USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=11 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+ 151:sc= -0.27 (180deg=-1.26!) USER MOD Single : A 306 MET CE :methyl -177:sc=-0.00958 (180deg=-0.0318) USER MOD Single : A 307 ASN : amide:sc= -3.44! C(o=-3.4!,f=-4.1!) USER MOD Single : A 308 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.12) USER MOD Single : B 594 SER OG : rot 180:sc= 0 USER MOD Single : B 599 SER OG : rot -11:sc= -1.25! USER MOD Single : B 606 THR OG1 : rot 7:sc= -0.183 USER MOD Single : B 620 CYS SG : rot -72:sc= -0.77! USER MOD Single : B 621 SER OG : rot -25:sc= 0.491 USER MOD Single : B 624 MET CE :methyl -169:sc= -0.124 (180deg=-0.296) USER MOD Single : B 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 628 LYS NZ :NH3+ -126:sc= -2.1 (180deg=-4.52!) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -4.54! K(o=-4.5!,f=-1.7) USER MOD Single : B 642 GLN : amide:sc= -1.9! K(o=-1.9!,f=-1.2) USER MOD Single : B 646 ASN : amide:sc= -0.729 X(o=-0.73,f=-0.43) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HD1:sc= -7.87! C(o=-7.9!,f=-15!) USER MOD Single : B 649 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 650 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 17.510 -3.732 -0.596 1.00 0.00 N ATOM 339 CA GLU A 301 16.881 -4.665 -1.553 1.00 0.00 C ATOM 340 C GLU A 301 15.391 -4.390 -1.581 1.00 0.00 C ATOM 341 O GLU A 301 14.708 -4.685 -2.541 1.00 0.00 O ATOM 342 CB GLU A 301 17.110 -6.099 -1.071 1.00 0.00 C ATOM 343 CG GLU A 301 18.608 -6.347 -0.893 1.00 0.00 C ATOM 344 CD GLU A 301 19.306 -6.251 -2.252 1.00 0.00 C ATOM 345 OE1 GLU A 301 18.989 -7.052 -3.116 1.00 0.00 O ATOM 346 OE2 GLU A 301 20.144 -5.378 -2.404 1.00 0.00 O ATOM 0 HA GLU A 301 17.310 -4.534 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 301 16.589 -6.264 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 301 16.697 -6.806 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 301 19.029 -5.615 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 301 18.775 -7.331 -0.455 1.00 0.00 H new ATOM 353 N PHE A 302 14.873 -3.833 -0.519 1.00 0.00 N ATOM 354 CA PHE A 302 13.422 -3.564 -0.485 1.00 0.00 C ATOM 355 C PHE A 302 13.083 -2.474 -1.507 1.00 0.00 C ATOM 356 O PHE A 302 12.296 -2.680 -2.407 1.00 0.00 O ATOM 357 CB PHE A 302 13.013 -3.130 0.926 1.00 0.00 C ATOM 358 CG PHE A 302 11.524 -3.329 1.134 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.014 -4.602 1.435 1.00 0.00 C ATOM 360 CD2 PHE A 302 10.657 -2.237 1.040 1.00 0.00 C ATOM 361 CE1 PHE A 302 9.635 -4.776 1.638 1.00 0.00 C ATOM 362 CE2 PHE A 302 9.282 -2.411 1.240 1.00 0.00 C ATOM 363 CZ PHE A 302 8.772 -3.680 1.539 1.00 0.00 C ATOM 0 H PHE A 302 15.392 -3.558 0.315 1.00 0.00 H new ATOM 0 HA PHE A 302 12.871 -4.469 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 302 13.569 -3.706 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.270 -2.082 1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.682 -5.447 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 302 11.048 -1.256 0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.242 -5.755 1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 302 8.614 -1.566 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 302 7.711 -3.813 1.693 1.00 0.00 H new ATOM 373 N CYS A 303 13.677 -1.319 -1.378 1.00 0.00 N ATOM 374 CA CYS A 303 13.393 -0.216 -2.343 1.00 0.00 C ATOM 375 C CYS A 303 14.178 -0.436 -3.641 1.00 0.00 C ATOM 376 O CYS A 303 13.634 -0.386 -4.726 1.00 0.00 O ATOM 377 CB CYS A 303 13.823 1.116 -1.723 1.00 0.00 C ATOM 378 SG CYS A 303 12.633 1.608 -0.451 1.00 0.00 S ATOM 0 H CYS A 303 14.348 -1.090 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 303 12.326 -0.203 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.818 1.021 -1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 303 13.885 1.884 -2.494 1.00 0.00 H new ATOM 383 N SER A 304 15.460 -0.650 -3.534 1.00 0.00 N ATOM 384 CA SER A 304 16.300 -0.843 -4.752 1.00 0.00 C ATOM 385 C SER A 304 15.661 -1.856 -5.707 1.00 0.00 C ATOM 386 O SER A 304 15.852 -1.780 -6.911 1.00 0.00 O ATOM 387 CB SER A 304 17.681 -1.350 -4.336 1.00 0.00 C ATOM 388 OG SER A 304 18.546 -1.339 -5.465 1.00 0.00 O ATOM 0 H SER A 304 15.966 -0.700 -2.650 1.00 0.00 H new ATOM 0 HA SER A 304 16.385 0.114 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.089 -0.721 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.604 -2.360 -3.932 1.00 0.00 H new ATOM 0 HG SER A 304 19.433 -1.662 -5.201 1.00 0.00 H new ATOM 394 N LYS A 305 14.866 -2.778 -5.206 1.00 0.00 N ATOM 395 CA LYS A 305 14.204 -3.765 -6.125 1.00 0.00 C ATOM 396 C LYS A 305 12.753 -3.351 -6.334 1.00 0.00 C ATOM 397 O LYS A 305 12.101 -3.789 -7.270 1.00 0.00 O ATOM 398 CB LYS A 305 14.290 -5.189 -5.572 1.00 0.00 C ATOM 399 CG LYS A 305 15.762 -5.575 -5.381 1.00 0.00 C ATOM 400 CD LYS A 305 15.871 -6.853 -4.535 1.00 0.00 C ATOM 401 CE LYS A 305 15.493 -8.078 -5.375 1.00 0.00 C ATOM 402 NZ LYS A 305 16.333 -8.121 -6.606 1.00 0.00 N ATOM 0 H LYS A 305 14.649 -2.889 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 305 14.726 -3.763 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 305 13.760 -5.254 -4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 305 13.806 -5.886 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.233 -5.731 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.299 -4.761 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.888 -6.962 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.214 -6.781 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 305 15.636 -8.988 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.438 -8.035 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 16.456 -9.109 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 15.866 -7.583 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 17.263 -7.701 -6.406 1.00 0.00 H new ATOM 416 N MET A 306 12.245 -2.458 -5.534 1.00 0.00 N ATOM 417 CA MET A 306 10.858 -2.003 -5.773 1.00 0.00 C ATOM 418 C MET A 306 10.872 -1.123 -7.019 1.00 0.00 C ATOM 419 O MET A 306 9.885 -1.036 -7.724 1.00 0.00 O ATOM 420 CB MET A 306 10.333 -1.201 -4.572 1.00 0.00 C ATOM 421 CG MET A 306 8.802 -1.091 -4.644 1.00 0.00 C ATOM 422 SD MET A 306 8.060 -2.554 -3.872 1.00 0.00 S ATOM 423 CE MET A 306 7.505 -1.778 -2.332 1.00 0.00 C ATOM 0 H MET A 306 12.723 -2.032 -4.740 1.00 0.00 H new ATOM 0 HA MET A 306 10.201 -2.862 -5.910 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.628 -1.687 -3.642 1.00 0.00 H new ATOM 0 HB3 MET A 306 10.778 -0.206 -4.566 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.466 -0.187 -4.135 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.480 -1.011 -5.682 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.062 -2.533 -1.683 1.00 0.00 H new ATOM 0 HE2 MET A 306 8.356 -1.321 -1.828 1.00 0.00 H new ATOM 0 HE3 MET A 306 6.763 -1.012 -2.557 1.00 0.00 H new ATOM 433 N ASN A 307 11.987 -0.478 -7.325 1.00 0.00 N ATOM 434 CA ASN A 307 12.019 0.369 -8.560 1.00 0.00 C ATOM 435 C ASN A 307 12.393 -0.553 -9.715 1.00 0.00 C ATOM 436 O ASN A 307 11.878 -0.442 -10.807 1.00 0.00 O ATOM 437 CB ASN A 307 13.046 1.496 -8.415 1.00 0.00 C ATOM 438 CG ASN A 307 14.408 0.901 -8.054 1.00 0.00 C ATOM 439 OD1 ASN A 307 14.829 0.963 -6.916 1.00 0.00 O ATOM 440 ND2 ASN A 307 15.120 0.324 -8.983 1.00 0.00 N ATOM 0 H ASN A 307 12.851 -0.504 -6.784 1.00 0.00 H new ATOM 0 HA ASN A 307 11.051 0.839 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.118 2.059 -9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 307 12.727 2.196 -7.643 1.00 0.00 H new ATOM 0 HD21 ASN A 307 16.030 -0.075 -8.754 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.766 0.272 -9.938 1.00 0.00 H new ATOM 447 N GLN A 308 13.296 -1.485 -9.446 1.00 0.00 N ATOM 448 CA GLN A 308 13.730 -2.475 -10.491 1.00 0.00 C ATOM 449 C GLN A 308 12.525 -2.867 -11.346 1.00 0.00 C ATOM 450 O GLN A 308 12.614 -2.981 -12.551 1.00 0.00 O ATOM 451 CB GLN A 308 14.275 -3.730 -9.795 1.00 0.00 C ATOM 452 CG GLN A 308 14.567 -4.838 -10.819 1.00 0.00 C ATOM 453 CD GLN A 308 15.517 -4.312 -11.898 1.00 0.00 C ATOM 454 OE1 GLN A 308 15.141 -4.186 -13.047 1.00 0.00 O ATOM 455 NE2 GLN A 308 16.742 -4.001 -11.573 1.00 0.00 N ATOM 0 H GLN A 308 13.750 -1.598 -8.540 1.00 0.00 H new ATOM 0 HA GLN A 308 14.501 -2.031 -11.120 1.00 0.00 H new ATOM 0 HB2 GLN A 308 15.186 -3.483 -9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.552 -4.088 -9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 308 15.011 -5.699 -10.320 1.00 0.00 H new ATOM 0 HG3 GLN A 308 13.637 -5.178 -11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 308 17.056 -4.107 -10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 308 17.385 -3.652 -12.283 1.00 0.00 H new ATOM 464 N VAL A 309 11.390 -3.063 -10.723 1.00 0.00 N ATOM 465 CA VAL A 309 10.163 -3.431 -11.500 1.00 0.00 C ATOM 466 C VAL A 309 10.041 -2.502 -12.711 1.00 0.00 C ATOM 467 O VAL A 309 9.311 -2.756 -13.648 1.00 0.00 O ATOM 468 CB VAL A 309 8.923 -3.245 -10.620 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.709 -3.863 -11.315 1.00 0.00 C ATOM 470 CG2 VAL A 309 9.142 -3.937 -9.277 1.00 0.00 C ATOM 0 H VAL A 309 11.258 -2.985 -9.715 1.00 0.00 H new ATOM 0 HA VAL A 309 10.238 -4.470 -11.822 1.00 0.00 H new ATOM 0 HB VAL A 309 8.750 -2.181 -10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.826 -3.731 -10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.550 -3.372 -12.275 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.884 -4.927 -11.476 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.259 -3.804 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.315 -5.001 -9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 309 10.008 -3.501 -8.780 1.00 0.00 H new ATOM 480 N CYS A 310 10.756 -1.413 -12.667 1.00 0.00 N ATOM 481 CA CYS A 310 10.722 -0.411 -13.765 1.00 0.00 C ATOM 482 C CYS A 310 11.843 -0.699 -14.769 1.00 0.00 C ATOM 483 O CYS A 310 11.792 -0.272 -15.905 1.00 0.00 O ATOM 484 CB CYS A 310 10.924 0.977 -13.147 1.00 0.00 C ATOM 485 SG CYS A 310 9.718 1.238 -11.820 1.00 0.00 S ATOM 0 H CYS A 310 11.378 -1.171 -11.895 1.00 0.00 H new ATOM 0 HA CYS A 310 9.767 -0.458 -14.289 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.937 1.066 -12.754 1.00 0.00 H new ATOM 0 HB3 CYS A 310 10.810 1.746 -13.911 1.00 0.00 H new ATOM 490 N GLY A 311 12.850 -1.421 -14.363 1.00 0.00 N ATOM 491 CA GLY A 311 13.966 -1.734 -15.301 1.00 0.00 C ATOM 492 C GLY A 311 13.548 -2.879 -16.227 1.00 0.00 C ATOM 493 O GLY A 311 12.842 -3.784 -15.830 1.00 0.00 O ATOM 0 H GLY A 311 12.949 -1.808 -13.424 1.00 0.00 H new ATOM 0 HA2 GLY A 311 14.220 -0.852 -15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 311 14.859 -2.012 -14.741 1.00 0.00 H new ATOM 928 N GLY B 593 -6.749 5.577 -3.483 1.00 0.00 N ATOM 929 CA GLY B 593 -6.123 5.938 -2.182 1.00 0.00 C ATOM 930 C GLY B 593 -5.035 6.983 -2.427 1.00 0.00 C ATOM 931 O GLY B 593 -5.170 7.840 -3.279 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.875 6.331 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -5.696 5.053 -1.711 1.00 0.00 H new ATOM 935 N SER B 594 -3.955 6.918 -1.688 1.00 0.00 N ATOM 936 CA SER B 594 -2.841 7.905 -1.872 1.00 0.00 C ATOM 937 C SER B 594 -1.639 7.221 -2.514 1.00 0.00 C ATOM 938 O SER B 594 -1.533 6.011 -2.552 1.00 0.00 O ATOM 939 CB SER B 594 -2.405 8.473 -0.527 1.00 0.00 C ATOM 940 OG SER B 594 -3.454 9.262 0.018 1.00 0.00 O ATOM 0 H SER B 594 -3.795 6.221 -0.961 1.00 0.00 H new ATOM 0 HA SER B 594 -3.204 8.709 -2.512 1.00 0.00 H new ATOM 0 HB2 SER B 594 -2.152 7.663 0.157 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.507 9.078 -0.650 1.00 0.00 H new ATOM 0 HG SER B 594 -3.174 9.626 0.884 1.00 0.00 H new ATOM 946 N LEU B 595 -0.732 8.008 -3.012 1.00 0.00 N ATOM 947 CA LEU B 595 0.490 7.464 -3.662 1.00 0.00 C ATOM 948 C LEU B 595 1.618 7.399 -2.627 1.00 0.00 C ATOM 949 O LEU B 595 2.031 8.413 -2.098 1.00 0.00 O ATOM 950 CB LEU B 595 0.890 8.422 -4.781 1.00 0.00 C ATOM 951 CG LEU B 595 0.009 8.182 -6.011 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.467 8.278 -5.614 1.00 0.00 C ATOM 953 CD2 LEU B 595 0.324 9.241 -7.071 1.00 0.00 C ATOM 0 H LEU B 595 -0.787 9.026 -2.996 1.00 0.00 H new ATOM 0 HA LEU B 595 0.305 6.466 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.786 9.453 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.939 8.276 -5.040 1.00 0.00 H new ATOM 0 HG LEU B 595 0.208 7.189 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -2.091 8.107 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -1.690 7.526 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.672 9.270 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -0.301 9.074 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU B 595 0.123 10.233 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU B 595 1.374 9.171 -7.355 1.00 0.00 H new ATOM 965 N LEU B 596 2.121 6.221 -2.333 1.00 0.00 N ATOM 966 CA LEU B 596 3.231 6.096 -1.325 1.00 0.00 C ATOM 967 C LEU B 596 4.372 5.268 -1.942 1.00 0.00 C ATOM 968 O LEU B 596 4.146 4.376 -2.736 1.00 0.00 O ATOM 969 CB LEU B 596 2.705 5.429 -0.019 1.00 0.00 C ATOM 970 CG LEU B 596 1.162 5.371 -0.017 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.683 4.176 -0.861 1.00 0.00 C ATOM 972 CD2 LEU B 596 0.657 5.211 1.425 1.00 0.00 C ATOM 0 H LEU B 596 1.813 5.341 -2.746 1.00 0.00 H new ATOM 0 HA LEU B 596 3.605 7.086 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU B 596 3.112 4.422 0.070 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.054 5.991 0.848 1.00 0.00 H new ATOM 0 HG LEU B 596 0.768 6.294 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.406 4.140 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU B 596 1.037 4.289 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU B 596 1.078 3.252 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU B 596 -0.432 5.170 1.427 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.055 4.290 1.850 1.00 0.00 H new ATOM 0 HD23 LEU B 596 0.989 6.060 2.023 1.00 0.00 H new ATOM 984 N ARG B 597 5.598 5.571 -1.590 1.00 0.00 N ATOM 985 CA ARG B 597 6.759 4.816 -2.161 1.00 0.00 C ATOM 986 C ARG B 597 7.032 3.560 -1.316 1.00 0.00 C ATOM 987 O ARG B 597 6.203 3.132 -0.538 1.00 0.00 O ATOM 988 CB ARG B 597 8.003 5.730 -2.184 1.00 0.00 C ATOM 989 CG ARG B 597 8.001 6.587 -3.456 1.00 0.00 C ATOM 990 CD ARG B 597 6.732 7.441 -3.506 1.00 0.00 C ATOM 991 NE ARG B 597 6.592 8.206 -2.234 1.00 0.00 N ATOM 992 CZ ARG B 597 5.766 9.214 -2.166 1.00 0.00 C ATOM 993 NH1 ARG B 597 5.062 9.552 -3.211 1.00 0.00 N ATOM 994 NH2 ARG B 597 5.644 9.884 -1.053 1.00 0.00 N ATOM 0 H ARG B 597 5.846 6.309 -0.931 1.00 0.00 H new ATOM 0 HA ARG B 597 6.527 4.505 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.009 6.372 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.909 5.126 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG B 597 8.882 7.228 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG B 597 8.054 5.947 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG B 597 6.777 8.127 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG B 597 5.860 6.805 -3.657 1.00 0.00 H new ATOM 0 HE ARG B 597 7.142 7.941 -1.417 1.00 0.00 H new ATOM 0 HH11 ARG B 597 5.157 9.028 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG B 597 4.416 10.340 -3.158 1.00 0.00 H new ATOM 0 HH21 ARG B 597 6.194 9.620 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG B 597 4.998 10.672 -1.000 1.00 0.00 H new ATOM 1008 N CYS B 598 8.181 2.954 -1.488 1.00 0.00 N ATOM 1009 CA CYS B 598 8.501 1.708 -0.727 1.00 0.00 C ATOM 1010 C CYS B 598 8.671 2.002 0.771 1.00 0.00 C ATOM 1011 O CYS B 598 7.728 1.910 1.531 1.00 0.00 O ATOM 1012 CB CYS B 598 9.783 1.082 -1.284 1.00 0.00 C ATOM 1013 SG CYS B 598 11.061 2.348 -1.484 1.00 0.00 S ATOM 0 H CYS B 598 8.913 3.270 -2.125 1.00 0.00 H new ATOM 0 HA CYS B 598 7.671 1.011 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.137 0.301 -0.611 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.578 0.607 -2.244 1.00 0.00 H new ATOM 1018 N SER B 599 9.863 2.342 1.208 1.00 0.00 N ATOM 1019 CA SER B 599 10.081 2.626 2.663 1.00 0.00 C ATOM 1020 C SER B 599 8.942 3.506 3.180 1.00 0.00 C ATOM 1021 O SER B 599 8.647 3.563 4.368 1.00 0.00 O ATOM 1022 CB SER B 599 11.418 3.354 2.846 1.00 0.00 C ATOM 1023 OG SER B 599 12.369 2.820 1.938 1.00 0.00 O ATOM 0 H SER B 599 10.692 2.435 0.621 1.00 0.00 H new ATOM 0 HA SER B 599 10.101 1.690 3.222 1.00 0.00 H new ATOM 0 HB2 SER B 599 11.291 4.422 2.671 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.771 3.238 3.871 1.00 0.00 H new ATOM 0 HG SER B 599 12.014 1.999 1.538 1.00 0.00 H new ATOM 1029 N GLU B 600 8.291 4.181 2.281 1.00 0.00 N ATOM 1030 CA GLU B 600 7.160 5.054 2.669 1.00 0.00 C ATOM 1031 C GLU B 600 6.251 4.280 3.627 1.00 0.00 C ATOM 1032 O GLU B 600 5.715 4.808 4.588 1.00 0.00 O ATOM 1033 CB GLU B 600 6.379 5.421 1.391 1.00 0.00 C ATOM 1034 CG GLU B 600 5.769 6.825 1.520 1.00 0.00 C ATOM 1035 CD GLU B 600 6.882 7.877 1.522 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.601 7.953 0.540 1.00 0.00 O ATOM 1037 OE2 GLU B 600 6.994 8.590 2.507 1.00 0.00 O ATOM 0 H GLU B 600 8.498 4.164 1.282 1.00 0.00 H new ATOM 0 HA GLU B 600 7.515 5.960 3.160 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.044 5.384 0.528 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.590 4.689 1.217 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.083 7.010 0.694 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.188 6.896 2.439 1.00 0.00 H new ATOM 1044 N ILE B 601 6.056 3.015 3.341 1.00 0.00 N ATOM 1045 CA ILE B 601 5.164 2.209 4.201 1.00 0.00 C ATOM 1046 C ILE B 601 5.864 2.013 5.546 1.00 0.00 C ATOM 1047 O ILE B 601 5.240 1.929 6.580 1.00 0.00 O ATOM 1048 CB ILE B 601 4.865 0.857 3.494 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.544 0.961 2.718 1.00 0.00 C ATOM 1050 CG2 ILE B 601 4.740 -0.293 4.499 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.703 1.960 1.569 1.00 0.00 C ATOM 0 H ILE B 601 6.476 2.519 2.555 1.00 0.00 H new ATOM 0 HA ILE B 601 4.209 2.706 4.373 1.00 0.00 H new ATOM 0 HB ILE B 601 5.698 0.649 2.822 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.262 -0.017 2.327 1.00 0.00 H new ATOM 0 HG13 ILE B 601 2.743 1.281 3.384 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.531 -1.221 3.966 1.00 0.00 H new ATOM 0 HG22 ILE B 601 5.673 -0.395 5.053 1.00 0.00 H new ATOM 0 HG23 ILE B 601 3.927 -0.082 5.194 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.765 2.034 1.018 1.00 0.00 H new ATOM 0 HD12 ILE B 601 3.965 2.938 1.971 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.492 1.620 0.898 1.00 0.00 H new ATOM 1063 N TRP B 602 7.182 1.945 5.527 1.00 0.00 N ATOM 1064 CA TRP B 602 7.945 1.768 6.798 1.00 0.00 C ATOM 1065 C TRP B 602 7.357 2.725 7.819 1.00 0.00 C ATOM 1066 O TRP B 602 7.189 2.401 8.977 1.00 0.00 O ATOM 1067 CB TRP B 602 9.427 2.094 6.575 1.00 0.00 C ATOM 1068 CG TRP B 602 10.231 1.589 7.731 1.00 0.00 C ATOM 1069 CD1 TRP B 602 10.331 2.200 8.934 1.00 0.00 C ATOM 1070 CD2 TRP B 602 11.049 0.386 7.815 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.155 1.447 9.751 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.622 0.319 9.107 1.00 0.00 C ATOM 1073 CE3 TRP B 602 11.344 -0.645 6.904 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.459 -0.733 9.482 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 12.186 -1.705 7.278 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.742 -1.749 8.565 1.00 0.00 C ATOM 0 H TRP B 602 7.754 2.005 4.685 1.00 0.00 H new ATOM 0 HA TRP B 602 7.872 0.737 7.145 1.00 0.00 H new ATOM 0 HB2 TRP B 602 9.775 1.636 5.649 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.561 3.170 6.468 1.00 0.00 H new ATOM 0 HD1 TRP B 602 9.847 3.125 9.211 1.00 0.00 H new ATOM 0 HE1 TRP B 602 11.389 1.695 10.712 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.920 -0.621 5.911 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.885 -0.762 10.474 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 12.407 -2.491 6.571 1.00 0.00 H new ATOM 0 HH2 TRP B 602 13.388 -2.567 8.847 1.00 0.00 H new ATOM 1087 N ASP B 603 6.996 3.894 7.373 1.00 0.00 N ATOM 1088 CA ASP B 603 6.359 4.862 8.301 1.00 0.00 C ATOM 1089 C ASP B 603 4.984 4.306 8.679 1.00 0.00 C ATOM 1090 O ASP B 603 4.589 4.317 9.830 1.00 0.00 O ATOM 1091 CB ASP B 603 6.199 6.215 7.604 1.00 0.00 C ATOM 1092 CG ASP B 603 5.713 7.256 8.616 1.00 0.00 C ATOM 1093 OD1 ASP B 603 5.996 7.088 9.791 1.00 0.00 O ATOM 1094 OD2 ASP B 603 5.067 8.203 8.198 1.00 0.00 O ATOM 0 H ASP B 603 7.114 4.218 6.413 1.00 0.00 H new ATOM 0 HA ASP B 603 6.972 5.002 9.191 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.149 6.528 7.172 1.00 0.00 H new ATOM 0 HB3 ASP B 603 5.488 6.131 6.782 1.00 0.00 H new ATOM 1099 N ARG B 604 4.256 3.789 7.717 1.00 0.00 N ATOM 1100 CA ARG B 604 2.917 3.204 8.036 1.00 0.00 C ATOM 1101 C ARG B 604 3.094 2.135 9.125 1.00 0.00 C ATOM 1102 O ARG B 604 2.226 1.916 9.948 1.00 0.00 O ATOM 1103 CB ARG B 604 2.302 2.573 6.781 1.00 0.00 C ATOM 1104 CG ARG B 604 2.108 3.652 5.705 1.00 0.00 C ATOM 1105 CD ARG B 604 0.956 4.595 6.087 1.00 0.00 C ATOM 1106 NE ARG B 604 0.434 5.258 4.859 1.00 0.00 N ATOM 1107 CZ ARG B 604 -0.715 5.876 4.891 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -1.404 5.911 5.999 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -1.173 6.458 3.818 1.00 0.00 N ATOM 0 H ARG B 604 4.529 3.747 6.735 1.00 0.00 H new ATOM 0 HA ARG B 604 2.249 3.989 8.390 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.950 1.782 6.404 1.00 0.00 H new ATOM 0 HB3 ARG B 604 1.345 2.112 7.025 1.00 0.00 H new ATOM 0 HG2 ARG B 604 3.028 4.223 5.585 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.897 3.182 4.744 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.160 4.035 6.578 1.00 0.00 H new ATOM 0 HD3 ARG B 604 1.304 5.344 6.798 1.00 0.00 H new ATOM 0 HE ARG B 604 0.974 5.229 3.994 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -1.044 5.456 6.838 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -2.302 6.394 6.026 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -0.633 6.430 2.953 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -2.071 6.941 3.844 1.00 0.00 H new ATOM 1123 N ILE B 605 4.225 1.476 9.131 1.00 0.00 N ATOM 1124 CA ILE B 605 4.506 0.418 10.153 1.00 0.00 C ATOM 1125 C ILE B 605 4.964 1.054 11.468 1.00 0.00 C ATOM 1126 O ILE B 605 4.518 0.672 12.531 1.00 0.00 O ATOM 1127 CB ILE B 605 5.624 -0.493 9.633 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.239 -1.013 8.250 1.00 0.00 C ATOM 1129 CG2 ILE B 605 5.805 -1.681 10.584 1.00 0.00 C ATOM 1130 CD1 ILE B 605 6.363 -1.891 7.694 1.00 0.00 C ATOM 0 H ILE B 605 4.979 1.628 8.461 1.00 0.00 H new ATOM 0 HA ILE B 605 3.595 -0.154 10.329 1.00 0.00 H new ATOM 0 HB ILE B 605 6.556 0.070 9.575 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.314 -1.586 8.312 1.00 0.00 H new ATOM 0 HG13 ILE B 605 5.051 -0.177 7.576 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.600 -2.327 10.212 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.069 -1.316 11.577 1.00 0.00 H new ATOM 0 HG23 ILE B 605 4.875 -2.247 10.641 1.00 0.00 H new ATOM 0 HD11 ILE B 605 6.083 -2.259 6.707 1.00 0.00 H new ATOM 0 HD12 ILE B 605 7.278 -1.304 7.616 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.529 -2.736 8.363 1.00 0.00 H new ATOM 1142 N THR B 606 5.865 2.004 11.410 1.00 0.00 N ATOM 1143 CA THR B 606 6.365 2.646 12.667 1.00 0.00 C ATOM 1144 C THR B 606 5.199 2.922 13.619 1.00 0.00 C ATOM 1145 O THR B 606 5.324 2.794 14.819 1.00 0.00 O ATOM 1146 CB THR B 606 7.072 3.962 12.331 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.276 4.708 11.425 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.433 3.668 11.699 1.00 0.00 C ATOM 0 H THR B 606 6.276 2.363 10.548 1.00 0.00 H new ATOM 0 HA THR B 606 7.068 1.968 13.151 1.00 0.00 H new ATOM 0 HB THR B 606 7.218 4.539 13.244 1.00 0.00 H new ATOM 0 HG1 THR B 606 5.407 4.268 11.314 1.00 0.00 H new ATOM 0 HG21 THR B 606 8.934 4.606 11.461 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.044 3.098 12.399 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.293 3.090 10.786 1.00 0.00 H new ATOM 1267 N ILE B 614 3.272 -10.449 11.120 1.00 0.00 N ATOM 1268 CA ILE B 614 2.483 -9.899 9.972 1.00 0.00 C ATOM 1269 C ILE B 614 3.067 -10.431 8.653 1.00 0.00 C ATOM 1270 O ILE B 614 2.627 -10.076 7.579 1.00 0.00 O ATOM 1271 CB ILE B 614 2.566 -8.366 9.995 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.447 -7.877 11.442 1.00 0.00 C ATOM 1273 CG2 ILE B 614 1.428 -7.761 9.161 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.345 -6.350 11.467 1.00 0.00 C ATOM 0 HA ILE B 614 1.441 -10.208 10.055 1.00 0.00 H new ATOM 0 HB ILE B 614 3.521 -8.054 9.572 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.568 -8.317 11.913 1.00 0.00 H new ATOM 0 HG13 ILE B 614 3.314 -8.202 12.018 1.00 0.00 H new ATOM 0 HG21 ILE B 614 1.498 -6.673 9.185 1.00 0.00 H new ATOM 0 HG22 ILE B 614 1.508 -8.107 8.131 1.00 0.00 H new ATOM 0 HG23 ILE B 614 0.469 -8.072 9.574 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.261 -6.008 12.498 1.00 0.00 H new ATOM 0 HD12 ILE B 614 3.237 -5.918 11.013 1.00 0.00 H new ATOM 0 HD13 ILE B 614 1.465 -6.035 10.907 1.00 0.00 H new ATOM 1286 N ASP B 615 4.061 -11.274 8.725 1.00 0.00 N ATOM 1287 CA ASP B 615 4.669 -11.811 7.476 1.00 0.00 C ATOM 1288 C ASP B 615 5.164 -10.645 6.620 1.00 0.00 C ATOM 1289 O ASP B 615 4.443 -10.109 5.802 1.00 0.00 O ATOM 1290 CB ASP B 615 3.630 -12.622 6.698 1.00 0.00 C ATOM 1291 CG ASP B 615 2.868 -13.535 7.661 1.00 0.00 C ATOM 1292 OD1 ASP B 615 3.511 -14.151 8.495 1.00 0.00 O ATOM 1293 OD2 ASP B 615 1.655 -13.603 7.547 1.00 0.00 O ATOM 0 H ASP B 615 4.477 -11.613 9.593 1.00 0.00 H new ATOM 0 HA ASP B 615 5.506 -12.462 7.728 1.00 0.00 H new ATOM 0 HB2 ASP B 615 2.936 -11.952 6.190 1.00 0.00 H new ATOM 0 HB3 ASP B 615 4.120 -13.217 5.928 1.00 0.00 H new ATOM 1298 N VAL B 616 6.394 -10.253 6.804 1.00 0.00 N ATOM 1299 CA VAL B 616 6.948 -9.125 6.005 1.00 0.00 C ATOM 1300 C VAL B 616 7.318 -9.639 4.608 1.00 0.00 C ATOM 1301 O VAL B 616 7.490 -8.880 3.670 1.00 0.00 O ATOM 1302 CB VAL B 616 8.184 -8.562 6.709 1.00 0.00 C ATOM 1303 CG1 VAL B 616 8.708 -7.353 5.933 1.00 0.00 C ATOM 1304 CG2 VAL B 616 7.800 -8.127 8.128 1.00 0.00 C ATOM 0 H VAL B 616 7.041 -10.667 7.475 1.00 0.00 H new ATOM 0 HA VAL B 616 6.207 -8.332 5.911 1.00 0.00 H new ATOM 0 HB VAL B 616 8.959 -9.327 6.755 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.589 -6.952 6.435 1.00 0.00 H new ATOM 0 HG12 VAL B 616 8.974 -7.658 4.921 1.00 0.00 H new ATOM 0 HG13 VAL B 616 7.935 -6.586 5.889 1.00 0.00 H new ATOM 0 HG21 VAL B 616 8.677 -7.725 8.635 1.00 0.00 H new ATOM 0 HG22 VAL B 616 7.027 -7.360 8.077 1.00 0.00 H new ATOM 0 HG23 VAL B 616 7.423 -8.986 8.682 1.00 0.00 H new ATOM 1314 N ASP B 617 7.422 -10.932 4.465 1.00 0.00 N ATOM 1315 CA ASP B 617 7.767 -11.514 3.139 1.00 0.00 C ATOM 1316 C ASP B 617 6.547 -11.433 2.218 1.00 0.00 C ATOM 1317 O ASP B 617 6.671 -11.273 1.022 1.00 0.00 O ATOM 1318 CB ASP B 617 8.176 -12.978 3.315 1.00 0.00 C ATOM 1319 CG ASP B 617 9.410 -13.059 4.217 1.00 0.00 C ATOM 1320 OD1 ASP B 617 9.514 -12.245 5.120 1.00 0.00 O ATOM 1321 OD2 ASP B 617 10.228 -13.934 3.990 1.00 0.00 O ATOM 0 H ASP B 617 7.282 -11.612 5.213 1.00 0.00 H new ATOM 0 HA ASP B 617 8.594 -10.957 2.700 1.00 0.00 H new ATOM 0 HB2 ASP B 617 7.355 -13.546 3.752 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.392 -13.425 2.345 1.00 0.00 H new ATOM 1326 N GLY B 618 5.369 -11.542 2.763 1.00 0.00 N ATOM 1327 CA GLY B 618 4.150 -11.471 1.910 1.00 0.00 C ATOM 1328 C GLY B 618 3.986 -10.053 1.364 1.00 0.00 C ATOM 1329 O GLY B 618 3.535 -9.857 0.253 1.00 0.00 O ATOM 0 H GLY B 618 5.197 -11.677 3.759 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.228 -12.181 1.087 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.271 -11.752 2.491 1.00 0.00 H new ATOM 1333 N LEU B 619 4.353 -9.059 2.126 1.00 0.00 N ATOM 1334 CA LEU B 619 4.211 -7.665 1.623 1.00 0.00 C ATOM 1335 C LEU B 619 5.202 -7.458 0.478 1.00 0.00 C ATOM 1336 O LEU B 619 4.979 -6.667 -0.416 1.00 0.00 O ATOM 1337 CB LEU B 619 4.482 -6.643 2.744 1.00 0.00 C ATOM 1338 CG LEU B 619 4.034 -7.214 4.086 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.247 -6.168 5.181 1.00 0.00 C ATOM 1340 CD2 LEU B 619 2.550 -7.588 4.022 1.00 0.00 C ATOM 0 H LEU B 619 4.741 -9.150 3.065 1.00 0.00 H new ATOM 0 HA LEU B 619 3.190 -7.512 1.272 1.00 0.00 H new ATOM 0 HB2 LEU B 619 5.544 -6.401 2.778 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.950 -5.714 2.538 1.00 0.00 H new ATOM 0 HG LEU B 619 4.620 -8.105 4.311 1.00 0.00 H new ATOM 0 HD11 LEU B 619 3.927 -6.575 6.140 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.304 -5.905 5.233 1.00 0.00 H new ATOM 0 HD13 LEU B 619 3.662 -5.277 4.952 1.00 0.00 H new ATOM 0 HD21 LEU B 619 2.236 -7.995 4.983 1.00 0.00 H new ATOM 0 HD22 LEU B 619 1.961 -6.700 3.794 1.00 0.00 H new ATOM 0 HD23 LEU B 619 2.396 -8.335 3.244 1.00 0.00 H new ATOM 1352 N CYS B 620 6.304 -8.161 0.502 1.00 0.00 N ATOM 1353 CA CYS B 620 7.307 -7.993 -0.584 1.00 0.00 C ATOM 1354 C CYS B 620 6.735 -8.482 -1.925 1.00 0.00 C ATOM 1355 O CYS B 620 6.843 -7.809 -2.924 1.00 0.00 O ATOM 1356 CB CYS B 620 8.593 -8.766 -0.231 1.00 0.00 C ATOM 1357 SG CYS B 620 8.483 -10.489 -0.786 1.00 0.00 S ATOM 0 H CYS B 620 6.550 -8.839 1.223 1.00 0.00 H new ATOM 0 HA CYS B 620 7.547 -6.934 -0.683 1.00 0.00 H new ATOM 0 HB2 CYS B 620 9.452 -8.283 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.756 -8.736 0.846 1.00 0.00 H new ATOM 0 HG CYS B 620 7.647 -11.136 -0.029 1.00 0.00 H new ATOM 1363 N SER B 621 6.133 -9.647 -1.969 1.00 0.00 N ATOM 1364 CA SER B 621 5.582 -10.146 -3.273 1.00 0.00 C ATOM 1365 C SER B 621 4.195 -9.545 -3.533 1.00 0.00 C ATOM 1366 O SER B 621 3.606 -9.760 -4.573 1.00 0.00 O ATOM 1367 CB SER B 621 5.511 -11.673 -3.275 1.00 0.00 C ATOM 1368 OG SER B 621 5.051 -12.120 -4.544 1.00 0.00 O ATOM 0 H SER B 621 6.000 -10.268 -1.171 1.00 0.00 H new ATOM 0 HA SER B 621 6.251 -9.831 -4.073 1.00 0.00 H new ATOM 0 HB2 SER B 621 6.493 -12.095 -3.062 1.00 0.00 H new ATOM 0 HB3 SER B 621 4.839 -12.018 -2.489 1.00 0.00 H new ATOM 0 HG SER B 621 4.523 -11.412 -4.968 1.00 0.00 H new ATOM 1374 N GLU B 622 3.688 -8.764 -2.625 1.00 0.00 N ATOM 1375 CA GLU B 622 2.363 -8.109 -2.845 1.00 0.00 C ATOM 1376 C GLU B 622 2.587 -6.661 -3.297 1.00 0.00 C ATOM 1377 O GLU B 622 1.940 -6.183 -4.207 1.00 0.00 O ATOM 1378 CB GLU B 622 1.562 -8.109 -1.545 1.00 0.00 C ATOM 1379 CG GLU B 622 1.075 -9.526 -1.240 1.00 0.00 C ATOM 1380 CD GLU B 622 0.589 -9.597 0.209 1.00 0.00 C ATOM 1381 OE1 GLU B 622 1.386 -9.331 1.093 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -0.572 -9.914 0.410 1.00 0.00 O ATOM 0 H GLU B 622 4.133 -8.547 -1.733 1.00 0.00 H new ATOM 0 HA GLU B 622 1.812 -8.658 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.180 -7.742 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.712 -7.432 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.268 -9.799 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU B 622 1.882 -10.242 -1.400 1.00 0.00 H new ATOM 1389 N LEU B 623 3.491 -5.953 -2.668 1.00 0.00 N ATOM 1390 CA LEU B 623 3.741 -4.533 -3.069 1.00 0.00 C ATOM 1391 C LEU B 623 4.768 -4.475 -4.217 1.00 0.00 C ATOM 1392 O LEU B 623 4.864 -3.486 -4.916 1.00 0.00 O ATOM 1393 CB LEU B 623 4.285 -3.745 -1.859 1.00 0.00 C ATOM 1394 CG LEU B 623 3.140 -3.326 -0.920 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.640 -4.539 -0.128 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.653 -2.264 0.061 1.00 0.00 C ATOM 0 H LEU B 623 4.065 -6.294 -1.897 1.00 0.00 H new ATOM 0 HA LEU B 623 2.803 -4.092 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU B 623 5.003 -4.357 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.819 -2.860 -2.206 1.00 0.00 H new ATOM 0 HG LEU B 623 2.321 -2.921 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.830 -4.233 0.534 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.276 -5.300 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.458 -4.949 0.465 1.00 0.00 H new ATOM 0 HD21 LEU B 623 2.845 -1.964 0.728 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.474 -2.677 0.648 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.006 -1.395 -0.495 1.00 0.00 H new ATOM 1408 N MET B 624 5.558 -5.502 -4.396 1.00 0.00 N ATOM 1409 CA MET B 624 6.599 -5.471 -5.474 1.00 0.00 C ATOM 1410 C MET B 624 5.977 -5.594 -6.871 1.00 0.00 C ATOM 1411 O MET B 624 6.523 -5.091 -7.830 1.00 0.00 O ATOM 1412 CB MET B 624 7.588 -6.619 -5.256 1.00 0.00 C ATOM 1413 CG MET B 624 8.617 -6.644 -6.384 1.00 0.00 C ATOM 1414 SD MET B 624 9.954 -7.788 -5.954 1.00 0.00 S ATOM 1415 CE MET B 624 11.254 -6.997 -6.935 1.00 0.00 C ATOM 0 H MET B 624 5.530 -6.360 -3.845 1.00 0.00 H new ATOM 0 HA MET B 624 7.111 -4.511 -5.419 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.091 -6.499 -4.296 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.054 -7.568 -5.219 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.144 -6.954 -7.316 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.018 -5.644 -6.548 1.00 0.00 H new ATOM 0 HE1 MET B 624 12.127 -7.649 -6.975 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.888 -6.817 -7.946 1.00 0.00 H new ATOM 0 HE3 MET B 624 11.530 -6.048 -6.475 1.00 0.00 H new ATOM 1425 N ALA B 625 4.849 -6.249 -7.010 1.00 0.00 N ATOM 1426 CA ALA B 625 4.216 -6.386 -8.369 1.00 0.00 C ATOM 1427 C ALA B 625 3.006 -5.457 -8.468 1.00 0.00 C ATOM 1428 O ALA B 625 2.435 -5.294 -9.528 1.00 0.00 O ATOM 1429 CB ALA B 625 3.803 -7.836 -8.628 1.00 0.00 C ATOM 0 H ALA B 625 4.338 -6.694 -6.248 1.00 0.00 H new ATOM 0 HA ALA B 625 4.944 -6.103 -9.129 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.348 -7.914 -9.615 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.682 -8.478 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.084 -8.150 -7.871 1.00 0.00 H new ATOM 1435 N LYS B 626 2.650 -4.794 -7.407 1.00 0.00 N ATOM 1436 CA LYS B 626 1.525 -3.818 -7.491 1.00 0.00 C ATOM 1437 C LYS B 626 2.154 -2.464 -7.830 1.00 0.00 C ATOM 1438 O LYS B 626 1.492 -1.516 -8.203 1.00 0.00 O ATOM 1439 CB LYS B 626 0.800 -3.741 -6.143 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.078 -4.992 -5.946 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.454 -4.781 -6.590 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.343 -5.991 -6.303 1.00 0.00 C ATOM 1443 NZ LYS B 626 -3.653 -5.819 -6.992 1.00 0.00 N ATOM 0 H LYS B 626 3.085 -4.882 -6.488 1.00 0.00 H new ATOM 0 HA LYS B 626 0.795 -4.114 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.526 -3.665 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.183 -2.843 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS B 626 0.409 -5.861 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.194 -5.200 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -1.916 -3.876 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.346 -4.643 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.856 -6.903 -6.647 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.496 -6.097 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -4.258 -6.642 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -4.118 -4.957 -6.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -3.498 -5.738 -8.017 1.00 0.00 H new ATOM 1457 N ALA B 627 3.452 -2.398 -7.688 1.00 0.00 N ATOM 1458 CA ALA B 627 4.218 -1.151 -7.975 1.00 0.00 C ATOM 1459 C ALA B 627 3.766 -0.515 -9.294 1.00 0.00 C ATOM 1460 O ALA B 627 3.604 -1.182 -10.296 1.00 0.00 O ATOM 1461 CB ALA B 627 5.703 -1.515 -8.075 1.00 0.00 C ATOM 0 H ALA B 627 4.028 -3.180 -7.376 1.00 0.00 H new ATOM 0 HA ALA B 627 4.043 -0.432 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.284 -0.617 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA B 627 6.035 -1.950 -7.133 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.847 -2.237 -8.879 1.00 0.00 H new ATOM 1467 N LYS B 628 3.596 0.788 -9.299 1.00 0.00 N ATOM 1468 CA LYS B 628 3.191 1.515 -10.545 1.00 0.00 C ATOM 1469 C LYS B 628 4.356 2.414 -10.968 1.00 0.00 C ATOM 1470 O LYS B 628 4.497 3.529 -10.505 1.00 0.00 O ATOM 1471 CB LYS B 628 1.955 2.377 -10.270 1.00 0.00 C ATOM 1472 CG LYS B 628 0.855 1.516 -9.643 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.282 2.416 -9.147 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.881 3.203 -10.320 1.00 0.00 C ATOM 1475 NZ LYS B 628 -0.056 4.419 -10.575 1.00 0.00 N ATOM 0 H LYS B 628 3.723 1.385 -8.482 1.00 0.00 H new ATOM 0 HA LYS B 628 2.950 0.802 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS B 628 2.214 3.198 -9.601 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.597 2.823 -11.198 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.475 0.803 -10.375 1.00 0.00 H new ATOM 0 HG3 LYS B 628 1.261 0.936 -8.814 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -1.055 1.811 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.093 3.105 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -0.913 2.578 -11.213 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.908 3.488 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -0.666 5.261 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 0.672 4.506 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 0.402 4.339 -11.505 1.00 0.00 H new ATOM 1489 N CYS B 629 5.216 1.909 -11.809 1.00 0.00 N ATOM 1490 CA CYS B 629 6.409 2.694 -12.244 1.00 0.00 C ATOM 1491 C CYS B 629 6.016 4.070 -12.796 1.00 0.00 C ATOM 1492 O CYS B 629 5.320 4.202 -13.782 1.00 0.00 O ATOM 1493 CB CYS B 629 7.177 1.913 -13.309 1.00 0.00 C ATOM 1494 SG CYS B 629 7.984 0.490 -12.540 1.00 0.00 S ATOM 0 H CYS B 629 5.144 0.977 -12.218 1.00 0.00 H new ATOM 0 HA CYS B 629 7.040 2.854 -11.370 1.00 0.00 H new ATOM 0 HB2 CYS B 629 6.497 1.580 -14.093 1.00 0.00 H new ATOM 0 HB3 CYS B 629 7.920 2.555 -13.782 1.00 0.00 H new ATOM 1499 N SER B 630 6.515 5.092 -12.147 1.00 0.00 N ATOM 1500 CA SER B 630 6.263 6.501 -12.573 1.00 0.00 C ATOM 1501 C SER B 630 7.549 7.296 -12.327 1.00 0.00 C ATOM 1502 O SER B 630 8.392 6.877 -11.558 1.00 0.00 O ATOM 1503 CB SER B 630 5.118 7.095 -11.750 1.00 0.00 C ATOM 1504 OG SER B 630 4.893 8.437 -12.158 1.00 0.00 O ATOM 0 H SER B 630 7.102 5.004 -11.318 1.00 0.00 H new ATOM 0 HA SER B 630 5.985 6.540 -13.626 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.212 6.505 -11.887 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.363 7.062 -10.688 1.00 0.00 H new ATOM 0 HG SER B 630 4.159 8.820 -11.634 1.00 0.00 H new ATOM 1510 N GLU B 631 7.734 8.426 -12.958 1.00 0.00 N ATOM 1511 CA GLU B 631 8.993 9.191 -12.718 1.00 0.00 C ATOM 1512 C GLU B 631 9.038 9.649 -11.259 1.00 0.00 C ATOM 1513 O GLU B 631 10.095 9.887 -10.711 1.00 0.00 O ATOM 1514 CB GLU B 631 9.065 10.401 -13.651 1.00 0.00 C ATOM 1515 CG GLU B 631 8.858 9.948 -15.098 1.00 0.00 C ATOM 1516 CD GLU B 631 8.725 11.174 -16.003 1.00 0.00 C ATOM 1517 OE1 GLU B 631 7.892 12.015 -15.707 1.00 0.00 O ATOM 1518 OE2 GLU B 631 9.457 11.251 -16.975 1.00 0.00 O ATOM 0 H GLU B 631 7.080 8.847 -13.618 1.00 0.00 H new ATOM 0 HA GLU B 631 9.848 8.547 -12.922 1.00 0.00 H new ATOM 0 HB2 GLU B 631 8.304 11.131 -13.376 1.00 0.00 H new ATOM 0 HB3 GLU B 631 10.031 10.895 -13.549 1.00 0.00 H new ATOM 0 HG2 GLU B 631 9.698 9.334 -15.422 1.00 0.00 H new ATOM 0 HG3 GLU B 631 7.964 9.329 -15.172 1.00 0.00 H new ATOM 1525 N ARG B 632 7.911 9.739 -10.611 1.00 0.00 N ATOM 1526 CA ARG B 632 7.916 10.141 -9.176 1.00 0.00 C ATOM 1527 C ARG B 632 8.295 8.908 -8.352 1.00 0.00 C ATOM 1528 O ARG B 632 7.816 8.697 -7.256 1.00 0.00 O ATOM 1529 CB ARG B 632 6.523 10.635 -8.774 1.00 0.00 C ATOM 1530 CG ARG B 632 6.178 11.902 -9.572 1.00 0.00 C ATOM 1531 CD ARG B 632 7.131 13.056 -9.192 1.00 0.00 C ATOM 1532 NE ARG B 632 6.359 14.334 -9.076 1.00 0.00 N ATOM 1533 CZ ARG B 632 5.505 14.699 -9.999 1.00 0.00 C ATOM 1534 NH1 ARG B 632 5.404 14.026 -11.111 1.00 0.00 N ATOM 1535 NH2 ARG B 632 4.782 15.771 -9.822 1.00 0.00 N ATOM 0 H ARG B 632 6.991 9.553 -11.010 1.00 0.00 H new ATOM 0 HA ARG B 632 8.629 10.947 -9.002 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.781 9.859 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG B 632 6.495 10.847 -7.705 1.00 0.00 H new ATOM 0 HG2 ARG B 632 6.252 11.698 -10.640 1.00 0.00 H new ATOM 0 HG3 ARG B 632 5.147 12.194 -9.374 1.00 0.00 H new ATOM 0 HD2 ARG B 632 7.628 12.834 -8.248 1.00 0.00 H new ATOM 0 HD3 ARG B 632 7.911 13.159 -9.946 1.00 0.00 H new ATOM 0 HE ARG B 632 6.501 14.932 -8.262 1.00 0.00 H new ATOM 0 HH11 ARG B 632 5.993 13.208 -11.267 1.00 0.00 H new ATOM 0 HH12 ARG B 632 4.736 14.317 -11.825 1.00 0.00 H new ATOM 0 HH21 ARG B 632 4.884 16.320 -8.968 1.00 0.00 H new ATOM 0 HH22 ARG B 632 4.115 16.060 -10.538 1.00 0.00 H new ATOM 1549 N GLY B 633 9.138 8.081 -8.908 1.00 0.00 N ATOM 1550 CA GLY B 633 9.548 6.832 -8.206 1.00 0.00 C ATOM 1551 C GLY B 633 8.367 5.868 -8.256 1.00 0.00 C ATOM 1552 O GLY B 633 7.394 6.121 -8.938 1.00 0.00 O ATOM 0 H GLY B 633 9.563 8.218 -9.825 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.422 6.392 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.825 7.046 -7.174 1.00 0.00 H new ATOM 1556 N VAL B 634 8.412 4.773 -7.551 1.00 0.00 N ATOM 1557 CA VAL B 634 7.266 3.826 -7.581 1.00 0.00 C ATOM 1558 C VAL B 634 6.134 4.363 -6.709 1.00 0.00 C ATOM 1559 O VAL B 634 6.373 4.905 -5.649 1.00 0.00 O ATOM 1560 CB VAL B 634 7.729 2.488 -7.002 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.243 2.692 -5.573 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.552 1.512 -6.976 1.00 0.00 C ATOM 0 H VAL B 634 9.192 4.494 -6.956 1.00 0.00 H new ATOM 0 HA VAL B 634 6.915 3.706 -8.606 1.00 0.00 H new ATOM 0 HB VAL B 634 8.530 2.086 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.572 1.736 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.081 3.389 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.443 3.096 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.880 0.558 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.754 1.921 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL B 634 6.182 1.361 -7.990 1.00 0.00 H new ATOM 1572 N VAL B 635 4.903 4.209 -7.131 1.00 0.00 N ATOM 1573 CA VAL B 635 3.756 4.701 -6.302 1.00 0.00 C ATOM 1574 C VAL B 635 2.658 3.637 -6.279 1.00 0.00 C ATOM 1575 O VAL B 635 2.386 2.987 -7.268 1.00 0.00 O ATOM 1576 CB VAL B 635 3.206 5.998 -6.894 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.304 7.063 -6.902 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.735 5.743 -8.327 1.00 0.00 C ATOM 0 H VAL B 635 4.642 3.765 -8.011 1.00 0.00 H new ATOM 0 HA VAL B 635 4.099 4.894 -5.286 1.00 0.00 H new ATOM 0 HB VAL B 635 2.368 6.346 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.911 7.988 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.642 7.245 -5.882 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.143 6.716 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.342 6.667 -8.751 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.574 5.395 -8.929 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.952 4.984 -8.323 1.00 0.00 H new ATOM 1588 N ILE B 636 2.033 3.447 -5.143 1.00 0.00 N ATOM 1589 CA ILE B 636 0.953 2.418 -5.019 1.00 0.00 C ATOM 1590 C ILE B 636 -0.244 3.030 -4.288 1.00 0.00 C ATOM 1591 O ILE B 636 -0.107 3.967 -3.530 1.00 0.00 O ATOM 1592 CB ILE B 636 1.479 1.227 -4.214 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.622 0.556 -4.980 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.352 0.216 -4.000 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.338 -0.439 -4.064 1.00 0.00 C ATOM 0 H ILE B 636 2.227 3.967 -4.287 1.00 0.00 H new ATOM 0 HA ILE B 636 0.648 2.085 -6.011 1.00 0.00 H new ATOM 0 HB ILE B 636 1.843 1.577 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.232 0.042 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.325 1.308 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE B 636 0.728 -0.632 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.464 0.690 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE B 636 -0.013 -0.132 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.152 -0.916 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE B 636 3.742 0.088 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.632 -1.198 -3.729 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.421 2.512 -4.514 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.625 3.070 -3.829 1.00 0.00 C ATOM 1609 C ASN B 637 -2.789 2.417 -2.453 1.00 0.00 C ATOM 1610 O ASN B 637 -2.769 1.210 -2.313 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.871 2.805 -4.676 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.905 1.330 -5.085 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -3.709 1.003 -6.239 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -4.147 0.421 -4.181 1.00 0.00 N ATOM 0 H ASN B 637 -1.602 1.728 -5.142 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.498 4.145 -3.703 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -4.768 3.058 -4.111 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -3.863 3.439 -5.562 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -4.172 -0.565 -4.443 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -4.311 0.696 -3.213 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.950 3.224 -1.439 1.00 0.00 N ATOM 1622 CA ALA B 638 -3.122 2.693 -0.055 1.00 0.00 C ATOM 1623 C ALA B 638 -4.146 1.554 -0.032 1.00 0.00 C ATOM 1624 O ALA B 638 -4.284 0.861 0.955 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.590 3.811 0.870 1.00 0.00 C ATOM 0 H ALA B 638 -2.970 4.241 -1.511 1.00 0.00 H new ATOM 0 HA ALA B 638 -2.161 2.307 0.286 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.715 3.420 1.880 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.848 4.610 0.879 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.542 4.204 0.513 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.860 1.346 -1.099 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.865 0.242 -1.114 1.00 0.00 C ATOM 1633 C GLU B 639 -5.164 -1.106 -1.329 1.00 0.00 C ATOM 1634 O GLU B 639 -5.710 -2.142 -1.009 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.894 0.483 -2.219 1.00 0.00 C ATOM 1636 CG GLU B 639 -8.029 -0.534 -2.093 1.00 0.00 C ATOM 1637 CD GLU B 639 -9.084 -0.255 -3.166 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -9.789 0.732 -3.032 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.169 -1.032 -4.103 1.00 0.00 O ATOM 0 H GLU B 639 -4.795 1.888 -1.960 1.00 0.00 H new ATOM 0 HA GLU B 639 -6.380 0.221 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -7.290 1.496 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.420 0.395 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.639 -1.546 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.478 -0.473 -1.102 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.954 -1.122 -1.821 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.251 -2.434 -1.991 1.00 0.00 C ATOM 1648 C ASP B 640 -2.544 -2.788 -0.676 1.00 0.00 C ATOM 1649 O ASP B 640 -2.717 -3.867 -0.148 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.240 -2.354 -3.138 1.00 0.00 C ATOM 1651 CG ASP B 640 -1.404 -3.634 -3.170 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -1.987 -4.696 -3.308 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -0.193 -3.530 -3.057 1.00 0.00 O ATOM 0 H ASP B 640 -3.426 -0.299 -2.110 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.976 -3.210 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -2.760 -2.223 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.592 -1.487 -3.007 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.774 -1.891 -0.127 1.00 0.00 N ATOM 1659 CA VAL B 641 -1.097 -2.197 1.168 1.00 0.00 C ATOM 1660 C VAL B 641 -2.175 -2.472 2.232 1.00 0.00 C ATOM 1661 O VAL B 641 -2.091 -3.428 2.977 1.00 0.00 O ATOM 1662 CB VAL B 641 -0.211 -1.005 1.583 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.903 0.304 1.237 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.080 -1.049 3.087 1.00 0.00 C ATOM 0 H VAL B 641 -1.584 -0.966 -0.513 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.460 -3.076 1.066 1.00 0.00 H new ATOM 0 HB VAL B 641 0.731 -1.071 1.039 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.270 1.140 1.534 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.082 0.348 0.163 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.854 0.364 1.766 1.00 0.00 H new ATOM 0 HG21 VAL B 641 0.706 -0.200 3.361 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -0.858 -1.002 3.641 1.00 0.00 H new ATOM 0 HG23 VAL B 641 0.599 -1.976 3.330 1.00 0.00 H new ATOM 1674 N GLN B 642 -3.181 -1.642 2.313 1.00 0.00 N ATOM 1675 CA GLN B 642 -4.248 -1.866 3.334 1.00 0.00 C ATOM 1676 C GLN B 642 -4.873 -3.248 3.126 1.00 0.00 C ATOM 1677 O GLN B 642 -5.204 -3.934 4.072 1.00 0.00 O ATOM 1678 CB GLN B 642 -5.324 -0.785 3.210 1.00 0.00 C ATOM 1679 CG GLN B 642 -4.783 0.538 3.756 1.00 0.00 C ATOM 1680 CD GLN B 642 -5.792 1.656 3.482 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -6.386 2.192 4.397 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -6.012 2.032 2.252 1.00 0.00 N ATOM 0 H GLN B 642 -3.311 -0.822 1.720 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.809 -1.815 4.330 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -5.618 -0.667 2.167 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -6.217 -1.080 3.761 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -4.600 0.454 4.827 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -3.828 0.773 3.287 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -5.513 1.582 1.484 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -6.683 2.776 2.058 1.00 0.00 H new ATOM 1691 N LEU B 643 -5.015 -3.673 1.902 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.592 -5.026 1.645 1.00 0.00 C ATOM 1693 C LEU B 643 -4.474 -6.067 1.768 1.00 0.00 C ATOM 1694 O LEU B 643 -4.731 -7.232 1.994 1.00 0.00 O ATOM 1695 CB LEU B 643 -6.215 -5.067 0.236 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.684 -4.588 0.268 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -8.597 -5.669 0.874 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.803 -3.292 1.089 1.00 0.00 C ATOM 0 H LEU B 643 -4.758 -3.145 1.068 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.374 -5.246 2.372 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.637 -4.436 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -6.168 -6.082 -0.157 1.00 0.00 H new ATOM 0 HG LEU B 643 -8.001 -4.396 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -9.626 -5.311 0.887 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -8.536 -6.576 0.272 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -8.276 -5.887 1.893 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.843 -2.965 1.104 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -7.466 -3.475 2.109 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.185 -2.517 0.636 1.00 0.00 H new ATOM 1710 N ALA B 644 -3.238 -5.663 1.654 1.00 0.00 N ATOM 1711 CA ALA B 644 -2.118 -6.642 1.804 1.00 0.00 C ATOM 1712 C ALA B 644 -1.743 -6.745 3.288 1.00 0.00 C ATOM 1713 O ALA B 644 -1.361 -7.794 3.767 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.909 -6.185 0.989 1.00 0.00 C ATOM 0 H ALA B 644 -2.954 -4.702 1.464 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.434 -7.618 1.437 1.00 0.00 H new ATOM 0 HB1 ALA B 644 -0.099 -6.905 1.105 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -1.185 -6.116 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.580 -5.208 1.343 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.861 -5.671 4.021 1.00 0.00 N ATOM 1721 CA LEU B 645 -1.524 -5.719 5.476 1.00 0.00 C ATOM 1722 C LEU B 645 -2.744 -6.222 6.260 1.00 0.00 C ATOM 1723 O LEU B 645 -2.734 -7.306 6.803 1.00 0.00 O ATOM 1724 CB LEU B 645 -1.149 -4.312 5.966 1.00 0.00 C ATOM 1725 CG LEU B 645 0.297 -3.961 5.566 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.570 -2.494 5.928 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.301 -4.868 6.313 1.00 0.00 C ATOM 0 H LEU B 645 -2.175 -4.763 3.678 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.681 -6.392 5.632 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.836 -3.579 5.543 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -1.254 -4.259 7.050 1.00 0.00 H new ATOM 0 HG LEU B 645 0.419 -4.115 4.494 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.591 -2.234 5.649 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.127 -1.851 5.391 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.440 -2.354 7.001 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.317 -4.606 6.018 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.188 -4.728 7.388 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.107 -5.910 6.060 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.782 -5.435 6.340 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.989 -5.867 7.106 1.00 0.00 C ATOM 1741 C ASN B 646 -5.358 -7.312 6.750 1.00 0.00 C ATOM 1742 O ASN B 646 -6.138 -7.945 7.433 1.00 0.00 O ATOM 1743 CB ASN B 646 -6.167 -4.947 6.774 1.00 0.00 C ATOM 1744 CG ASN B 646 -5.771 -3.494 7.044 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -6.169 -2.600 6.324 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -5.001 -3.221 8.060 1.00 0.00 N ATOM 0 H ASN B 646 -3.848 -4.513 5.909 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.766 -5.809 8.171 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -6.454 -5.069 5.730 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -7.034 -5.217 7.377 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -4.732 -2.256 8.251 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -4.668 -3.973 8.664 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.807 -7.843 5.688 1.00 0.00 N ATOM 1754 CA LYS B 647 -5.130 -9.251 5.293 1.00 0.00 C ATOM 1755 C LYS B 647 -4.042 -10.195 5.811 1.00 0.00 C ATOM 1756 O LYS B 647 -4.184 -11.401 5.763 1.00 0.00 O ATOM 1757 CB LYS B 647 -5.195 -9.348 3.768 1.00 0.00 C ATOM 1758 CG LYS B 647 -5.539 -10.783 3.356 1.00 0.00 C ATOM 1759 CD LYS B 647 -6.003 -10.801 1.898 1.00 0.00 C ATOM 1760 CE LYS B 647 -6.223 -12.247 1.451 1.00 0.00 C ATOM 1761 NZ LYS B 647 -6.569 -12.273 0.001 1.00 0.00 N ATOM 0 H LYS B 647 -4.147 -7.363 5.076 1.00 0.00 H new ATOM 0 HA LYS B 647 -6.091 -9.534 5.722 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -5.946 -8.659 3.382 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -4.239 -9.054 3.334 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -4.668 -11.426 3.479 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -6.322 -11.180 4.002 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -6.927 -10.232 1.792 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -5.258 -10.322 1.262 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -5.323 -12.835 1.632 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -7.023 -12.701 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -6.719 -13.256 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -7.439 -11.725 -0.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -5.791 -11.855 -0.549 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.956 -9.654 6.307 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.842 -10.507 6.833 1.00 0.00 C ATOM 1777 C HIS B 648 -1.755 -10.353 8.352 1.00 0.00 C ATOM 1778 O HIS B 648 -0.793 -10.761 8.972 1.00 0.00 O ATOM 1779 CB HIS B 648 -0.524 -10.050 6.206 1.00 0.00 C ATOM 1780 CG HIS B 648 -0.509 -10.412 4.747 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -1.674 -10.569 4.013 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.521 -10.652 3.872 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -1.320 -10.888 2.755 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.007 -10.953 2.614 1.00 0.00 N ATOM 0 H HIS B 648 -2.791 -8.649 6.371 1.00 0.00 H new ATOM 0 HA HIS B 648 -2.031 -11.551 6.583 1.00 0.00 H new ATOM 0 HB2 HIS B 648 -0.407 -8.973 6.325 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.316 -10.521 6.717 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.571 -10.613 4.122 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -2.023 -11.070 1.956 1.00 0.00 H new ATOM 0 HE2 HIS B 648 0.530 -11.175 1.767 1.00 0.00 H new ATOM 1792 N MET B 649 -2.753 -9.764 8.960 1.00 0.00 N ATOM 1793 CA MET B 649 -2.731 -9.579 10.444 1.00 0.00 C ATOM 1794 C MET B 649 -3.525 -10.706 11.110 1.00 0.00 C ATOM 1795 O MET B 649 -4.620 -11.034 10.698 1.00 0.00 O ATOM 1796 CB MET B 649 -3.369 -8.233 10.795 1.00 0.00 C ATOM 1797 CG MET B 649 -3.126 -7.922 12.274 1.00 0.00 C ATOM 1798 SD MET B 649 -1.369 -7.576 12.542 1.00 0.00 S ATOM 1799 CE MET B 649 -1.446 -5.780 12.330 1.00 0.00 C ATOM 0 H MET B 649 -3.584 -9.402 8.492 1.00 0.00 H new ATOM 0 HA MET B 649 -1.701 -9.600 10.799 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.946 -7.445 10.173 1.00 0.00 H new ATOM 0 HB3 MET B 649 -4.439 -8.261 10.590 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.726 -7.065 12.579 1.00 0.00 H new ATOM 0 HG3 MET B 649 -3.439 -8.765 12.889 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.450 -5.356 12.457 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.815 -5.547 11.331 1.00 0.00 H new ATOM 0 HE3 MET B 649 -2.119 -5.354 13.074 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.981 -11.300 12.136 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.704 -12.404 12.828 1.00 0.00 C ATOM 1811 C ASN B 650 -2.962 -12.772 14.114 1.00 0.00 C ATOM 1812 O ASN B 650 -3.597 -12.801 15.154 1.00 0.00 O ATOM 1813 CB ASN B 650 -3.771 -13.626 11.909 1.00 0.00 C ATOM 1814 CG ASN B 650 -4.636 -14.707 12.558 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -4.146 -15.518 13.320 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -5.912 -14.755 12.289 1.00 0.00 N ATOM 1817 OXT ASN B 650 -1.770 -13.020 14.036 1.00 0.00 O ATOM 0 H ASN B 650 -2.067 -11.069 12.525 1.00 0.00 H new ATOM 0 HA ASN B 650 -4.715 -12.079 13.073 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -4.188 -13.344 10.942 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -2.768 -14.010 11.724 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -6.497 -15.472 12.718 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -6.324 -14.075 11.650 1.00 0.00 H new