5.846 6.123 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.721 -8.265 5.674 1.00 0.00 N ATOM 1754 CA LYS B 647 -3.906 -9.647 5.129 1.00 0.00 C ATOM 1755 C LYS B 647 -2.946 -10.617 5.828 1.00 0.00 C ATOM 1756 O LYS B 647 -3.084 -11.818 5.711 1.00 0.00 O ATOM 1757 CB LYS B 647 -3.626 -9.643 3.622 1.00 0.00 C ATOM 1758 CG LYS B 647 -3.609 -11.080 3.092 1.00 0.00 C ATOM 1759 CD LYS B 647 -3.689 -11.062 1.565 1.00 0.00 C ATOM 1760 CE LYS B 647 -3.685 -12.498 1.036 1.00 0.00 C ATOM 1761 NZ LYS B 647 -4.879 -13.222 1.555 1.00 0.00 N ATOM 0 H LYS B 647 -3.041 -7.689 5.177 1.00 0.00 H new ATOM 0 HA LYS B 647 -4.932 -9.969 5.309 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -4.389 -9.064 3.103 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -2.669 -9.161 3.422 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -2.699 -11.586 3.413 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -4.448 -11.641 3.504 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -4.595 -10.548 1.244 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -2.845 -10.509 1.153 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -3.693 -12.495 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -2.773 -13.009 1.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -5.069 -14.051 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -4.699 -13.533 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -5.703 -12.588 1.540 1.00 0.00 H new ATOM 1775 N HIS B 648 -1.978 -10.108 6.552 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.002 -11.000 7.263 1.00 0.00 C ATOM 1777 C HIS B 648 -1.212 -10.870 8.775 1.00 0.00 C ATOM 1778 O HIS B 648 -0.346 -11.201 9.561 1.00 0.00 O ATOM 1779 CB HIS B 648 0.429 -10.572 6.908 1.00 0.00 C ATOM 1780 CG HIS B 648 0.802 -11.120 5.554 1.00 0.00 C ATOM 1781 ND1 HIS B 648 1.102 -12.458 5.357 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.928 -10.523 4.325 1.00 0.00 C ATOM 1783 CE1 HIS B 648 1.391 -12.621 4.053 1.00 0.00 C ATOM 1784 NE2 HIS B 648 1.300 -11.473 3.379 1.00 0.00 N ATOM 0 H HIS B 648 -1.820 -9.109 6.683 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.159 -12.035 6.958 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.503 -9.485 6.904 1.00 0.00 H new ATOM 0 HB3 HIS B 648 1.126 -10.936 7.663 1.00 0.00 H new ATOM 0 HD1 HIS B 648 1.104 -13.187 6.071 1.00 0.00 H new ATOM 0 HD2 HIS B 648 0.763 -9.475 4.123 1.00 0.00 H new ATOM 0 HE1 HIS B 648 1.663 -13.566 3.606 1.00 0.00 H new ATOM 1792 N MET B 649 -2.356 -10.390 9.188 1.00 0.00 N ATOM 1793 CA MET B 649 -2.629 -10.237 10.650 1.00 0.00 C ATOM 1794 C MET B 649 -3.412 -11.450 11.153 1.00 0.00 C ATOM 1795 O MET B 649 -4.416 -11.831 10.586 1.00 0.00 O ATOM 1796 CB MET B 649 -3.455 -8.969 10.880 1.00 0.00 C ATOM 1797 CG MET B 649 -2.611 -7.741 10.534 1.00 0.00 C ATOM 1798 SD MET B 649 -1.321 -7.524 11.784 1.00 0.00 S ATOM 1799 CE MET B 649 -0.610 -6.000 11.115 1.00 0.00 C ATOM 0 H MET B 649 -3.116 -10.096 8.574 1.00 0.00 H new ATOM 0 HA MET B 649 -1.686 -10.164 11.191 1.00 0.00 H new ATOM 0 HB2 MET B 649 -4.354 -8.991 10.264 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.782 -8.918 11.919 1.00 0.00 H new ATOM 0 HG2 MET B 649 -2.161 -7.862 9.549 1.00 0.00 H new ATOM 0 HG3 MET B 649 -3.242 -6.853 10.489 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.134 -5.438 11.918 1.00 0.00 H new ATOM 0 HE2 MET B 649 0.132 -6.247 10.356 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.399 -5.396 10.668 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.959 -12.061 12.213 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.678 -13.251 12.751 1.00 0.00 C ATOM 1811 C ASN B 650 -5.137 -12.882 13.029 1.00 0.00 C ATOM 1812 O ASN B 650 -6.002 -13.422 12.360 1.00 0.00 O ATOM 1813 CB ASN B 650 -3.010 -13.705 14.050 1.00 0.00 C ATOM 1814 CG ASN B 650 -1.535 -14.011 13.787 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -0.664 -13.458 14.430 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -1.214 -14.874 12.862 1.00 0.00 N ATOM 1817 OXT ASN B 650 -5.364 -12.066 13.908 1.00 0.00 O ATOM 0 H ASN B 650 -2.123 -11.788 12.730 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.641 -14.060 12.021 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -3.101 -12.928 14.809 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -3.512 -14.591 14.439 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -0.233 -15.084 12.679 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -1.944 -15.338 12.322 1.00 0.00 H new