USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ -117:sc= -1.74 (180deg=-4.75!) USER MOD Single : A 306 MET CE :methyl 151:sc= -0.0532 (180deg=-0.753) USER MOD Single : A 307 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.04) USER MOD Single : A 308 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.26) USER MOD Single : B 594 SER OG : rot 180:sc= 0.0109 USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 606 THR OG1 : rot -5:sc= 0.571 USER MOD Single : B 620 CYS SG : rot 80:sc= 0.621 USER MOD Single : B 621 SER OG : rot -30:sc= 0.534 USER MOD Single : B 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 626 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0961) USER MOD Single : B 628 LYS NZ :NH3+ 160:sc= -0.0743 (180deg=-0.737) USER MOD Single : B 630 SER OG : rot 180:sc= -0.011 USER MOD Single : B 637 ASN : amide:sc= -4.53! K(o=-4.5!,f=-0.64) USER MOD Single : B 642 GLN : amide:sc= -1.84! C(o=-1.8!,f=-2.6!) USER MOD Single : B 646 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : B 647 LYS NZ :NH3+ 145:sc= -0.202 (180deg=-1.33!) USER MOD Single : B 648 HIS : no HE2:sc= -3.59 K(o=-3.6,f=-8.6!) USER MOD Single : B 649 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 650 ASN : amide:sc= -1.56 K(o=-1.6,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.268 -2.036 -1.463 1.00 0.00 N ATOM 339 CA GLU A 301 18.054 -3.282 -2.259 1.00 0.00 C ATOM 340 C GLU A 301 16.555 -3.538 -2.300 1.00 0.00 C ATOM 341 O GLU A 301 16.022 -4.178 -3.188 1.00 0.00 O ATOM 342 CB GLU A 301 18.748 -4.454 -1.560 1.00 0.00 C ATOM 343 CG GLU A 301 18.678 -5.693 -2.452 1.00 0.00 C ATOM 344 CD GLU A 301 19.465 -6.835 -1.804 1.00 0.00 C ATOM 345 OE1 GLU A 301 20.661 -6.907 -2.033 1.00 0.00 O ATOM 346 OE2 GLU A 301 18.857 -7.616 -1.091 1.00 0.00 O ATOM 0 HA GLU A 301 18.460 -3.178 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 301 19.788 -4.202 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.269 -4.655 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 301 17.640 -5.990 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 301 19.087 -5.468 -3.437 1.00 0.00 H new ATOM 353 N PHE A 302 15.879 -2.984 -1.334 1.00 0.00 N ATOM 354 CA PHE A 302 14.403 -3.125 -1.269 1.00 0.00 C ATOM 355 C PHE A 302 13.762 -2.214 -2.314 1.00 0.00 C ATOM 356 O PHE A 302 13.013 -2.656 -3.163 1.00 0.00 O ATOM 357 CB PHE A 302 13.908 -2.736 0.126 1.00 0.00 C ATOM 358 CG PHE A 302 12.424 -3.012 0.232 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.957 -4.332 0.212 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.514 -1.951 0.348 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.585 -4.591 0.308 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.143 -2.211 0.445 1.00 0.00 C ATOM 363 CZ PHE A 302 9.677 -3.531 0.424 1.00 0.00 C ATOM 0 H PHE A 302 16.292 -2.435 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 302 14.128 -4.160 -1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.449 -3.301 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.106 -1.681 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 302 12.656 -5.151 0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 302 11.872 -0.932 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 302 10.226 -5.609 0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 302 9.444 -1.393 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.618 -3.732 0.497 1.00 0.00 H new ATOM 373 N CYS A 303 14.049 -0.943 -2.264 1.00 0.00 N ATOM 374 CA CYS A 303 13.455 -0.010 -3.258 1.00 0.00 C ATOM 375 C CYS A 303 14.192 -0.158 -4.595 1.00 0.00 C ATOM 376 O CYS A 303 13.605 -0.083 -5.656 1.00 0.00 O ATOM 377 CB CYS A 303 13.578 1.433 -2.736 1.00 0.00 C ATOM 378 SG CYS A 303 12.132 2.395 -3.248 1.00 0.00 S ATOM 0 H CYS A 303 14.669 -0.512 -1.578 1.00 0.00 H new ATOM 0 HA CYS A 303 12.401 -0.244 -3.407 1.00 0.00 H new ATOM 0 HB2 CYS A 303 13.659 1.431 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.488 1.893 -3.122 1.00 0.00 H new ATOM 383 N SER A 304 15.482 -0.350 -4.542 1.00 0.00 N ATOM 384 CA SER A 304 16.282 -0.484 -5.792 1.00 0.00 C ATOM 385 C SER A 304 15.740 -1.622 -6.666 1.00 0.00 C ATOM 386 O SER A 304 15.785 -1.547 -7.882 1.00 0.00 O ATOM 387 CB SER A 304 17.736 -0.778 -5.429 1.00 0.00 C ATOM 388 OG SER A 304 18.547 -0.640 -6.589 1.00 0.00 O ATOM 0 H SER A 304 16.020 -0.420 -3.678 1.00 0.00 H new ATOM 0 HA SER A 304 16.214 0.449 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.074 -0.093 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.826 -1.787 -5.027 1.00 0.00 H new ATOM 0 HG SER A 304 19.481 -0.827 -6.359 1.00 0.00 H new ATOM 394 N LYS A 305 15.179 -2.655 -6.070 1.00 0.00 N ATOM 395 CA LYS A 305 14.607 -3.763 -6.909 1.00 0.00 C ATOM 396 C LYS A 305 13.116 -3.497 -7.091 1.00 0.00 C ATOM 397 O LYS A 305 12.472 -4.025 -7.987 1.00 0.00 O ATOM 398 CB LYS A 305 14.847 -5.134 -6.273 1.00 0.00 C ATOM 399 CG LYS A 305 16.332 -5.490 -6.359 1.00 0.00 C ATOM 400 CD LYS A 305 16.578 -6.819 -5.640 1.00 0.00 C ATOM 401 CE LYS A 305 17.968 -7.345 -5.998 1.00 0.00 C ATOM 402 NZ LYS A 305 18.988 -6.307 -5.677 1.00 0.00 N ATOM 0 H LYS A 305 15.094 -2.777 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 305 15.106 -3.781 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 305 14.525 -5.124 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.252 -5.891 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.639 -5.566 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.933 -4.702 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.497 -6.681 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.818 -7.546 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 305 18.177 -8.260 -5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 305 18.011 -7.598 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 19.465 -6.007 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 18.523 -5.487 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 19.689 -6.701 -5.018 1.00 0.00 H new ATOM 416 N MET A 306 12.567 -2.627 -6.297 1.00 0.00 N ATOM 417 CA MET A 306 11.139 -2.289 -6.475 1.00 0.00 C ATOM 418 C MET A 306 11.028 -1.436 -7.728 1.00 0.00 C ATOM 419 O MET A 306 9.986 -1.376 -8.349 1.00 0.00 O ATOM 420 CB MET A 306 10.615 -1.505 -5.273 1.00 0.00 C ATOM 421 CG MET A 306 9.101 -1.324 -5.404 1.00 0.00 C ATOM 422 SD MET A 306 8.469 -0.440 -3.952 1.00 0.00 S ATOM 423 CE MET A 306 7.783 -1.865 -3.070 1.00 0.00 C ATOM 0 H MET A 306 13.044 -2.140 -5.538 1.00 0.00 H new ATOM 0 HA MET A 306 10.547 -3.200 -6.564 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.850 -2.034 -4.349 1.00 0.00 H new ATOM 0 HB3 MET A 306 11.105 -0.533 -5.217 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.868 -0.767 -6.312 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.614 -2.295 -5.492 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.813 -1.677 -1.997 1.00 0.00 H new ATOM 0 HE2 MET A 306 6.751 -2.024 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 306 8.372 -2.753 -3.300 1.00 0.00 H new ATOM 433 N ASN A 307 12.102 -0.783 -8.134 1.00 0.00 N ATOM 434 CA ASN A 307 12.015 0.037 -9.376 1.00 0.00 C ATOM 435 C ASN A 307 12.245 -0.924 -10.537 1.00 0.00 C ATOM 436 O ASN A 307 11.613 -0.843 -11.569 1.00 0.00 O ATOM 437 CB ASN A 307 13.073 1.142 -9.374 1.00 0.00 C ATOM 438 CG ASN A 307 12.972 1.947 -10.672 1.00 0.00 C ATOM 439 OD1 ASN A 307 12.370 3.003 -10.701 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.539 1.489 -11.754 1.00 0.00 N ATOM 0 H ASN A 307 13.009 -0.786 -7.667 1.00 0.00 H new ATOM 0 HA ASN A 307 11.046 0.530 -9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 307 12.928 1.797 -8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 307 14.068 0.707 -9.279 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.477 2.017 -12.625 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.044 0.603 -11.729 1.00 0.00 H new ATOM 447 N GLN A 308 13.155 -1.864 -10.335 1.00 0.00 N ATOM 448 CA GLN A 308 13.457 -2.898 -11.383 1.00 0.00 C ATOM 449 C GLN A 308 12.160 -3.309 -12.076 1.00 0.00 C ATOM 450 O GLN A 308 12.097 -3.421 -13.285 1.00 0.00 O ATOM 451 CB GLN A 308 14.064 -4.134 -10.713 1.00 0.00 C ATOM 452 CG GLN A 308 14.523 -5.136 -11.778 1.00 0.00 C ATOM 453 CD GLN A 308 15.740 -4.575 -12.516 1.00 0.00 C ATOM 454 OE1 GLN A 308 16.725 -4.216 -11.901 1.00 0.00 O ATOM 455 NE2 GLN A 308 15.715 -4.482 -13.818 1.00 0.00 N ATOM 0 H GLN A 308 13.703 -1.955 -9.480 1.00 0.00 H new ATOM 0 HA GLN A 308 14.155 -2.483 -12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.909 -3.842 -10.089 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.329 -4.600 -10.057 1.00 0.00 H new ATOM 0 HG2 GLN A 308 14.774 -6.089 -11.312 1.00 0.00 H new ATOM 0 HG3 GLN A 308 13.714 -5.330 -12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 308 14.889 -4.783 -14.335 1.00 0.00 H new ATOM 0 HE22 GLN A 308 16.522 -4.108 -14.318 1.00 0.00 H new ATOM 464 N VAL A 309 11.118 -3.528 -11.311 1.00 0.00 N ATOM 465 CA VAL A 309 9.808 -3.921 -11.924 1.00 0.00 C ATOM 466 C VAL A 309 9.515 -3.012 -13.127 1.00 0.00 C ATOM 467 O VAL A 309 8.688 -3.303 -13.968 1.00 0.00 O ATOM 468 CB VAL A 309 8.701 -3.762 -10.879 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.424 -4.440 -11.380 1.00 0.00 C ATOM 470 CG2 VAL A 309 9.150 -4.421 -9.574 1.00 0.00 C ATOM 0 H VAL A 309 11.116 -3.452 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 309 9.851 -4.958 -12.258 1.00 0.00 H new ATOM 0 HB VAL A 309 8.504 -2.704 -10.709 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.636 -4.327 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.109 -3.977 -12.315 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.616 -5.500 -11.546 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.367 -4.312 -8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.341 -5.480 -9.748 1.00 0.00 H new ATOM 0 HG23 VAL A 309 10.062 -3.941 -9.219 1.00 0.00 H new ATOM 480 N CYS A 310 10.218 -1.916 -13.200 1.00 0.00 N ATOM 481 CA CYS A 310 10.050 -0.950 -14.321 1.00 0.00 C ATOM 482 C CYS A 310 11.075 -1.258 -15.414 1.00 0.00 C ATOM 483 O CYS A 310 10.794 -1.148 -16.592 1.00 0.00 O ATOM 484 CB CYS A 310 10.294 0.466 -13.789 1.00 0.00 C ATOM 485 SG CYS A 310 9.161 0.805 -12.415 1.00 0.00 S ATOM 0 H CYS A 310 10.920 -1.643 -12.512 1.00 0.00 H new ATOM 0 HA CYS A 310 9.044 -1.029 -14.733 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.327 0.567 -13.455 1.00 0.00 H new ATOM 0 HB3 CYS A 310 10.144 1.195 -14.585 1.00 0.00 H new ATOM 490 N GLY A 311 12.265 -1.640 -15.035 1.00 0.00 N ATOM 491 CA GLY A 311 13.308 -1.951 -16.054 1.00 0.00 C ATOM 492 C GLY A 311 12.842 -3.116 -16.929 1.00 0.00 C ATOM 493 O GLY A 311 12.579 -4.200 -16.448 1.00 0.00 O ATOM 0 H GLY A 311 12.560 -1.750 -14.065 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.500 -1.074 -16.672 1.00 0.00 H new ATOM 0 HA3 GLY A 311 14.247 -2.206 -15.562 1.00 0.00 H new ATOM 928 N GLY B 593 -6.844 6.492 -0.631 1.00 0.00 N ATOM 929 CA GLY B 593 -5.780 5.743 -1.355 1.00 0.00 C ATOM 930 C GLY B 593 -4.673 6.710 -1.779 1.00 0.00 C ATOM 931 O GLY B 593 -4.571 7.082 -2.931 1.00 0.00 O ATOM 0 HA2 GLY B 593 -5.370 4.962 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.200 5.248 -2.231 1.00 0.00 H new ATOM 935 N SER B 594 -3.847 7.126 -0.858 1.00 0.00 N ATOM 936 CA SER B 594 -2.755 8.073 -1.218 1.00 0.00 C ATOM 937 C SER B 594 -1.629 7.331 -1.930 1.00 0.00 C ATOM 938 O SER B 594 -1.543 6.121 -1.908 1.00 0.00 O ATOM 939 CB SER B 594 -2.185 8.738 0.031 1.00 0.00 C ATOM 940 OG SER B 594 -1.940 7.748 1.022 1.00 0.00 O ATOM 0 H SER B 594 -3.881 6.852 0.124 1.00 0.00 H new ATOM 0 HA SER B 594 -3.175 8.834 -1.876 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.261 9.262 -0.212 1.00 0.00 H new ATOM 0 HB3 SER B 594 -2.884 9.484 0.411 1.00 0.00 H new ATOM 0 HG SER B 594 -1.572 8.173 1.825 1.00 0.00 H new ATOM 946 N LEU B 595 -0.764 8.073 -2.553 1.00 0.00 N ATOM 947 CA LEU B 595 0.385 7.474 -3.281 1.00 0.00 C ATOM 948 C LEU B 595 1.605 7.463 -2.353 1.00 0.00 C ATOM 949 O LEU B 595 2.032 8.500 -1.885 1.00 0.00 O ATOM 950 CB LEU B 595 0.689 8.360 -4.486 1.00 0.00 C ATOM 951 CG LEU B 595 -0.450 8.299 -5.525 1.00 0.00 C ATOM 952 CD1 LEU B 595 -0.665 6.855 -6.018 1.00 0.00 C ATOM 953 CD2 LEU B 595 -1.756 8.844 -4.916 1.00 0.00 C ATOM 0 H LEU B 595 -0.805 9.092 -2.590 1.00 0.00 H new ATOM 0 HA LEU B 595 0.154 6.457 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.830 9.390 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.624 8.042 -4.948 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.167 8.918 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -1.473 6.837 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU B 595 0.251 6.488 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -0.926 6.217 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -2.552 8.796 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -2.032 8.243 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -1.610 9.879 -4.608 1.00 0.00 H new ATOM 965 N LEU B 596 2.169 6.305 -2.078 1.00 0.00 N ATOM 966 CA LEU B 596 3.368 6.237 -1.168 1.00 0.00 C ATOM 967 C LEU B 596 4.493 5.445 -1.860 1.00 0.00 C ATOM 968 O LEU B 596 4.250 4.612 -2.710 1.00 0.00 O ATOM 969 CB LEU B 596 2.981 5.564 0.177 1.00 0.00 C ATOM 970 CG LEU B 596 1.452 5.617 0.392 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.777 4.441 -0.335 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.141 5.528 1.894 1.00 0.00 C ATOM 0 H LEU B 596 1.853 5.406 -2.442 1.00 0.00 H new ATOM 0 HA LEU B 596 3.720 7.247 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU B 596 3.318 4.528 0.181 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.487 6.068 1.001 1.00 0.00 H new ATOM 0 HG LEU B 596 1.070 6.556 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.301 4.486 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.991 4.502 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU B 596 1.162 3.500 0.059 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.062 5.565 2.045 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.531 4.591 2.291 1.00 0.00 H new ATOM 0 HD23 LEU B 596 1.609 6.365 2.413 1.00 0.00 H new ATOM 984 N ARG B 597 5.726 5.716 -1.503 1.00 0.00 N ATOM 985 CA ARG B 597 6.881 5.002 -2.133 1.00 0.00 C ATOM 986 C ARG B 597 7.187 3.706 -1.364 1.00 0.00 C ATOM 987 O ARG B 597 6.298 3.029 -0.889 1.00 0.00 O ATOM 988 CB ARG B 597 8.114 5.924 -2.121 1.00 0.00 C ATOM 989 CG ARG B 597 9.111 5.505 -3.221 1.00 0.00 C ATOM 990 CD ARG B 597 8.726 6.142 -4.567 1.00 0.00 C ATOM 991 NE ARG B 597 9.107 5.209 -5.674 1.00 0.00 N ATOM 992 CZ ARG B 597 10.308 4.696 -5.738 1.00 0.00 C ATOM 993 NH1 ARG B 597 11.259 5.147 -4.968 1.00 0.00 N ATOM 994 NH2 ARG B 597 10.573 3.768 -6.618 1.00 0.00 N ATOM 0 H ARG B 597 5.983 6.406 -0.797 1.00 0.00 H new ATOM 0 HA ARG B 597 6.628 4.744 -3.161 1.00 0.00 H new ATOM 0 HB2 ARG B 597 7.804 6.957 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.599 5.880 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG B 597 10.119 5.811 -2.942 1.00 0.00 H new ATOM 0 HG3 ARG B 597 9.122 4.419 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG B 597 7.655 6.343 -4.596 1.00 0.00 H new ATOM 0 HD3 ARG B 597 9.233 7.099 -4.690 1.00 0.00 H new ATOM 0 HE ARG B 597 8.420 4.970 -6.389 1.00 0.00 H new ATOM 0 HH11 ARG B 597 11.068 5.904 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG B 597 12.194 4.743 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG B 597 9.844 3.445 -7.254 1.00 0.00 H new ATOM 0 HH22 ARG B 597 11.509 3.367 -6.670 1.00 0.00 H new ATOM 1008 N CYS B 598 8.445 3.344 -1.264 1.00 0.00 N ATOM 1009 CA CYS B 598 8.820 2.080 -0.557 1.00 0.00 C ATOM 1010 C CYS B 598 9.036 2.347 0.935 1.00 0.00 C ATOM 1011 O CYS B 598 8.130 2.206 1.731 1.00 0.00 O ATOM 1012 CB CYS B 598 10.109 1.531 -1.174 1.00 0.00 C ATOM 1013 SG CYS B 598 11.244 2.901 -1.506 1.00 0.00 S ATOM 0 H CYS B 598 9.230 3.873 -1.644 1.00 0.00 H new ATOM 0 HA CYS B 598 8.015 1.354 -0.666 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.574 0.815 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.885 0.997 -2.098 1.00 0.00 H new ATOM 1018 N SER B 599 10.233 2.729 1.322 1.00 0.00 N ATOM 1019 CA SER B 599 10.502 3.001 2.770 1.00 0.00 C ATOM 1020 C SER B 599 9.357 3.841 3.333 1.00 0.00 C ATOM 1021 O SER B 599 9.093 3.866 4.528 1.00 0.00 O ATOM 1022 CB SER B 599 11.817 3.768 2.911 1.00 0.00 C ATOM 1023 OG SER B 599 12.002 4.138 4.272 1.00 0.00 O ATOM 0 H SER B 599 11.030 2.863 0.700 1.00 0.00 H new ATOM 0 HA SER B 599 10.577 2.061 3.317 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.649 3.150 2.574 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.803 4.656 2.279 1.00 0.00 H new ATOM 0 HG SER B 599 12.845 4.629 4.366 1.00 0.00 H new ATOM 1029 N GLU B 600 8.658 4.508 2.459 1.00 0.00 N ATOM 1030 CA GLU B 600 7.506 5.336 2.882 1.00 0.00 C ATOM 1031 C GLU B 600 6.658 4.523 3.862 1.00 0.00 C ATOM 1032 O GLU B 600 6.162 5.004 4.869 1.00 0.00 O ATOM 1033 CB GLU B 600 6.664 5.653 1.627 1.00 0.00 C ATOM 1034 CG GLU B 600 5.964 7.012 1.785 1.00 0.00 C ATOM 1035 CD GLU B 600 4.961 6.940 2.938 1.00 0.00 C ATOM 1036 OE1 GLU B 600 4.402 5.876 3.146 1.00 0.00 O ATOM 1037 OE2 GLU B 600 4.769 7.951 3.594 1.00 0.00 O ATOM 0 H GLU B 600 8.842 4.512 1.456 1.00 0.00 H new ATOM 0 HA GLU B 600 7.840 6.257 3.359 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.304 5.666 0.745 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.922 4.870 1.471 1.00 0.00 H new ATOM 0 HG2 GLU B 600 6.701 7.792 1.978 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.452 7.279 0.860 1.00 0.00 H new ATOM 1044 N ILE B 601 6.473 3.269 3.529 1.00 0.00 N ATOM 1045 CA ILE B 601 5.641 2.392 4.375 1.00 0.00 C ATOM 1046 C ILE B 601 6.378 2.157 5.695 1.00 0.00 C ATOM 1047 O ILE B 601 5.778 2.007 6.734 1.00 0.00 O ATOM 1048 CB ILE B 601 5.383 1.068 3.604 1.00 0.00 C ATOM 1049 CG1 ILE B 601 4.045 1.158 2.859 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.328 -0.140 4.544 1.00 0.00 C ATOM 1051 CD1 ILE B 601 4.125 2.245 1.786 1.00 0.00 C ATOM 0 H ILE B 601 6.869 2.823 2.701 1.00 0.00 H new ATOM 0 HA ILE B 601 4.675 2.844 4.602 1.00 0.00 H new ATOM 0 HB ILE B 601 6.211 0.932 2.908 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.807 0.198 2.401 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.242 1.384 3.560 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.146 -1.045 3.964 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.277 -0.233 5.073 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.522 -0.003 5.265 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.173 2.306 1.259 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.342 3.204 2.255 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.917 2.000 1.078 1.00 0.00 H new ATOM 1063 N TRP B 602 7.696 2.130 5.651 1.00 0.00 N ATOM 1064 CA TRP B 602 8.482 1.921 6.906 1.00 0.00 C ATOM 1065 C TRP B 602 7.888 2.829 7.968 1.00 0.00 C ATOM 1066 O TRP B 602 7.753 2.466 9.118 1.00 0.00 O ATOM 1067 CB TRP B 602 9.952 2.284 6.678 1.00 0.00 C ATOM 1068 CG TRP B 602 10.775 1.782 7.821 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.271 2.551 8.818 1.00 0.00 C ATOM 1070 CD2 TRP B 602 11.206 0.419 8.102 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.978 1.745 9.694 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.966 0.423 9.295 1.00 0.00 C ATOM 1073 CE3 TRP B 602 11.012 -0.809 7.444 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.514 -0.749 9.818 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.561 -1.991 7.967 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.310 -1.961 9.151 1.00 0.00 C ATOM 0 H TRP B 602 8.253 2.243 4.804 1.00 0.00 H new ATOM 0 HA TRP B 602 8.436 0.877 7.215 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.304 1.847 5.744 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.060 3.365 6.586 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.137 3.618 8.914 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.450 2.086 10.532 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.437 -0.843 6.530 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 13.091 -0.720 10.731 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.405 -2.928 7.454 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.729 -2.874 9.548 1.00 0.00 H new ATOM 1087 N ASP B 603 7.482 3.999 7.563 1.00 0.00 N ATOM 1088 CA ASP B 603 6.838 4.925 8.526 1.00 0.00 C ATOM 1089 C ASP B 603 5.479 4.328 8.903 1.00 0.00 C ATOM 1090 O ASP B 603 5.086 4.328 10.053 1.00 0.00 O ATOM 1091 CB ASP B 603 6.642 6.295 7.873 1.00 0.00 C ATOM 1092 CG ASP B 603 6.140 7.291 8.919 1.00 0.00 C ATOM 1093 OD1 ASP B 603 6.890 7.590 9.834 1.00 0.00 O ATOM 1094 OD2 ASP B 603 5.013 7.740 8.787 1.00 0.00 O ATOM 0 H ASP B 603 7.569 4.351 6.610 1.00 0.00 H new ATOM 0 HA ASP B 603 7.459 5.052 9.413 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.582 6.644 7.445 1.00 0.00 H new ATOM 0 HB3 ASP B 603 5.927 6.220 7.054 1.00 0.00 H new ATOM 1099 N ARG B 604 4.766 3.795 7.938 1.00 0.00 N ATOM 1100 CA ARG B 604 3.441 3.173 8.248 1.00 0.00 C ATOM 1101 C ARG B 604 3.638 2.063 9.294 1.00 0.00 C ATOM 1102 O ARG B 604 2.853 1.911 10.209 1.00 0.00 O ATOM 1103 CB ARG B 604 2.822 2.577 6.976 1.00 0.00 C ATOM 1104 CG ARG B 604 2.584 3.690 5.943 1.00 0.00 C ATOM 1105 CD ARG B 604 1.363 4.534 6.334 1.00 0.00 C ATOM 1106 NE ARG B 604 0.883 5.290 5.142 1.00 0.00 N ATOM 1107 CZ ARG B 604 -0.303 5.834 5.152 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -1.069 5.709 6.202 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -0.723 6.502 4.113 1.00 0.00 N ATOM 0 H ARG B 604 5.043 3.764 6.957 1.00 0.00 H new ATOM 0 HA ARG B 604 2.769 3.937 8.639 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.484 1.817 6.560 1.00 0.00 H new ATOM 0 HB3 ARG B 604 1.880 2.083 7.216 1.00 0.00 H new ATOM 0 HG2 ARG B 604 3.467 4.326 5.875 1.00 0.00 H new ATOM 0 HG3 ARG B 604 2.430 3.252 4.957 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.569 3.891 6.715 1.00 0.00 H new ATOM 0 HD3 ARG B 604 1.626 5.225 7.135 1.00 0.00 H new ATOM 0 HE ARG B 604 1.480 5.382 4.320 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.740 5.186 7.014 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.996 6.134 6.210 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -0.124 6.599 3.293 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -1.650 6.927 4.121 1.00 0.00 H new ATOM 1123 N ILE B 605 4.690 1.296 9.165 1.00 0.00 N ATOM 1124 CA ILE B 605 4.969 0.198 10.146 1.00 0.00 C ATOM 1125 C ILE B 605 5.354 0.780 11.507 1.00 0.00 C ATOM 1126 O ILE B 605 4.845 0.364 12.529 1.00 0.00 O ATOM 1127 CB ILE B 605 6.134 -0.660 9.641 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.882 -1.054 8.189 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.241 -1.926 10.493 1.00 0.00 C ATOM 1130 CD1 ILE B 605 7.055 -1.890 7.672 1.00 0.00 C ATOM 0 H ILE B 605 5.376 1.383 8.415 1.00 0.00 H new ATOM 0 HA ILE B 605 4.068 -0.406 10.249 1.00 0.00 H new ATOM 0 HB ILE B 605 7.061 -0.090 9.712 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.955 -1.623 8.112 1.00 0.00 H new ATOM 0 HG13 ILE B 605 5.760 -0.161 7.575 1.00 0.00 H new ATOM 0 HG21 ILE B 605 7.069 -2.537 10.134 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.417 -1.651 11.533 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.313 -2.494 10.419 1.00 0.00 H new ATOM 0 HD11 ILE B 605 6.873 -2.170 6.635 1.00 0.00 H new ATOM 0 HD12 ILE B 605 7.973 -1.306 7.734 1.00 0.00 H new ATOM 0 HD13 ILE B 605 7.156 -2.790 8.279 1.00 0.00 H new ATOM 1142 N THR B 606 6.254 1.721 11.546 1.00 0.00 N ATOM 1143 CA THR B 606 6.661 2.295 12.861 1.00 0.00 C ATOM 1144 C THR B 606 5.420 2.638 13.689 1.00 0.00 C ATOM 1145 O THR B 606 5.376 2.406 14.881 1.00 0.00 O ATOM 1146 CB THR B 606 7.491 3.560 12.638 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.806 4.422 11.740 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.852 3.183 12.051 1.00 0.00 C ATOM 0 H THR B 606 6.724 2.116 10.731 1.00 0.00 H new ATOM 0 HA THR B 606 7.259 1.559 13.399 1.00 0.00 H new ATOM 0 HB THR B 606 7.639 4.071 13.590 1.00 0.00 H new ATOM 0 HG1 THR B 606 5.997 3.976 11.411 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.442 4.085 11.893 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.376 2.523 12.742 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.709 2.671 11.099 1.00 0.00 H new ATOM 1267 N ILE B 614 4.119 -10.366 11.364 1.00 0.00 N ATOM 1268 CA ILE B 614 3.181 -9.748 10.375 1.00 0.00 C ATOM 1269 C ILE B 614 3.467 -10.306 8.971 1.00 0.00 C ATOM 1270 O ILE B 614 2.827 -9.938 8.008 1.00 0.00 O ATOM 1271 CB ILE B 614 3.384 -8.226 10.385 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.274 -7.542 9.580 1.00 0.00 C ATOM 1273 CG2 ILE B 614 4.739 -7.883 9.764 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.261 -6.046 9.903 1.00 0.00 C ATOM 0 HA ILE B 614 2.151 -9.983 10.643 1.00 0.00 H new ATOM 0 HB ILE B 614 3.352 -7.874 11.416 1.00 0.00 H new ATOM 0 HG12 ILE B 614 2.437 -7.694 8.513 1.00 0.00 H new ATOM 0 HG13 ILE B 614 1.308 -7.986 9.821 1.00 0.00 H new ATOM 0 HG21 ILE B 614 4.880 -6.802 9.773 1.00 0.00 H new ATOM 0 HG22 ILE B 614 5.534 -8.357 10.340 1.00 0.00 H new ATOM 0 HG23 ILE B 614 4.770 -8.245 8.736 1.00 0.00 H new ATOM 0 HD11 ILE B 614 1.472 -5.557 9.331 1.00 0.00 H new ATOM 0 HD12 ILE B 614 2.078 -5.905 10.968 1.00 0.00 H new ATOM 0 HD13 ILE B 614 3.224 -5.609 9.640 1.00 0.00 H new ATOM 1286 N ASP B 615 4.432 -11.182 8.851 1.00 0.00 N ATOM 1287 CA ASP B 615 4.774 -11.759 7.517 1.00 0.00 C ATOM 1288 C ASP B 615 5.296 -10.645 6.604 1.00 0.00 C ATOM 1289 O ASP B 615 4.568 -10.076 5.816 1.00 0.00 O ATOM 1290 CB ASP B 615 3.533 -12.412 6.893 1.00 0.00 C ATOM 1291 CG ASP B 615 3.961 -13.424 5.826 1.00 0.00 C ATOM 1292 OD1 ASP B 615 4.897 -13.129 5.099 1.00 0.00 O ATOM 1293 OD2 ASP B 615 3.349 -14.476 5.755 1.00 0.00 O ATOM 0 H ASP B 615 5.001 -11.524 9.625 1.00 0.00 H new ATOM 0 HA ASP B 615 5.545 -12.520 7.638 1.00 0.00 H new ATOM 0 HB2 ASP B 615 2.946 -12.910 7.665 1.00 0.00 H new ATOM 0 HB3 ASP B 615 2.894 -11.649 6.448 1.00 0.00 H new ATOM 1298 N VAL B 616 6.559 -10.337 6.711 1.00 0.00 N ATOM 1299 CA VAL B 616 7.149 -9.267 5.857 1.00 0.00 C ATOM 1300 C VAL B 616 7.469 -9.834 4.470 1.00 0.00 C ATOM 1301 O VAL B 616 7.643 -9.105 3.513 1.00 0.00 O ATOM 1302 CB VAL B 616 8.435 -8.753 6.514 1.00 0.00 C ATOM 1303 CG1 VAL B 616 8.936 -7.513 5.772 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.150 -8.388 7.973 1.00 0.00 C ATOM 0 H VAL B 616 7.211 -10.783 7.356 1.00 0.00 H new ATOM 0 HA VAL B 616 6.439 -8.447 5.752 1.00 0.00 H new ATOM 0 HB VAL B 616 9.196 -9.532 6.471 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.850 -7.152 6.243 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.140 -7.769 4.732 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.175 -6.733 5.811 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.064 -8.022 8.442 1.00 0.00 H new ATOM 0 HG22 VAL B 616 7.386 -7.611 8.011 1.00 0.00 H new ATOM 0 HG23 VAL B 616 7.797 -9.270 8.506 1.00 0.00 H new ATOM 1314 N ASP B 617 7.548 -11.129 4.355 1.00 0.00 N ATOM 1315 CA ASP B 617 7.863 -11.742 3.034 1.00 0.00 C ATOM 1316 C ASP B 617 6.640 -11.667 2.114 1.00 0.00 C ATOM 1317 O ASP B 617 6.758 -11.447 0.927 1.00 0.00 O ATOM 1318 CB ASP B 617 8.257 -13.207 3.234 1.00 0.00 C ATOM 1319 CG ASP B 617 9.482 -13.288 4.147 1.00 0.00 C ATOM 1320 OD1 ASP B 617 10.355 -12.447 4.009 1.00 0.00 O ATOM 1321 OD2 ASP B 617 9.526 -14.188 4.968 1.00 0.00 O ATOM 0 H ASP B 617 7.408 -11.791 5.118 1.00 0.00 H new ATOM 0 HA ASP B 617 8.688 -11.197 2.577 1.00 0.00 H new ATOM 0 HB2 ASP B 617 7.427 -13.761 3.672 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.476 -13.670 2.272 1.00 0.00 H new ATOM 1326 N GLY B 618 5.467 -11.852 2.648 1.00 0.00 N ATOM 1327 CA GLY B 618 4.248 -11.798 1.793 1.00 0.00 C ATOM 1328 C GLY B 618 3.985 -10.360 1.342 1.00 0.00 C ATOM 1329 O GLY B 618 3.720 -10.103 0.183 1.00 0.00 O ATOM 0 H GLY B 618 5.298 -12.038 3.637 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.376 -12.442 0.923 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.389 -12.176 2.347 1.00 0.00 H new ATOM 1333 N LEU B 619 4.050 -9.418 2.242 1.00 0.00 N ATOM 1334 CA LEU B 619 3.790 -8.010 1.840 1.00 0.00 C ATOM 1335 C LEU B 619 4.895 -7.568 0.865 1.00 0.00 C ATOM 1336 O LEU B 619 4.732 -6.622 0.121 1.00 0.00 O ATOM 1337 CB LEU B 619 3.691 -7.122 3.123 1.00 0.00 C ATOM 1338 CG LEU B 619 4.624 -5.887 3.100 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.132 -4.862 4.131 1.00 0.00 C ATOM 1340 CD2 LEU B 619 6.061 -6.307 3.457 1.00 0.00 C ATOM 0 H LEU B 619 4.270 -9.561 3.228 1.00 0.00 H new ATOM 0 HA LEU B 619 2.840 -7.905 1.316 1.00 0.00 H new ATOM 0 HB2 LEU B 619 2.661 -6.786 3.243 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.931 -7.731 3.995 1.00 0.00 H new ATOM 0 HG LEU B 619 4.613 -5.449 2.102 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.786 -3.990 4.118 1.00 0.00 H new ATOM 0 HD12 LEU B 619 3.115 -4.556 3.884 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.144 -5.310 5.124 1.00 0.00 H new ATOM 0 HD21 LEU B 619 6.711 -5.432 3.439 1.00 0.00 H new ATOM 0 HD22 LEU B 619 6.074 -6.748 4.454 1.00 0.00 H new ATOM 0 HD23 LEU B 619 6.417 -7.039 2.732 1.00 0.00 H new ATOM 1352 N CYS B 620 6.012 -8.252 0.850 1.00 0.00 N ATOM 1353 CA CYS B 620 7.101 -7.862 -0.092 1.00 0.00 C ATOM 1354 C CYS B 620 6.684 -8.220 -1.521 1.00 0.00 C ATOM 1355 O CYS B 620 6.841 -7.437 -2.436 1.00 0.00 O ATOM 1356 CB CYS B 620 8.392 -8.602 0.273 1.00 0.00 C ATOM 1357 SG CYS B 620 9.163 -7.799 1.701 1.00 0.00 S ATOM 0 H CYS B 620 6.214 -9.056 1.444 1.00 0.00 H new ATOM 0 HA CYS B 620 7.276 -6.788 -0.022 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.174 -9.645 0.502 1.00 0.00 H new ATOM 0 HB3 CYS B 620 9.078 -8.599 -0.574 1.00 0.00 H new ATOM 0 HG CYS B 620 8.559 -8.176 2.789 1.00 0.00 H new ATOM 1363 N SER B 621 6.136 -9.391 -1.721 1.00 0.00 N ATOM 1364 CA SER B 621 5.693 -9.787 -3.093 1.00 0.00 C ATOM 1365 C SER B 621 4.311 -9.186 -3.356 1.00 0.00 C ATOM 1366 O SER B 621 3.744 -9.335 -4.419 1.00 0.00 O ATOM 1367 CB SER B 621 5.642 -11.309 -3.218 1.00 0.00 C ATOM 1368 OG SER B 621 5.274 -11.661 -4.545 1.00 0.00 O ATOM 0 H SER B 621 5.976 -10.090 -0.995 1.00 0.00 H new ATOM 0 HA SER B 621 6.403 -9.412 -3.829 1.00 0.00 H new ATOM 0 HB2 SER B 621 6.613 -11.738 -2.972 1.00 0.00 H new ATOM 0 HB3 SER B 621 4.924 -11.719 -2.508 1.00 0.00 H new ATOM 0 HG SER B 621 4.703 -10.960 -4.923 1.00 0.00 H new ATOM 1374 N GLU B 622 3.783 -8.480 -2.396 1.00 0.00 N ATOM 1375 CA GLU B 622 2.455 -7.824 -2.562 1.00 0.00 C ATOM 1376 C GLU B 622 2.664 -6.348 -2.936 1.00 0.00 C ATOM 1377 O GLU B 622 2.020 -5.840 -3.831 1.00 0.00 O ATOM 1378 CB GLU B 622 1.667 -7.929 -1.240 1.00 0.00 C ATOM 1379 CG GLU B 622 0.158 -7.969 -1.522 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.210 -9.321 -2.137 1.00 0.00 C ATOM 1381 OE1 GLU B 622 0.695 -10.084 -2.428 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -1.393 -9.570 -2.305 1.00 0.00 O ATOM 0 H GLU B 622 4.222 -8.327 -1.488 1.00 0.00 H new ATOM 0 HA GLU B 622 1.891 -8.318 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU B 622 1.967 -8.827 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU B 622 1.902 -7.079 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU B 622 -0.400 -7.814 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU B 622 -0.118 -7.162 -2.200 1.00 0.00 H new ATOM 1389 N LEU B 623 3.548 -5.649 -2.272 1.00 0.00 N ATOM 1390 CA LEU B 623 3.762 -4.208 -2.624 1.00 0.00 C ATOM 1391 C LEU B 623 4.783 -4.103 -3.767 1.00 0.00 C ATOM 1392 O LEU B 623 4.803 -3.139 -4.508 1.00 0.00 O ATOM 1393 CB LEU B 623 4.310 -3.453 -1.392 1.00 0.00 C ATOM 1394 CG LEU B 623 3.160 -2.939 -0.515 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.405 -4.122 0.104 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.735 -2.053 0.597 1.00 0.00 C ATOM 0 H LEU B 623 4.126 -6.005 -1.510 1.00 0.00 H new ATOM 0 HA LEU B 623 2.814 -3.770 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.951 -4.115 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.928 -2.616 -1.717 1.00 0.00 H new ATOM 0 HG LEU B 623 2.467 -2.360 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.590 -3.749 0.725 1.00 0.00 H new ATOM 0 HD12 LEU B 623 1.999 -4.749 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.089 -4.709 0.717 1.00 0.00 H new ATOM 0 HD21 LEU B 623 2.924 -1.684 1.224 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.428 -2.635 1.205 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.263 -1.209 0.153 1.00 0.00 H new ATOM 1408 N MET B 624 5.663 -5.061 -3.877 1.00 0.00 N ATOM 1409 CA MET B 624 6.725 -4.994 -4.924 1.00 0.00 C ATOM 1410 C MET B 624 6.172 -5.217 -6.336 1.00 0.00 C ATOM 1411 O MET B 624 6.685 -4.658 -7.280 1.00 0.00 O ATOM 1412 CB MET B 624 7.787 -6.053 -4.630 1.00 0.00 C ATOM 1413 CG MET B 624 8.928 -5.927 -5.642 1.00 0.00 C ATOM 1414 SD MET B 624 10.319 -6.958 -5.115 1.00 0.00 S ATOM 1415 CE MET B 624 11.063 -7.189 -6.749 1.00 0.00 C ATOM 0 H MET B 624 5.693 -5.891 -3.285 1.00 0.00 H new ATOM 0 HA MET B 624 7.153 -3.992 -4.893 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.170 -5.928 -3.617 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.347 -7.049 -4.684 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.587 -6.235 -6.630 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.243 -4.887 -5.723 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.955 -7.809 -6.658 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.347 -7.678 -7.409 1.00 0.00 H new ATOM 0 HE3 MET B 624 11.336 -6.219 -7.165 1.00 0.00 H new ATOM 1425 N ALA B 625 5.144 -6.016 -6.511 1.00 0.00 N ATOM 1426 CA ALA B 625 4.601 -6.246 -7.899 1.00 0.00 C ATOM 1427 C ALA B 625 3.334 -5.421 -8.113 1.00 0.00 C ATOM 1428 O ALA B 625 2.859 -5.294 -9.224 1.00 0.00 O ATOM 1429 CB ALA B 625 4.319 -7.731 -8.129 1.00 0.00 C ATOM 0 H ALA B 625 4.659 -6.515 -5.765 1.00 0.00 H new ATOM 0 HA ALA B 625 5.352 -5.926 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.928 -7.875 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA B 625 5.242 -8.299 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.585 -8.079 -7.402 1.00 0.00 H new ATOM 1435 N LYS B 626 2.814 -4.796 -7.097 1.00 0.00 N ATOM 1436 CA LYS B 626 1.628 -3.920 -7.318 1.00 0.00 C ATOM 1437 C LYS B 626 2.186 -2.556 -7.728 1.00 0.00 C ATOM 1438 O LYS B 626 1.472 -1.630 -8.059 1.00 0.00 O ATOM 1439 CB LYS B 626 0.808 -3.797 -6.028 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.099 -5.026 -5.870 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.110 -4.773 -4.753 1.00 0.00 C ATOM 1442 CE LYS B 626 -1.917 -6.046 -4.495 1.00 0.00 C ATOM 1443 NZ LYS B 626 -2.845 -6.289 -5.636 1.00 0.00 N ATOM 0 H LYS B 626 3.151 -4.850 -6.136 1.00 0.00 H new ATOM 0 HA LYS B 626 0.966 -4.327 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.474 -3.712 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.205 -2.889 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -0.619 -5.230 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS B 626 0.501 -5.907 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -0.593 -4.467 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.777 -3.957 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.246 -6.896 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.482 -5.949 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -3.497 -7.062 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -3.390 -5.425 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -2.296 -6.550 -6.480 1.00 0.00 H new ATOM 1457 N ALA B 627 3.490 -2.459 -7.692 1.00 0.00 N ATOM 1458 CA ALA B 627 4.205 -1.204 -8.055 1.00 0.00 C ATOM 1459 C ALA B 627 3.616 -0.569 -9.318 1.00 0.00 C ATOM 1460 O ALA B 627 3.296 -1.245 -10.276 1.00 0.00 O ATOM 1461 CB ALA B 627 5.675 -1.547 -8.311 1.00 0.00 C ATOM 0 H ALA B 627 4.106 -3.224 -7.417 1.00 0.00 H new ATOM 0 HA ALA B 627 4.101 -0.491 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.219 -0.641 -8.579 1.00 0.00 H new ATOM 0 HB2 ALA B 627 6.110 -1.978 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.744 -2.266 -9.127 1.00 0.00 H new ATOM 1467 N LYS B 628 3.502 0.738 -9.326 1.00 0.00 N ATOM 1468 CA LYS B 628 2.970 1.465 -10.521 1.00 0.00 C ATOM 1469 C LYS B 628 4.105 2.313 -11.103 1.00 0.00 C ATOM 1470 O LYS B 628 4.340 3.431 -10.682 1.00 0.00 O ATOM 1471 CB LYS B 628 1.817 2.375 -10.095 1.00 0.00 C ATOM 1472 CG LYS B 628 1.068 2.864 -11.335 1.00 0.00 C ATOM 1473 CD LYS B 628 0.010 3.887 -10.919 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.612 4.514 -12.167 1.00 0.00 C ATOM 1475 NZ LYS B 628 -1.028 3.437 -13.110 1.00 0.00 N ATOM 0 H LYS B 628 3.759 1.340 -8.543 1.00 0.00 H new ATOM 0 HA LYS B 628 2.604 0.757 -11.265 1.00 0.00 H new ATOM 0 HB2 LYS B 628 1.137 1.834 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS B 628 2.200 3.225 -9.530 1.00 0.00 H new ATOM 0 HG2 LYS B 628 1.766 3.313 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.597 2.023 -11.844 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.761 3.405 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.461 4.660 -10.297 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -1.473 5.123 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS B 628 0.106 5.178 -12.650 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -1.733 3.812 -13.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -0.199 3.099 -13.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -1.443 2.648 -12.574 1.00 0.00 H new ATOM 1489 N CYS B 629 4.833 1.769 -12.039 1.00 0.00 N ATOM 1490 CA CYS B 629 5.986 2.507 -12.634 1.00 0.00 C ATOM 1491 C CYS B 629 5.563 3.883 -13.165 1.00 0.00 C ATOM 1492 O CYS B 629 4.789 4.012 -14.091 1.00 0.00 O ATOM 1493 CB CYS B 629 6.598 1.682 -13.766 1.00 0.00 C ATOM 1494 SG CYS B 629 7.353 0.190 -13.076 1.00 0.00 S ATOM 0 H CYS B 629 4.678 0.836 -12.421 1.00 0.00 H new ATOM 0 HA CYS B 629 6.725 2.664 -11.849 1.00 0.00 H new ATOM 0 HB2 CYS B 629 5.830 1.413 -14.492 1.00 0.00 H new ATOM 0 HB3 CYS B 629 7.346 2.270 -14.297 1.00 0.00 H new ATOM 1499 N SER B 630 6.118 4.904 -12.568 1.00 0.00 N ATOM 1500 CA SER B 630 5.838 6.311 -12.983 1.00 0.00 C ATOM 1501 C SER B 630 7.140 7.108 -12.854 1.00 0.00 C ATOM 1502 O SER B 630 8.041 6.700 -12.147 1.00 0.00 O ATOM 1503 CB SER B 630 4.770 6.914 -12.069 1.00 0.00 C ATOM 1504 OG SER B 630 4.565 8.276 -12.419 1.00 0.00 O ATOM 0 H SER B 630 6.771 4.819 -11.789 1.00 0.00 H new ATOM 0 HA SER B 630 5.475 6.341 -14.010 1.00 0.00 H new ATOM 0 HB2 SER B 630 3.837 6.358 -12.165 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.081 6.837 -11.027 1.00 0.00 H new ATOM 0 HG SER B 630 3.880 8.664 -11.836 1.00 0.00 H new ATOM 1510 N GLU B 631 7.271 8.231 -13.513 1.00 0.00 N ATOM 1511 CA GLU B 631 8.542 9.002 -13.385 1.00 0.00 C ATOM 1512 C GLU B 631 8.704 9.469 -11.938 1.00 0.00 C ATOM 1513 O GLU B 631 9.802 9.703 -11.473 1.00 0.00 O ATOM 1514 CB GLU B 631 8.526 10.206 -14.330 1.00 0.00 C ATOM 1515 CG GLU B 631 7.195 10.948 -14.195 1.00 0.00 C ATOM 1516 CD GLU B 631 7.235 12.226 -15.034 1.00 0.00 C ATOM 1517 OE1 GLU B 631 7.846 13.184 -14.590 1.00 0.00 O ATOM 1518 OE2 GLU B 631 6.652 12.226 -16.107 1.00 0.00 O ATOM 0 H GLU B 631 6.565 8.641 -14.124 1.00 0.00 H new ATOM 0 HA GLU B 631 9.382 8.363 -13.655 1.00 0.00 H new ATOM 0 HB2 GLU B 631 9.353 10.876 -14.095 1.00 0.00 H new ATOM 0 HB3 GLU B 631 8.666 9.875 -15.359 1.00 0.00 H new ATOM 0 HG2 GLU B 631 6.376 10.309 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU B 631 7.007 11.193 -13.149 1.00 0.00 H new ATOM 1525 N ARG B 632 7.630 9.567 -11.207 1.00 0.00 N ATOM 1526 CA ARG B 632 7.743 9.973 -9.778 1.00 0.00 C ATOM 1527 C ARG B 632 8.181 8.738 -8.985 1.00 0.00 C ATOM 1528 O ARG B 632 7.772 8.519 -7.862 1.00 0.00 O ATOM 1529 CB ARG B 632 6.384 10.469 -9.271 1.00 0.00 C ATOM 1530 CG ARG B 632 6.074 11.830 -9.901 1.00 0.00 C ATOM 1531 CD ARG B 632 4.673 12.282 -9.484 1.00 0.00 C ATOM 1532 NE ARG B 632 4.567 12.276 -7.998 1.00 0.00 N ATOM 1533 CZ ARG B 632 3.586 12.905 -7.410 1.00 0.00 C ATOM 1534 NH1 ARG B 632 2.698 13.541 -8.124 1.00 0.00 N ATOM 1535 NH2 ARG B 632 3.491 12.898 -6.109 1.00 0.00 N ATOM 0 H ARG B 632 6.682 9.384 -11.535 1.00 0.00 H new ATOM 0 HA ARG B 632 8.466 10.780 -9.660 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.604 9.751 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG B 632 6.397 10.553 -8.184 1.00 0.00 H new ATOM 0 HG2 ARG B 632 6.814 12.565 -9.584 1.00 0.00 H new ATOM 0 HG3 ARG B 632 6.137 11.762 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG B 632 4.473 13.282 -9.869 1.00 0.00 H new ATOM 0 HD3 ARG B 632 3.923 11.619 -9.915 1.00 0.00 H new ATOM 0 HE ARG B 632 5.262 11.780 -7.440 1.00 0.00 H new ATOM 0 HH11 ARG B 632 2.771 13.547 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG B 632 1.931 14.033 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG B 632 4.184 12.401 -5.550 1.00 0.00 H new ATOM 0 HH22 ARG B 632 2.724 13.390 -5.651 1.00 0.00 H new ATOM 1549 N GLY B 633 8.990 7.917 -9.600 1.00 0.00 N ATOM 1550 CA GLY B 633 9.448 6.665 -8.934 1.00 0.00 C ATOM 1551 C GLY B 633 8.252 5.720 -8.862 1.00 0.00 C ATOM 1552 O GLY B 633 7.220 5.985 -9.447 1.00 0.00 O ATOM 0 H GLY B 633 9.355 8.062 -10.541 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.264 6.209 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.828 6.879 -7.935 1.00 0.00 H new ATOM 1556 N VAL B 634 8.347 4.631 -8.153 1.00 0.00 N ATOM 1557 CA VAL B 634 7.191 3.704 -8.059 1.00 0.00 C ATOM 1558 C VAL B 634 6.168 4.280 -7.081 1.00 0.00 C ATOM 1559 O VAL B 634 6.530 4.849 -6.072 1.00 0.00 O ATOM 1560 CB VAL B 634 7.702 2.364 -7.513 1.00 0.00 C ATOM 1561 CG1 VAL B 634 6.527 1.451 -7.158 1.00 0.00 C ATOM 1562 CG2 VAL B 634 8.571 1.686 -8.575 1.00 0.00 C ATOM 0 H VAL B 634 9.177 4.344 -7.635 1.00 0.00 H new ATOM 0 HA VAL B 634 6.728 3.570 -9.036 1.00 0.00 H new ATOM 0 HB VAL B 634 8.289 2.547 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL B 634 6.905 0.504 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL B 634 5.909 1.931 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL B 634 5.928 1.266 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL B 634 8.937 0.733 -8.192 1.00 0.00 H new ATOM 0 HG22 VAL B 634 7.979 1.513 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL B 634 9.417 2.329 -8.817 1.00 0.00 H new ATOM 1572 N VAL B 635 4.897 4.134 -7.356 1.00 0.00 N ATOM 1573 CA VAL B 635 3.859 4.671 -6.416 1.00 0.00 C ATOM 1574 C VAL B 635 2.734 3.645 -6.260 1.00 0.00 C ATOM 1575 O VAL B 635 2.326 3.006 -7.209 1.00 0.00 O ATOM 1576 CB VAL B 635 3.302 5.984 -6.966 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.444 6.984 -7.151 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.622 5.730 -8.313 1.00 0.00 C ATOM 0 H VAL B 635 4.531 3.669 -8.187 1.00 0.00 H new ATOM 0 HA VAL B 635 4.308 4.858 -5.441 1.00 0.00 H new ATOM 0 HB VAL B 635 2.573 6.390 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.048 7.921 -7.543 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.926 7.168 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.174 6.577 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.226 6.668 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.348 5.323 -9.016 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.807 5.019 -8.181 1.00 0.00 H new ATOM 1588 N ILE B 636 2.238 3.481 -5.055 1.00 0.00 N ATOM 1589 CA ILE B 636 1.140 2.493 -4.797 1.00 0.00 C ATOM 1590 C ILE B 636 0.003 3.184 -4.044 1.00 0.00 C ATOM 1591 O ILE B 636 0.215 4.138 -3.324 1.00 0.00 O ATOM 1592 CB ILE B 636 1.684 1.354 -3.928 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.798 0.623 -4.684 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.556 0.371 -3.601 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.566 -0.278 -3.716 1.00 0.00 C ATOM 0 H ILE B 636 2.550 3.995 -4.231 1.00 0.00 H new ATOM 0 HA ILE B 636 0.773 2.100 -5.745 1.00 0.00 H new ATOM 0 HB ILE B 636 2.083 1.765 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.373 0.028 -5.492 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.475 1.344 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE B 636 0.946 -0.438 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.235 0.891 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.153 -0.041 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.359 -0.798 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE B 636 4.003 0.329 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.884 -1.008 -3.280 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.204 2.708 -4.192 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.345 3.340 -3.467 1.00 0.00 C ATOM 1609 C ASN B 637 -2.433 2.744 -2.059 1.00 0.00 C ATOM 1610 O ASN B 637 -2.517 1.546 -1.875 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.651 3.093 -4.225 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.555 3.709 -5.622 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -4.546 3.837 -6.313 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -2.392 4.099 -6.072 1.00 0.00 N ATOM 0 H ASN B 637 -1.449 1.912 -4.781 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.183 4.416 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.843 2.023 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.488 3.530 -3.680 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -2.317 4.510 -7.002 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -1.559 3.992 -5.493 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.399 3.593 -1.065 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.463 3.122 0.348 1.00 0.00 C ATOM 1623 C ALA B 638 -3.587 2.095 0.525 1.00 0.00 C ATOM 1624 O ALA B 638 -3.678 1.438 1.542 1.00 0.00 O ATOM 1625 CB ALA B 638 -2.712 4.317 1.272 1.00 0.00 C ATOM 0 H ALA B 638 -2.329 4.605 -1.175 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.515 2.648 0.602 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -2.759 3.974 2.306 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -1.899 5.035 1.165 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -3.655 4.793 1.005 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.448 1.953 -0.445 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.564 0.970 -0.307 1.00 0.00 C ATOM 1633 C GLU B 639 -5.074 -0.443 -0.644 1.00 0.00 C ATOM 1634 O GLU B 639 -5.663 -1.417 -0.216 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.718 1.359 -1.235 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.929 0.476 -0.938 1.00 0.00 C ATOM 1637 CD GLU B 639 -9.108 0.918 -1.807 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -9.259 2.113 -2.001 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.838 0.055 -2.265 1.00 0.00 O ATOM 0 H GLU B 639 -4.429 2.471 -1.323 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.916 0.981 0.725 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.976 2.408 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.417 1.243 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.688 -0.568 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.194 0.547 0.117 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.991 -0.588 -1.357 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.495 -1.970 -1.644 1.00 0.00 C ATOM 1648 C ASP B 640 -2.692 -2.437 -0.428 1.00 0.00 C ATOM 1649 O ASP B 640 -3.012 -3.436 0.187 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.620 -1.976 -2.898 1.00 0.00 C ATOM 1651 CG ASP B 640 -3.488 -1.711 -4.129 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -4.597 -1.233 -3.957 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -3.028 -1.989 -5.225 1.00 0.00 O ATOM 0 H ASP B 640 -3.435 0.172 -1.748 1.00 0.00 H new ATOM 0 HA ASP B 640 -4.333 -2.643 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -1.844 -1.215 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -2.114 -2.937 -2.997 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.686 -1.708 -0.044 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.911 -2.098 1.167 1.00 0.00 C ATOM 1660 C VAL B 641 -1.893 -2.301 2.326 1.00 0.00 C ATOM 1661 O VAL B 641 -1.873 -3.317 2.990 1.00 0.00 O ATOM 1662 CB VAL B 641 0.087 -0.991 1.522 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.649 0.342 1.692 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.802 -1.357 2.826 1.00 0.00 C ATOM 0 H VAL B 641 -1.366 -0.861 -0.513 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.360 -3.019 0.978 1.00 0.00 H new ATOM 0 HB VAL B 641 0.817 -0.891 0.719 1.00 0.00 H new ATOM 0 HG11 VAL B 641 0.068 1.124 1.944 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.155 0.600 0.761 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.384 0.252 2.492 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.514 -0.572 3.083 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.069 -1.459 3.626 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.333 -2.300 2.698 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.758 -1.352 2.575 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.738 -1.523 3.692 1.00 0.00 C ATOM 1676 C GLN B 642 -4.404 -2.897 3.553 1.00 0.00 C ATOM 1677 O GLN B 642 -4.657 -3.575 4.528 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.796 -0.414 3.637 1.00 0.00 C ATOM 1679 CG GLN B 642 -4.235 0.867 4.259 1.00 0.00 C ATOM 1680 CD GLN B 642 -5.186 2.030 3.976 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -5.433 2.364 2.834 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -5.737 2.664 4.974 1.00 0.00 N ATOM 0 H GLN B 642 -2.829 -0.474 2.060 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.223 -1.459 4.651 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -5.090 -0.229 2.604 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.693 -0.727 4.172 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -4.111 0.738 5.334 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -3.249 1.082 3.848 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -5.530 2.384 5.933 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -6.375 3.440 4.796 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.646 -3.330 2.345 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.245 -4.680 2.142 1.00 0.00 C ATOM 1693 C LEU B 643 -4.140 -5.724 2.304 1.00 0.00 C ATOM 1694 O LEU B 643 -4.406 -6.872 2.592 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.854 -4.786 0.739 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.098 -3.888 0.631 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.438 -3.667 -0.845 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -8.300 -4.545 1.330 1.00 0.00 C ATOM 0 H LEU B 643 -4.455 -2.807 1.490 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.036 -4.847 2.874 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.117 -4.491 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -6.124 -5.821 0.529 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.884 -2.935 1.114 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.320 -3.031 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.597 -3.185 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.640 -4.627 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -9.171 -3.895 1.243 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.515 -5.504 0.859 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -8.067 -4.701 2.383 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.900 -5.335 2.165 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.785 -6.311 2.359 1.00 0.00 C ATOM 1712 C ALA B 644 -1.433 -6.359 3.849 1.00 0.00 C ATOM 1713 O ALA B 644 -1.328 -7.419 4.433 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.561 -5.884 1.544 1.00 0.00 C ATOM 0 H ALA B 644 -2.611 -4.387 1.926 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.095 -7.299 2.018 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.245 -6.603 1.694 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.823 -5.847 0.487 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.232 -4.898 1.871 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.264 -5.227 4.475 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.941 -5.233 5.932 1.00 0.00 C ATOM 1722 C LEU B 645 -2.082 -5.911 6.690 1.00 0.00 C ATOM 1723 O LEU B 645 -1.896 -6.445 7.764 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.789 -3.794 6.436 1.00 0.00 C ATOM 1725 CG LEU B 645 0.498 -3.164 5.878 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.510 -1.669 6.213 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.741 -3.841 6.493 1.00 0.00 C ATOM 0 H LEU B 645 -1.335 -4.304 4.046 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.008 -5.773 6.096 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.653 -3.202 6.132 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.763 -3.784 7.526 1.00 0.00 H new ATOM 0 HG LEU B 645 0.524 -3.304 4.797 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.420 -1.215 5.820 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.359 -1.188 5.763 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.477 -1.538 7.295 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.643 -3.383 6.087 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.726 -3.715 7.576 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.733 -4.904 6.251 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.264 -5.893 6.135 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.428 -6.535 6.816 1.00 0.00 C ATOM 1741 C ASN B 646 -4.593 -7.969 6.308 1.00 0.00 C ATOM 1742 O ASN B 646 -5.389 -8.731 6.821 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.697 -5.741 6.497 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.879 -6.345 7.256 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -7.755 -6.943 6.662 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -6.942 -6.214 8.552 1.00 0.00 N ATOM 0 H ASN B 646 -3.475 -5.460 5.236 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.258 -6.547 7.893 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.566 -4.696 6.778 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.891 -5.760 5.425 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -7.726 -6.613 9.067 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -6.207 -5.712 9.050 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.861 -8.340 5.293 1.00 0.00 N ATOM 1754 CA LYS B 647 -3.993 -9.720 4.745 1.00 0.00 C ATOM 1755 C LYS B 647 -3.328 -10.730 5.680 1.00 0.00 C ATOM 1756 O LYS B 647 -3.981 -11.368 6.482 1.00 0.00 O ATOM 1757 CB LYS B 647 -3.330 -9.800 3.368 1.00 0.00 C ATOM 1758 CG LYS B 647 -3.424 -11.238 2.843 1.00 0.00 C ATOM 1759 CD LYS B 647 -3.108 -11.282 1.340 1.00 0.00 C ATOM 1760 CE LYS B 647 -1.603 -11.117 1.116 1.00 0.00 C ATOM 1761 NZ LYS B 647 -0.865 -12.159 1.886 1.00 0.00 N ATOM 0 H LYS B 647 -3.178 -7.748 4.820 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.054 -9.956 4.657 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -3.820 -9.115 2.676 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -2.286 -9.493 3.436 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -2.727 -11.876 3.386 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -4.424 -11.633 3.022 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -3.445 -12.228 0.917 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -3.650 -10.490 0.823 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -1.372 -11.203 0.054 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -1.285 -10.124 1.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -0.024 -12.456 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -0.571 -11.769 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -1.484 -12.980 2.041 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.039 -10.908 5.566 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.344 -11.907 6.427 1.00 0.00 C ATOM 1777 C HIS B 648 -1.355 -11.453 7.893 1.00 0.00 C ATOM 1778 O HIS B 648 -0.458 -11.769 8.650 1.00 0.00 O ATOM 1779 CB HIS B 648 0.102 -12.045 5.947 1.00 0.00 C ATOM 1780 CG HIS B 648 0.651 -10.683 5.623 1.00 0.00 C ATOM 1781 ND1 HIS B 648 0.676 -9.657 6.553 1.00 0.00 N ATOM 1782 CD2 HIS B 648 1.200 -10.165 4.477 1.00 0.00 C ATOM 1783 CE1 HIS B 648 1.225 -8.582 5.956 1.00 0.00 C ATOM 1784 NE2 HIS B 648 1.562 -8.838 4.689 1.00 0.00 N ATOM 0 H HIS B 648 -1.438 -10.405 4.914 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.860 -12.865 6.357 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.709 -12.520 6.717 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.145 -12.686 5.066 1.00 0.00 H new ATOM 0 HD1 HIS B 648 0.340 -9.707 7.515 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.331 -10.705 3.551 1.00 0.00 H new ATOM 0 HE1 HIS B 648 1.375 -7.629 6.442 1.00 0.00 H new ATOM 1792 N MET B 649 -2.351 -10.715 8.304 1.00 0.00 N ATOM 1793 CA MET B 649 -2.399 -10.245 9.722 1.00 0.00 C ATOM 1794 C MET B 649 -3.172 -11.261 10.566 1.00 0.00 C ATOM 1795 O MET B 649 -4.385 -11.328 10.522 1.00 0.00 O ATOM 1796 CB MET B 649 -3.096 -8.876 9.781 1.00 0.00 C ATOM 1797 CG MET B 649 -2.698 -8.135 11.063 1.00 0.00 C ATOM 1798 SD MET B 649 -1.097 -7.327 10.812 1.00 0.00 S ATOM 1799 CE MET B 649 -1.143 -6.258 12.271 1.00 0.00 C ATOM 0 H MET B 649 -3.133 -10.417 7.721 1.00 0.00 H new ATOM 0 HA MET B 649 -1.387 -10.149 10.114 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.822 -8.282 8.909 1.00 0.00 H new ATOM 0 HB3 MET B 649 -4.177 -9.009 9.749 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.456 -7.395 11.320 1.00 0.00 H new ATOM 0 HG3 MET B 649 -2.639 -8.834 11.898 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.233 -5.660 12.313 1.00 0.00 H new ATOM 0 HE2 MET B 649 -2.008 -5.598 12.211 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.216 -6.871 13.169 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.476 -12.053 11.336 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.162 -13.066 12.185 1.00 0.00 C ATOM 1811 C ASN B 650 -3.887 -12.362 13.334 1.00 0.00 C ATOM 1812 O ASN B 650 -4.775 -11.574 13.052 1.00 0.00 O ATOM 1813 CB ASN B 650 -2.125 -14.036 12.754 1.00 0.00 C ATOM 1814 CG ASN B 650 -2.833 -15.140 13.543 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -3.992 -15.011 13.883 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -2.180 -16.227 13.849 1.00 0.00 N ATOM 1817 OXT ASN B 650 -3.542 -12.623 14.474 1.00 0.00 O ATOM 0 H ASN B 650 -1.459 -12.041 11.413 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.885 -13.617 11.584 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -1.538 -14.472 11.946 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -1.429 -13.502 13.401 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -2.643 -16.969 14.374 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -1.207 -16.335 13.563 1.00 0.00 H new