USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 647 LYS NZ :NH3+ -108:sc= -4.07! (180deg=-0.785) USER MOD Set 1.2: B 648 HIS : no HD1:sc= -3.28 K(o=-7.3,f=-3.7) USER MOD Single : A 304 SER OG : rot 170:sc= -0.391 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl 149:sc= -0.108 (180deg=-2.83!) USER MOD Single : A 307 ASN : amide:sc=-0.00918 X(o=-0.0092,f=0) USER MOD Single : A 308 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : B 594 SER OG : rot 180:sc= 0 USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 606 THR OG1 : rot -13:sc= 0.32 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot 180:sc= 0 USER MOD Single : B 624 MET CE :methyl 148:sc=-0.00404 (180deg=-0.614) USER MOD Single : B 626 LYS NZ :NH3+ 137:sc= -0.142 (180deg=-0.961) USER MOD Single : B 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.0032) USER MOD Single : B 642 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.2!) USER MOD Single : B 646 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.47) USER MOD Single : B 649 MET CE :methyl 168:sc= -0.0711 (180deg=-0.119) USER MOD Single : B 650 ASN : amide:sc= -0.697 X(o=-0.7,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.144 -2.133 -1.055 1.00 0.00 N ATOM 339 CA GLU A 301 17.928 -3.326 -1.924 1.00 0.00 C ATOM 340 C GLU A 301 16.422 -3.524 -2.011 1.00 0.00 C ATOM 341 O GLU A 301 15.884 -4.099 -2.939 1.00 0.00 O ATOM 342 CB GLU A 301 18.559 -4.552 -1.256 1.00 0.00 C ATOM 343 CG GLU A 301 18.501 -5.745 -2.214 1.00 0.00 C ATOM 344 CD GLU A 301 19.566 -5.583 -3.300 1.00 0.00 C ATOM 345 OE1 GLU A 301 19.307 -4.870 -4.255 1.00 0.00 O ATOM 346 OE2 GLU A 301 20.623 -6.178 -3.159 1.00 0.00 O ATOM 0 HA GLU A 301 18.372 -3.192 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 301 19.593 -4.340 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.030 -4.788 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 301 18.664 -6.673 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 301 17.512 -5.813 -2.667 1.00 0.00 H new ATOM 353 N PHE A 302 15.754 -2.995 -1.023 1.00 0.00 N ATOM 354 CA PHE A 302 14.276 -3.080 -0.969 1.00 0.00 C ATOM 355 C PHE A 302 13.666 -2.166 -2.031 1.00 0.00 C ATOM 356 O PHE A 302 12.940 -2.607 -2.899 1.00 0.00 O ATOM 357 CB PHE A 302 13.800 -2.651 0.421 1.00 0.00 C ATOM 358 CG PHE A 302 12.302 -2.810 0.525 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.749 -4.056 0.850 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.465 -1.710 0.305 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.360 -4.200 0.954 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.077 -1.855 0.408 1.00 0.00 C ATOM 363 CZ PHE A 302 9.524 -3.099 0.734 1.00 0.00 C ATOM 0 H PHE A 302 16.182 -2.500 -0.240 1.00 0.00 H new ATOM 0 HA PHE A 302 13.961 -4.105 -1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.292 -3.253 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.078 -1.613 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 302 12.394 -4.905 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 302 11.890 -0.749 0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.934 -5.160 1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 302 9.432 -1.006 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.453 -3.209 0.816 1.00 0.00 H new ATOM 373 N CYS A 303 13.950 -0.896 -1.968 1.00 0.00 N ATOM 374 CA CYS A 303 13.378 0.037 -2.976 1.00 0.00 C ATOM 375 C CYS A 303 14.131 -0.119 -4.304 1.00 0.00 C ATOM 376 O CYS A 303 13.545 -0.110 -5.367 1.00 0.00 O ATOM 377 CB CYS A 303 13.504 1.478 -2.459 1.00 0.00 C ATOM 378 SG CYS A 303 12.154 2.479 -3.132 1.00 0.00 S ATOM 0 H CYS A 303 14.551 -0.465 -1.265 1.00 0.00 H new ATOM 0 HA CYS A 303 12.325 -0.193 -3.140 1.00 0.00 H new ATOM 0 HB2 CYS A 303 13.472 1.489 -1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.465 1.899 -2.754 1.00 0.00 H new ATOM 383 N SER A 304 15.427 -0.251 -4.243 1.00 0.00 N ATOM 384 CA SER A 304 16.231 -0.394 -5.490 1.00 0.00 C ATOM 385 C SER A 304 15.669 -1.522 -6.363 1.00 0.00 C ATOM 386 O SER A 304 15.742 -1.463 -7.580 1.00 0.00 O ATOM 387 CB SER A 304 17.681 -0.717 -5.124 1.00 0.00 C ATOM 388 OG SER A 304 17.818 -2.120 -4.941 1.00 0.00 O ATOM 0 H SER A 304 15.967 -0.266 -3.378 1.00 0.00 H new ATOM 0 HA SER A 304 16.185 0.542 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.352 -0.374 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.964 -0.190 -4.213 1.00 0.00 H new ATOM 0 HG SER A 304 18.768 -2.349 -4.866 1.00 0.00 H new ATOM 394 N LYS A 305 15.063 -2.526 -5.765 1.00 0.00 N ATOM 395 CA LYS A 305 14.468 -3.630 -6.592 1.00 0.00 C ATOM 396 C LYS A 305 12.971 -3.371 -6.733 1.00 0.00 C ATOM 397 O LYS A 305 12.309 -3.924 -7.596 1.00 0.00 O ATOM 398 CB LYS A 305 14.725 -5.001 -5.965 1.00 0.00 C ATOM 399 CG LYS A 305 16.186 -5.403 -6.176 1.00 0.00 C ATOM 400 CD LYS A 305 16.422 -6.790 -5.574 1.00 0.00 C ATOM 401 CE LYS A 305 17.797 -7.309 -5.999 1.00 0.00 C ATOM 402 NZ LYS A 305 17.952 -8.724 -5.558 1.00 0.00 N ATOM 0 H LYS A 305 14.956 -2.628 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 305 14.940 -3.639 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 305 14.497 -4.972 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.066 -5.745 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.423 -5.411 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.847 -4.674 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.361 -6.740 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.644 -7.478 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 305 17.905 -7.240 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 305 18.582 -6.692 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 18.887 -9.077 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 17.867 -8.776 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 17.211 -9.307 -5.996 1.00 0.00 H new ATOM 416 N MET A 306 12.426 -2.489 -5.948 1.00 0.00 N ATOM 417 CA MET A 306 10.991 -2.184 -6.121 1.00 0.00 C ATOM 418 C MET A 306 10.859 -1.330 -7.369 1.00 0.00 C ATOM 419 O MET A 306 9.839 -1.336 -8.029 1.00 0.00 O ATOM 420 CB MET A 306 10.437 -1.419 -4.920 1.00 0.00 C ATOM 421 CG MET A 306 8.916 -1.310 -5.062 1.00 0.00 C ATOM 422 SD MET A 306 8.226 -0.449 -3.627 1.00 0.00 S ATOM 423 CE MET A 306 7.929 -1.904 -2.591 1.00 0.00 C ATOM 0 H MET A 306 12.905 -1.976 -5.208 1.00 0.00 H new ATOM 0 HA MET A 306 10.426 -3.112 -6.209 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.694 -1.934 -3.994 1.00 0.00 H new ATOM 0 HB3 MET A 306 10.883 -0.426 -4.867 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.665 -0.772 -5.976 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.477 -2.304 -5.147 1.00 0.00 H new ATOM 0 HE1 MET A 306 8.036 -1.631 -1.541 1.00 0.00 H new ATOM 0 HE2 MET A 306 6.920 -2.277 -2.768 1.00 0.00 H new ATOM 0 HE3 MET A 306 8.652 -2.681 -2.839 1.00 0.00 H new ATOM 433 N ASN A 307 11.895 -0.597 -7.727 1.00 0.00 N ATOM 434 CA ASN A 307 11.791 0.228 -8.962 1.00 0.00 C ATOM 435 C ASN A 307 12.037 -0.725 -10.123 1.00 0.00 C ATOM 436 O ASN A 307 11.354 -0.698 -11.121 1.00 0.00 O ATOM 437 CB ASN A 307 12.830 1.353 -8.951 1.00 0.00 C ATOM 438 CG ASN A 307 12.676 2.201 -10.215 1.00 0.00 C ATOM 439 OD1 ASN A 307 13.566 2.247 -11.042 1.00 0.00 O ATOM 440 ND2 ASN A 307 11.578 2.882 -10.401 1.00 0.00 N ATOM 0 H ASN A 307 12.782 -0.540 -7.227 1.00 0.00 H new ATOM 0 HA ASN A 307 10.815 0.706 -9.041 1.00 0.00 H new ATOM 0 HB2 ASN A 307 12.700 1.974 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.835 0.934 -8.901 1.00 0.00 H new ATOM 0 HD21 ASN A 307 11.467 3.452 -11.240 1.00 0.00 H new ATOM 0 HD22 ASN A 307 10.831 2.844 -9.708 1.00 0.00 H new ATOM 447 N GLN A 308 13.016 -1.601 -9.953 1.00 0.00 N ATOM 448 CA GLN A 308 13.340 -2.623 -11.005 1.00 0.00 C ATOM 449 C GLN A 308 12.047 -3.095 -11.671 1.00 0.00 C ATOM 450 O GLN A 308 11.976 -3.258 -12.872 1.00 0.00 O ATOM 451 CB GLN A 308 14.012 -3.830 -10.348 1.00 0.00 C ATOM 452 CG GLN A 308 14.313 -4.884 -11.414 1.00 0.00 C ATOM 453 CD GLN A 308 15.287 -5.919 -10.846 1.00 0.00 C ATOM 454 OE1 GLN A 308 15.128 -6.372 -9.731 1.00 0.00 O ATOM 455 NE2 GLN A 308 16.297 -6.314 -11.572 1.00 0.00 N ATOM 0 H GLN A 308 13.605 -1.647 -9.122 1.00 0.00 H new ATOM 0 HA GLN A 308 14.004 -2.178 -11.746 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.934 -3.523 -9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.362 -4.249 -9.580 1.00 0.00 H new ATOM 0 HG2 GLN A 308 13.391 -5.371 -11.730 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.742 -4.411 -12.297 1.00 0.00 H new ATOM 0 HE21 GLN A 308 16.431 -5.934 -12.509 1.00 0.00 H new ATOM 0 HE22 GLN A 308 16.952 -7.003 -11.202 1.00 0.00 H new ATOM 464 N VAL A 309 11.014 -3.297 -10.889 1.00 0.00 N ATOM 465 CA VAL A 309 9.708 -3.739 -11.471 1.00 0.00 C ATOM 466 C VAL A 309 9.385 -2.881 -12.705 1.00 0.00 C ATOM 467 O VAL A 309 8.544 -3.218 -13.514 1.00 0.00 O ATOM 468 CB VAL A 309 8.599 -3.563 -10.429 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.313 -4.214 -10.939 1.00 0.00 C ATOM 470 CG2 VAL A 309 9.023 -4.233 -9.120 1.00 0.00 C ATOM 0 H VAL A 309 11.019 -3.175 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 309 9.775 -4.788 -11.760 1.00 0.00 H new ATOM 0 HB VAL A 309 8.425 -2.501 -10.257 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.523 -4.089 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.012 -3.741 -11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.486 -5.277 -11.109 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.236 -4.109 -8.376 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.194 -5.295 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.941 -3.772 -8.756 1.00 0.00 H new ATOM 480 N CYS A 310 10.069 -1.778 -12.847 1.00 0.00 N ATOM 481 CA CYS A 310 9.847 -0.875 -14.013 1.00 0.00 C ATOM 482 C CYS A 310 10.732 -1.322 -15.180 1.00 0.00 C ATOM 483 O CYS A 310 10.388 -1.150 -16.334 1.00 0.00 O ATOM 484 CB CYS A 310 10.212 0.562 -13.618 1.00 0.00 C ATOM 485 SG CYS A 310 8.865 1.274 -12.643 1.00 0.00 S ATOM 0 H CYS A 310 10.784 -1.459 -12.193 1.00 0.00 H new ATOM 0 HA CYS A 310 8.800 -0.918 -14.314 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.137 0.569 -13.041 1.00 0.00 H new ATOM 0 HB3 CYS A 310 10.388 1.163 -14.510 1.00 0.00 H new ATOM 490 N GLY A 311 11.872 -1.891 -14.894 1.00 0.00 N ATOM 491 CA GLY A 311 12.775 -2.344 -15.990 1.00 0.00 C ATOM 492 C GLY A 311 12.009 -3.268 -16.938 1.00 0.00 C ATOM 493 O GLY A 311 11.562 -4.332 -16.557 1.00 0.00 O ATOM 0 H GLY A 311 12.217 -2.061 -13.949 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.160 -1.483 -16.537 1.00 0.00 H new ATOM 0 HA3 GLY A 311 13.636 -2.867 -15.573 1.00 0.00 H new ATOM 928 N GLY B 593 -5.956 6.486 -0.561 1.00 0.00 N ATOM 929 CA GLY B 593 -5.421 6.015 -1.873 1.00 0.00 C ATOM 930 C GLY B 593 -4.366 7.001 -2.373 1.00 0.00 C ATOM 931 O GLY B 593 -4.255 7.261 -3.556 1.00 0.00 O ATOM 0 HA2 GLY B 593 -4.985 5.022 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.230 5.931 -2.599 1.00 0.00 H new ATOM 935 N SER B 594 -3.590 7.559 -1.484 1.00 0.00 N ATOM 936 CA SER B 594 -2.547 8.533 -1.914 1.00 0.00 C ATOM 937 C SER B 594 -1.322 7.794 -2.438 1.00 0.00 C ATOM 938 O SER B 594 -1.147 6.609 -2.226 1.00 0.00 O ATOM 939 CB SER B 594 -2.120 9.410 -0.742 1.00 0.00 C ATOM 940 OG SER B 594 -3.200 10.254 -0.364 1.00 0.00 O ATOM 0 H SER B 594 -3.633 7.383 -0.480 1.00 0.00 H new ATOM 0 HA SER B 594 -2.971 9.155 -2.702 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.818 8.788 0.101 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.255 10.011 -1.020 1.00 0.00 H new ATOM 0 HG SER B 594 -2.927 10.817 0.390 1.00 0.00 H new ATOM 946 N LEU B 595 -0.470 8.500 -3.118 1.00 0.00 N ATOM 947 CA LEU B 595 0.765 7.887 -3.673 1.00 0.00 C ATOM 948 C LEU B 595 1.878 8.001 -2.635 1.00 0.00 C ATOM 949 O LEU B 595 2.260 9.089 -2.252 1.00 0.00 O ATOM 950 CB LEU B 595 1.162 8.662 -4.928 1.00 0.00 C ATOM 951 CG LEU B 595 0.288 8.230 -6.108 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.189 8.317 -5.716 1.00 0.00 C ATOM 953 CD2 LEU B 595 0.553 9.156 -7.297 1.00 0.00 C ATOM 0 H LEU B 595 -0.578 9.495 -3.317 1.00 0.00 H new ATOM 0 HA LEU B 595 0.598 6.838 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU B 595 1.051 9.732 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU B 595 2.212 8.484 -5.158 1.00 0.00 H new ATOM 0 HG LEU B 595 0.528 7.202 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -1.808 8.009 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -1.379 7.661 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.433 9.344 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -0.067 8.852 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU B 595 0.311 10.182 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU B 595 1.604 9.094 -7.579 1.00 0.00 H new ATOM 965 N LEU B 596 2.402 6.890 -2.172 1.00 0.00 N ATOM 966 CA LEU B 596 3.499 6.932 -1.150 1.00 0.00 C ATOM 967 C LEU B 596 4.698 6.118 -1.655 1.00 0.00 C ATOM 968 O LEU B 596 4.551 5.158 -2.385 1.00 0.00 O ATOM 969 CB LEU B 596 2.991 6.352 0.186 1.00 0.00 C ATOM 970 CG LEU B 596 1.523 6.809 0.467 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.545 5.652 0.221 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.382 7.263 1.928 1.00 0.00 C ATOM 0 H LEU B 596 2.117 5.953 -2.458 1.00 0.00 H new ATOM 0 HA LEU B 596 3.808 7.965 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU B 596 3.038 5.263 0.156 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.640 6.677 0.999 1.00 0.00 H new ATOM 0 HG LEU B 596 1.292 7.635 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.473 5.987 0.421 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.622 5.325 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.790 4.821 0.883 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.356 7.579 2.113 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.632 6.435 2.592 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.058 8.097 2.117 1.00 0.00 H new ATOM 984 N ARG B 597 5.885 6.512 -1.278 1.00 0.00 N ATOM 985 CA ARG B 597 7.111 5.790 -1.735 1.00 0.00 C ATOM 986 C ARG B 597 7.252 4.444 -1.010 1.00 0.00 C ATOM 987 O ARG B 597 6.373 4.000 -0.300 1.00 0.00 O ATOM 988 CB ARG B 597 8.346 6.664 -1.466 1.00 0.00 C ATOM 989 CG ARG B 597 8.520 7.685 -2.598 1.00 0.00 C ATOM 990 CD ARG B 597 7.221 8.472 -2.794 1.00 0.00 C ATOM 991 NE ARG B 597 6.744 8.988 -1.481 1.00 0.00 N ATOM 992 CZ ARG B 597 5.839 9.928 -1.441 1.00 0.00 C ATOM 993 NH1 ARG B 597 5.350 10.410 -2.550 1.00 0.00 N ATOM 994 NH2 ARG B 597 5.422 10.384 -0.291 1.00 0.00 N ATOM 0 H ARG B 597 6.060 7.310 -0.668 1.00 0.00 H new ATOM 0 HA ARG B 597 7.027 5.594 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.236 7.180 -0.512 1.00 0.00 H new ATOM 0 HB3 ARG B 597 9.235 6.038 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG B 597 9.337 8.367 -2.362 1.00 0.00 H new ATOM 0 HG3 ARG B 597 8.789 7.174 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG B 597 7.387 9.300 -3.483 1.00 0.00 H new ATOM 0 HD3 ARG B 597 6.461 7.832 -3.242 1.00 0.00 H new ATOM 0 HE ARG B 597 7.124 8.608 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG B 597 5.675 10.052 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG B 597 4.643 11.144 -2.519 1.00 0.00 H new ATOM 0 HH21 ARG B 597 5.803 10.006 0.576 1.00 0.00 H new ATOM 0 HH22 ARG B 597 4.715 11.118 -0.260 1.00 0.00 H new ATOM 1008 N CYS B 598 8.358 3.782 -1.238 1.00 0.00 N ATOM 1009 CA CYS B 598 8.600 2.437 -0.634 1.00 0.00 C ATOM 1010 C CYS B 598 8.860 2.530 0.874 1.00 0.00 C ATOM 1011 O CYS B 598 7.957 2.405 1.677 1.00 0.00 O ATOM 1012 CB CYS B 598 9.822 1.813 -1.320 1.00 0.00 C ATOM 1013 SG CYS B 598 11.117 3.066 -1.500 1.00 0.00 S ATOM 0 H CYS B 598 9.117 4.124 -1.828 1.00 0.00 H new ATOM 0 HA CYS B 598 7.711 1.824 -0.780 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.193 0.973 -0.733 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.543 1.420 -2.298 1.00 0.00 H new ATOM 1018 N SER B 599 10.096 2.711 1.260 1.00 0.00 N ATOM 1019 CA SER B 599 10.439 2.772 2.713 1.00 0.00 C ATOM 1020 C SER B 599 9.415 3.619 3.467 1.00 0.00 C ATOM 1021 O SER B 599 9.187 3.436 4.656 1.00 0.00 O ATOM 1022 CB SER B 599 11.827 3.392 2.877 1.00 0.00 C ATOM 1023 OG SER B 599 12.035 3.724 4.243 1.00 0.00 O ATOM 0 H SER B 599 10.888 2.820 0.627 1.00 0.00 H new ATOM 0 HA SER B 599 10.430 1.762 3.122 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.592 2.693 2.540 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.915 4.284 2.257 1.00 0.00 H new ATOM 0 HG SER B 599 12.925 4.120 4.352 1.00 0.00 H new ATOM 1029 N GLU B 600 8.784 4.547 2.807 1.00 0.00 N ATOM 1030 CA GLU B 600 7.793 5.373 3.533 1.00 0.00 C ATOM 1031 C GLU B 600 6.768 4.434 4.154 1.00 0.00 C ATOM 1032 O GLU B 600 6.113 4.759 5.128 1.00 0.00 O ATOM 1033 CB GLU B 600 7.104 6.348 2.579 1.00 0.00 C ATOM 1034 CG GLU B 600 8.033 7.527 2.283 1.00 0.00 C ATOM 1035 CD GLU B 600 7.278 8.581 1.472 1.00 0.00 C ATOM 1036 OE1 GLU B 600 6.309 8.220 0.825 1.00 0.00 O ATOM 1037 OE2 GLU B 600 7.680 9.732 1.511 1.00 0.00 O ATOM 0 H GLU B 600 8.909 4.764 1.818 1.00 0.00 H new ATOM 0 HA GLU B 600 8.290 5.960 4.306 1.00 0.00 H new ATOM 0 HB2 GLU B 600 6.841 5.839 1.652 1.00 0.00 H new ATOM 0 HB3 GLU B 600 6.174 6.707 3.020 1.00 0.00 H new ATOM 0 HG2 GLU B 600 8.395 7.961 3.215 1.00 0.00 H new ATOM 0 HG3 GLU B 600 8.907 7.185 1.730 1.00 0.00 H new ATOM 1044 N ILE B 601 6.630 3.250 3.611 1.00 0.00 N ATOM 1045 CA ILE B 601 5.654 2.308 4.199 1.00 0.00 C ATOM 1046 C ILE B 601 6.256 1.817 5.513 1.00 0.00 C ATOM 1047 O ILE B 601 5.577 1.607 6.489 1.00 0.00 O ATOM 1048 CB ILE B 601 5.393 1.134 3.213 1.00 0.00 C ATOM 1049 CG1 ILE B 601 4.105 1.410 2.418 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.211 -0.194 3.960 1.00 0.00 C ATOM 1051 CD1 ILE B 601 4.316 2.598 1.478 1.00 0.00 C ATOM 0 H ILE B 601 7.145 2.907 2.800 1.00 0.00 H new ATOM 0 HA ILE B 601 4.692 2.785 4.385 1.00 0.00 H new ATOM 0 HB ILE B 601 6.256 1.059 2.551 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.826 0.527 1.844 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.283 1.619 3.102 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.030 -0.994 3.242 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.112 -0.416 4.532 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.361 -0.117 4.638 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.400 2.787 0.919 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.574 3.482 2.061 1.00 0.00 H new ATOM 0 HD13 ILE B 601 5.125 2.373 0.783 1.00 0.00 H new ATOM 1063 N TRP B 602 7.562 1.646 5.531 1.00 0.00 N ATOM 1064 CA TRP B 602 8.245 1.193 6.776 1.00 0.00 C ATOM 1065 C TRP B 602 7.692 2.034 7.916 1.00 0.00 C ATOM 1066 O TRP B 602 7.485 1.569 9.018 1.00 0.00 O ATOM 1067 CB TRP B 602 9.757 1.417 6.643 1.00 0.00 C ATOM 1068 CG TRP B 602 10.480 0.621 7.683 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.143 1.143 8.741 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.623 -0.825 7.782 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.685 0.109 9.482 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.392 -1.123 8.932 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.166 -1.895 6.994 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 11.697 -2.439 9.287 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 10.470 -3.220 7.347 1.00 0.00 C ATOM 1076 CH2 TRP B 602 11.234 -3.490 8.492 1.00 0.00 C ATOM 0 H TRP B 602 8.178 1.803 4.733 1.00 0.00 H new ATOM 0 HA TRP B 602 8.072 0.132 6.958 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.092 1.122 5.648 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.988 2.476 6.756 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.234 2.195 8.969 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.234 0.240 10.331 1.00 0.00 H new ATOM 0 HE3 TRP B 602 9.577 -1.697 6.111 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.286 -2.642 10.169 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 10.114 -4.035 6.734 1.00 0.00 H new ATOM 0 HH2 TRP B 602 11.464 -4.511 8.759 1.00 0.00 H new ATOM 1087 N ASP B 603 7.405 3.271 7.620 1.00 0.00 N ATOM 1088 CA ASP B 603 6.808 4.160 8.650 1.00 0.00 C ATOM 1089 C ASP B 603 5.378 3.676 8.920 1.00 0.00 C ATOM 1090 O ASP B 603 4.924 3.650 10.046 1.00 0.00 O ATOM 1091 CB ASP B 603 6.782 5.601 8.134 1.00 0.00 C ATOM 1092 CG ASP B 603 6.529 6.559 9.299 1.00 0.00 C ATOM 1093 OD1 ASP B 603 5.408 6.596 9.777 1.00 0.00 O ATOM 1094 OD2 ASP B 603 7.462 7.240 9.693 1.00 0.00 O ATOM 0 H ASP B 603 7.559 3.703 6.709 1.00 0.00 H new ATOM 0 HA ASP B 603 7.396 4.131 9.567 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.729 5.842 7.651 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.002 5.714 7.381 1.00 0.00 H new ATOM 1099 N ARG B 604 4.669 3.275 7.889 1.00 0.00 N ATOM 1100 CA ARG B 604 3.274 2.772 8.088 1.00 0.00 C ATOM 1101 C ARG B 604 3.293 1.581 9.058 1.00 0.00 C ATOM 1102 O ARG B 604 2.333 1.317 9.755 1.00 0.00 O ATOM 1103 CB ARG B 604 2.668 2.316 6.750 1.00 0.00 C ATOM 1104 CG ARG B 604 2.524 3.514 5.793 1.00 0.00 C ATOM 1105 CD ARG B 604 1.247 4.311 6.109 1.00 0.00 C ATOM 1106 NE ARG B 604 0.069 3.399 6.126 1.00 0.00 N ATOM 1107 CZ ARG B 604 -1.047 3.787 6.682 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -1.129 4.970 7.226 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -2.081 2.990 6.696 1.00 0.00 N ATOM 0 H ARG B 604 4.996 3.275 6.923 1.00 0.00 H new ATOM 0 HA ARG B 604 2.668 3.581 8.497 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.302 1.554 6.297 1.00 0.00 H new ATOM 0 HB3 ARG B 604 1.693 1.859 6.921 1.00 0.00 H new ATOM 0 HG2 ARG B 604 3.395 4.163 5.881 1.00 0.00 H new ATOM 0 HG3 ARG B 604 2.493 3.161 4.762 1.00 0.00 H new ATOM 0 HD2 ARG B 604 1.347 4.807 7.074 1.00 0.00 H new ATOM 0 HD3 ARG B 604 1.102 5.092 5.363 1.00 0.00 H new ATOM 0 HE ARG B 604 0.134 2.473 5.704 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.321 5.593 7.217 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -2.001 5.272 7.660 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -2.017 2.064 6.273 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -2.953 3.293 7.130 1.00 0.00 H new ATOM 1123 N ILE B 605 4.381 0.853 9.094 1.00 0.00 N ATOM 1124 CA ILE B 605 4.483 -0.337 9.996 1.00 0.00 C ATOM 1125 C ILE B 605 4.956 0.090 11.396 1.00 0.00 C ATOM 1126 O ILE B 605 4.429 -0.353 12.396 1.00 0.00 O ATOM 1127 CB ILE B 605 5.495 -1.343 9.392 1.00 0.00 C ATOM 1128 CG1 ILE B 605 4.827 -2.158 8.273 1.00 0.00 C ATOM 1129 CG2 ILE B 605 5.999 -2.320 10.468 1.00 0.00 C ATOM 1130 CD1 ILE B 605 4.553 -1.266 7.063 1.00 0.00 C ATOM 0 H ILE B 605 5.212 1.034 8.531 1.00 0.00 H new ATOM 0 HA ILE B 605 3.502 -0.803 10.087 1.00 0.00 H new ATOM 0 HB ILE B 605 6.334 -0.773 8.993 1.00 0.00 H new ATOM 0 HG12 ILE B 605 5.471 -2.988 7.984 1.00 0.00 H new ATOM 0 HG13 ILE B 605 3.894 -2.590 8.635 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.708 -3.018 10.023 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.491 -1.762 11.265 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.156 -2.874 10.880 1.00 0.00 H new ATOM 0 HD11 ILE B 605 4.080 -1.854 6.277 1.00 0.00 H new ATOM 0 HD12 ILE B 605 3.891 -0.451 7.355 1.00 0.00 H new ATOM 0 HD13 ILE B 605 5.493 -0.856 6.693 1.00 0.00 H new ATOM 1142 N THR B 606 5.954 0.922 11.479 1.00 0.00 N ATOM 1143 CA THR B 606 6.457 1.337 12.820 1.00 0.00 C ATOM 1144 C THR B 606 5.301 1.851 13.682 1.00 0.00 C ATOM 1145 O THR B 606 5.273 1.648 14.879 1.00 0.00 O ATOM 1146 CB THR B 606 7.508 2.436 12.656 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.969 3.495 11.879 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.744 1.864 11.960 1.00 0.00 C ATOM 0 H THR B 606 6.442 1.332 10.683 1.00 0.00 H new ATOM 0 HA THR B 606 6.907 0.475 13.313 1.00 0.00 H new ATOM 0 HB THR B 606 7.792 2.816 13.637 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.138 3.198 11.454 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.492 2.648 11.844 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.158 1.054 12.561 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.464 1.481 10.978 1.00 0.00 H new ATOM 1267 N ILE B 614 2.654 -9.578 10.776 1.00 0.00 N ATOM 1268 CA ILE B 614 2.258 -8.936 9.485 1.00 0.00 C ATOM 1269 C ILE B 614 2.924 -9.639 8.289 1.00 0.00 C ATOM 1270 O ILE B 614 2.707 -9.269 7.152 1.00 0.00 O ATOM 1271 CB ILE B 614 2.657 -7.452 9.503 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.079 -6.789 10.761 1.00 0.00 C ATOM 1273 CG2 ILE B 614 2.105 -6.749 8.250 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.636 -5.368 10.900 1.00 0.00 C ATOM 0 HA ILE B 614 1.177 -9.026 9.374 1.00 0.00 H new ATOM 0 HB ILE B 614 3.744 -7.368 9.510 1.00 0.00 H new ATOM 0 HG12 ILE B 614 0.991 -6.759 10.700 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.333 -7.377 11.643 1.00 0.00 H new ATOM 0 HG21 ILE B 614 2.390 -5.697 8.267 1.00 0.00 H new ATOM 0 HG22 ILE B 614 2.515 -7.222 7.357 1.00 0.00 H new ATOM 0 HG23 ILE B 614 1.018 -6.830 8.237 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.223 -4.901 11.794 1.00 0.00 H new ATOM 0 HD12 ILE B 614 3.722 -5.409 10.981 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.359 -4.781 10.024 1.00 0.00 H new ATOM 1286 N ASP B 615 3.726 -10.647 8.514 1.00 0.00 N ATOM 1287 CA ASP B 615 4.377 -11.336 7.368 1.00 0.00 C ATOM 1288 C ASP B 615 5.117 -10.303 6.523 1.00 0.00 C ATOM 1289 O ASP B 615 4.580 -9.753 5.582 1.00 0.00 O ATOM 1290 CB ASP B 615 3.313 -12.029 6.513 1.00 0.00 C ATOM 1291 CG ASP B 615 3.989 -13.009 5.553 1.00 0.00 C ATOM 1292 OD1 ASP B 615 5.170 -12.834 5.294 1.00 0.00 O ATOM 1293 OD2 ASP B 615 3.318 -13.917 5.093 1.00 0.00 O ATOM 0 H ASP B 615 3.955 -11.019 9.436 1.00 0.00 H new ATOM 0 HA ASP B 615 5.080 -12.082 7.739 1.00 0.00 H new ATOM 0 HB2 ASP B 615 2.606 -12.558 7.152 1.00 0.00 H new ATOM 0 HB3 ASP B 615 2.743 -11.288 5.952 1.00 0.00 H new ATOM 1298 N VAL B 616 6.351 -10.036 6.849 1.00 0.00 N ATOM 1299 CA VAL B 616 7.126 -9.041 6.061 1.00 0.00 C ATOM 1300 C VAL B 616 7.475 -9.648 4.705 1.00 0.00 C ATOM 1301 O VAL B 616 7.669 -8.951 3.728 1.00 0.00 O ATOM 1302 CB VAL B 616 8.412 -8.685 6.808 1.00 0.00 C ATOM 1303 CG1 VAL B 616 8.064 -7.985 8.122 1.00 0.00 C ATOM 1304 CG2 VAL B 616 9.199 -9.963 7.105 1.00 0.00 C ATOM 0 H VAL B 616 6.855 -10.464 7.626 1.00 0.00 H new ATOM 0 HA VAL B 616 6.532 -8.138 5.920 1.00 0.00 H new ATOM 0 HB VAL B 616 9.016 -8.019 6.192 1.00 0.00 H new ATOM 0 HG11 VAL B 616 8.981 -7.732 8.653 1.00 0.00 H new ATOM 0 HG12 VAL B 616 7.503 -7.074 7.912 1.00 0.00 H new ATOM 0 HG13 VAL B 616 7.459 -8.649 8.739 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.116 -9.710 7.637 1.00 0.00 H new ATOM 0 HG22 VAL B 616 8.594 -10.628 7.721 1.00 0.00 H new ATOM 0 HG23 VAL B 616 9.449 -10.462 6.169 1.00 0.00 H new ATOM 1314 N ASP B 617 7.560 -10.946 4.641 1.00 0.00 N ATOM 1315 CA ASP B 617 7.908 -11.605 3.351 1.00 0.00 C ATOM 1316 C ASP B 617 6.696 -11.606 2.417 1.00 0.00 C ATOM 1317 O ASP B 617 6.818 -11.392 1.228 1.00 0.00 O ATOM 1318 CB ASP B 617 8.340 -13.048 3.620 1.00 0.00 C ATOM 1319 CG ASP B 617 9.592 -13.052 4.498 1.00 0.00 C ATOM 1320 OD1 ASP B 617 10.467 -12.239 4.250 1.00 0.00 O ATOM 1321 OD2 ASP B 617 9.654 -13.867 5.404 1.00 0.00 O ATOM 0 H ASP B 617 7.404 -11.580 5.425 1.00 0.00 H new ATOM 0 HA ASP B 617 8.722 -11.056 2.879 1.00 0.00 H new ATOM 0 HB2 ASP B 617 7.536 -13.593 4.113 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.542 -13.560 2.679 1.00 0.00 H new ATOM 1326 N GLY B 618 5.527 -11.846 2.940 1.00 0.00 N ATOM 1327 CA GLY B 618 4.321 -11.864 2.068 1.00 0.00 C ATOM 1328 C GLY B 618 3.992 -10.448 1.600 1.00 0.00 C ATOM 1329 O GLY B 618 3.726 -10.216 0.436 1.00 0.00 O ATOM 0 H GLY B 618 5.355 -12.030 3.928 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.495 -12.509 1.207 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.474 -12.281 2.613 1.00 0.00 H new ATOM 1333 N LEU B 619 4.000 -9.491 2.488 1.00 0.00 N ATOM 1334 CA LEU B 619 3.677 -8.109 2.049 1.00 0.00 C ATOM 1335 C LEU B 619 4.773 -7.633 1.092 1.00 0.00 C ATOM 1336 O LEU B 619 4.587 -6.707 0.329 1.00 0.00 O ATOM 1337 CB LEU B 619 3.553 -7.173 3.266 1.00 0.00 C ATOM 1338 CG LEU B 619 4.949 -6.747 3.783 1.00 0.00 C ATOM 1339 CD1 LEU B 619 5.552 -5.602 2.920 1.00 0.00 C ATOM 1340 CD2 LEU B 619 4.820 -6.288 5.245 1.00 0.00 C ATOM 0 H LEU B 619 4.212 -9.604 3.479 1.00 0.00 H new ATOM 0 HA LEU B 619 2.718 -8.096 1.531 1.00 0.00 H new ATOM 0 HB2 LEU B 619 2.977 -6.289 2.992 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.004 -7.676 4.062 1.00 0.00 H new ATOM 0 HG LEU B 619 5.622 -7.602 3.713 1.00 0.00 H new ATOM 0 HD11 LEU B 619 6.532 -5.328 3.312 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.655 -5.939 1.889 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.893 -4.735 2.954 1.00 0.00 H new ATOM 0 HD21 LEU B 619 5.798 -5.986 5.619 1.00 0.00 H new ATOM 0 HD22 LEU B 619 4.133 -5.444 5.302 1.00 0.00 H new ATOM 0 HD23 LEU B 619 4.437 -7.109 5.852 1.00 0.00 H new ATOM 1352 N CYS B 620 5.921 -8.266 1.133 1.00 0.00 N ATOM 1353 CA CYS B 620 7.031 -7.853 0.230 1.00 0.00 C ATOM 1354 C CYS B 620 6.707 -8.262 -1.207 1.00 0.00 C ATOM 1355 O CYS B 620 6.797 -7.464 -2.114 1.00 0.00 O ATOM 1356 CB CYS B 620 8.332 -8.527 0.673 1.00 0.00 C ATOM 1357 SG CYS B 620 9.672 -8.038 -0.441 1.00 0.00 S ATOM 0 H CYS B 620 6.133 -9.048 1.752 1.00 0.00 H new ATOM 0 HA CYS B 620 7.149 -6.770 0.279 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.573 -8.241 1.697 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.214 -9.611 0.664 1.00 0.00 H new ATOM 0 HG CYS B 620 10.778 -8.608 -0.065 1.00 0.00 H new ATOM 1363 N SER B 621 6.315 -9.489 -1.430 1.00 0.00 N ATOM 1364 CA SER B 621 5.980 -9.908 -2.824 1.00 0.00 C ATOM 1365 C SER B 621 4.602 -9.353 -3.185 1.00 0.00 C ATOM 1366 O SER B 621 4.146 -9.475 -4.304 1.00 0.00 O ATOM 1367 CB SER B 621 6.002 -11.431 -2.953 1.00 0.00 C ATOM 1368 OG SER B 621 4.951 -11.983 -2.171 1.00 0.00 O ATOM 0 H SER B 621 6.213 -10.212 -0.717 1.00 0.00 H new ATOM 0 HA SER B 621 6.725 -9.511 -3.513 1.00 0.00 H new ATOM 0 HB2 SER B 621 5.885 -11.721 -3.997 1.00 0.00 H new ATOM 0 HB3 SER B 621 6.963 -11.822 -2.619 1.00 0.00 H new ATOM 0 HG SER B 621 4.961 -12.960 -2.252 1.00 0.00 H new ATOM 1374 N GLU B 622 3.966 -8.687 -2.262 1.00 0.00 N ATOM 1375 CA GLU B 622 2.650 -8.051 -2.551 1.00 0.00 C ATOM 1376 C GLU B 622 2.893 -6.556 -2.796 1.00 0.00 C ATOM 1377 O GLU B 622 2.605 -6.037 -3.854 1.00 0.00 O ATOM 1378 CB GLU B 622 1.712 -8.230 -1.350 1.00 0.00 C ATOM 1379 CG GLU B 622 0.264 -7.965 -1.776 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.673 -8.248 -0.601 1.00 0.00 C ATOM 1381 OE1 GLU B 622 -0.290 -9.017 0.265 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -1.759 -7.691 -0.587 1.00 0.00 O ATOM 0 H GLU B 622 4.306 -8.555 -1.309 1.00 0.00 H new ATOM 0 HA GLU B 622 2.190 -8.512 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU B 622 1.804 -9.241 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU B 622 1.996 -7.546 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.153 -6.931 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU B 622 0.002 -8.597 -2.624 1.00 0.00 H new ATOM 1389 N LEU B 623 3.426 -5.862 -1.827 1.00 0.00 N ATOM 1390 CA LEU B 623 3.690 -4.404 -2.008 1.00 0.00 C ATOM 1391 C LEU B 623 4.685 -4.192 -3.161 1.00 0.00 C ATOM 1392 O LEU B 623 4.656 -3.187 -3.844 1.00 0.00 O ATOM 1393 CB LEU B 623 4.291 -3.834 -0.706 1.00 0.00 C ATOM 1394 CG LEU B 623 4.085 -2.301 -0.643 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.727 -1.975 -0.007 1.00 0.00 C ATOM 1396 CD2 LEU B 623 5.191 -1.652 0.202 1.00 0.00 C ATOM 0 H LEU B 623 3.690 -6.241 -0.918 1.00 0.00 H new ATOM 0 HA LEU B 623 2.756 -3.894 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU B 623 3.821 -4.306 0.156 1.00 0.00 H new ATOM 0 HB3 LEU B 623 5.355 -4.067 -0.656 1.00 0.00 H new ATOM 0 HG LEU B 623 4.120 -1.910 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU B 623 2.594 -0.894 0.032 1.00 0.00 H new ATOM 0 HD12 LEU B 623 1.930 -2.418 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU B 623 2.692 -2.381 1.004 1.00 0.00 H new ATOM 0 HD21 LEU B 623 5.035 -0.574 0.239 1.00 0.00 H new ATOM 0 HD22 LEU B 623 5.162 -2.058 1.213 1.00 0.00 H new ATOM 0 HD23 LEU B 623 6.162 -1.863 -0.246 1.00 0.00 H new ATOM 1408 N MET B 624 5.594 -5.115 -3.348 1.00 0.00 N ATOM 1409 CA MET B 624 6.630 -4.957 -4.416 1.00 0.00 C ATOM 1410 C MET B 624 6.065 -5.208 -5.821 1.00 0.00 C ATOM 1411 O MET B 624 6.563 -4.656 -6.783 1.00 0.00 O ATOM 1412 CB MET B 624 7.772 -5.942 -4.152 1.00 0.00 C ATOM 1413 CG MET B 624 8.930 -5.652 -5.105 1.00 0.00 C ATOM 1414 SD MET B 624 10.295 -6.791 -4.760 1.00 0.00 S ATOM 1415 CE MET B 624 11.001 -6.810 -6.426 1.00 0.00 C ATOM 0 H MET B 624 5.664 -5.975 -2.805 1.00 0.00 H new ATOM 0 HA MET B 624 6.985 -3.927 -4.383 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.108 -5.856 -3.119 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.422 -6.965 -4.289 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.601 -5.764 -6.138 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.263 -4.621 -4.986 1.00 0.00 H new ATOM 0 HE1 MET B 624 12.081 -6.943 -6.362 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.567 -7.632 -6.996 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.781 -5.866 -6.925 1.00 0.00 H new ATOM 1425 N ALA B 625 5.045 -6.021 -5.968 1.00 0.00 N ATOM 1426 CA ALA B 625 4.481 -6.278 -7.343 1.00 0.00 C ATOM 1427 C ALA B 625 3.191 -5.483 -7.532 1.00 0.00 C ATOM 1428 O ALA B 625 2.775 -5.244 -8.648 1.00 0.00 O ATOM 1429 CB ALA B 625 4.232 -7.770 -7.555 1.00 0.00 C ATOM 0 H ALA B 625 4.579 -6.516 -5.207 1.00 0.00 H new ATOM 0 HA ALA B 625 5.207 -5.950 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.825 -7.933 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA B 625 5.171 -8.314 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.522 -8.130 -6.811 1.00 0.00 H new ATOM 1435 N LYS B 626 2.585 -5.002 -6.488 1.00 0.00 N ATOM 1436 CA LYS B 626 1.377 -4.156 -6.697 1.00 0.00 C ATOM 1437 C LYS B 626 1.911 -2.801 -7.180 1.00 0.00 C ATOM 1438 O LYS B 626 1.177 -1.891 -7.510 1.00 0.00 O ATOM 1439 CB LYS B 626 0.595 -4.007 -5.373 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.610 -4.962 -5.355 1.00 0.00 C ATOM 1441 CD LYS B 626 -0.123 -6.412 -5.368 1.00 0.00 C ATOM 1442 CE LYS B 626 -1.324 -7.355 -5.460 1.00 0.00 C ATOM 1443 NZ LYS B 626 -2.084 -7.072 -6.710 1.00 0.00 N ATOM 0 H LYS B 626 2.863 -5.151 -5.518 1.00 0.00 H new ATOM 0 HA LYS B 626 0.686 -4.591 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.251 -4.222 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.254 -2.978 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -1.216 -4.780 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -1.247 -4.775 -6.220 1.00 0.00 H new ATOM 0 HD2 LYS B 626 0.545 -6.574 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS B 626 0.449 -6.622 -4.464 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -0.987 -8.392 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -1.970 -7.224 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -2.354 -7.969 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -2.940 -6.529 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -1.489 -6.521 -7.361 1.00 0.00 H new ATOM 1457 N ALA B 627 3.216 -2.693 -7.201 1.00 0.00 N ATOM 1458 CA ALA B 627 3.905 -1.442 -7.632 1.00 0.00 C ATOM 1459 C ALA B 627 3.250 -0.833 -8.874 1.00 0.00 C ATOM 1460 O ALA B 627 2.956 -1.512 -9.838 1.00 0.00 O ATOM 1461 CB ALA B 627 5.369 -1.775 -7.947 1.00 0.00 C ATOM 0 H ALA B 627 3.849 -3.445 -6.928 1.00 0.00 H new ATOM 0 HA ALA B 627 3.833 -0.713 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.888 -0.870 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.851 -2.176 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.410 -2.516 -8.746 1.00 0.00 H new ATOM 1467 N LYS B 628 3.053 0.462 -8.858 1.00 0.00 N ATOM 1468 CA LYS B 628 2.457 1.171 -10.029 1.00 0.00 C ATOM 1469 C LYS B 628 3.576 1.965 -10.706 1.00 0.00 C ATOM 1470 O LYS B 628 3.875 3.083 -10.330 1.00 0.00 O ATOM 1471 CB LYS B 628 1.368 2.129 -9.544 1.00 0.00 C ATOM 1472 CG LYS B 628 0.609 2.694 -10.746 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.486 3.643 -10.256 1.00 0.00 C ATOM 1474 CE LYS B 628 -1.326 4.112 -11.444 1.00 0.00 C ATOM 1475 NZ LYS B 628 -2.451 4.957 -10.953 1.00 0.00 N ATOM 0 H LYS B 628 3.284 1.066 -8.069 1.00 0.00 H new ATOM 0 HA LYS B 628 2.014 0.461 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS B 628 0.680 1.607 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.813 2.940 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS B 628 1.295 3.223 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.169 1.883 -11.326 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -1.119 3.138 -9.526 1.00 0.00 H new ATOM 0 HD3 LYS B 628 -0.040 4.500 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -0.707 4.679 -12.139 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.714 3.253 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -3.023 5.277 -11.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -3.046 4.401 -10.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -2.070 5.784 -10.450 1.00 0.00 H new ATOM 1489 N CYS B 629 4.225 1.371 -11.667 1.00 0.00 N ATOM 1490 CA CYS B 629 5.364 2.054 -12.349 1.00 0.00 C ATOM 1491 C CYS B 629 4.935 3.384 -12.980 1.00 0.00 C ATOM 1492 O CYS B 629 4.069 3.455 -13.829 1.00 0.00 O ATOM 1493 CB CYS B 629 5.947 1.137 -13.425 1.00 0.00 C ATOM 1494 SG CYS B 629 7.504 1.836 -14.026 1.00 0.00 S ATOM 0 H CYS B 629 4.015 0.435 -12.013 1.00 0.00 H new ATOM 0 HA CYS B 629 6.121 2.271 -11.595 1.00 0.00 H new ATOM 0 HB2 CYS B 629 6.116 0.140 -13.017 1.00 0.00 H new ATOM 0 HB3 CYS B 629 5.241 1.029 -14.249 1.00 0.00 H new ATOM 1499 N SER B 630 5.595 4.432 -12.560 1.00 0.00 N ATOM 1500 CA SER B 630 5.333 5.804 -13.092 1.00 0.00 C ATOM 1501 C SER B 630 6.678 6.528 -13.181 1.00 0.00 C ATOM 1502 O SER B 630 7.636 6.123 -12.550 1.00 0.00 O ATOM 1503 CB SER B 630 4.403 6.558 -12.139 1.00 0.00 C ATOM 1504 OG SER B 630 4.156 7.857 -12.660 1.00 0.00 O ATOM 0 H SER B 630 6.326 4.392 -11.850 1.00 0.00 H new ATOM 0 HA SER B 630 4.858 5.753 -14.072 1.00 0.00 H new ATOM 0 HB2 SER B 630 3.465 6.015 -12.022 1.00 0.00 H new ATOM 0 HB3 SER B 630 4.856 6.629 -11.150 1.00 0.00 H new ATOM 0 HG SER B 630 3.559 8.344 -12.054 1.00 0.00 H new ATOM 1510 N GLU B 631 6.791 7.582 -13.948 1.00 0.00 N ATOM 1511 CA GLU B 631 8.111 8.274 -14.029 1.00 0.00 C ATOM 1512 C GLU B 631 8.453 8.869 -12.662 1.00 0.00 C ATOM 1513 O GLU B 631 9.605 9.099 -12.351 1.00 0.00 O ATOM 1514 CB GLU B 631 8.070 9.374 -15.094 1.00 0.00 C ATOM 1515 CG GLU B 631 7.509 8.804 -16.398 1.00 0.00 C ATOM 1516 CD GLU B 631 8.455 7.730 -16.937 1.00 0.00 C ATOM 1517 OE1 GLU B 631 9.412 8.091 -17.602 1.00 0.00 O ATOM 1518 OE2 GLU B 631 8.207 6.564 -16.677 1.00 0.00 O ATOM 0 H GLU B 631 6.043 7.987 -14.511 1.00 0.00 H new ATOM 0 HA GLU B 631 8.880 7.555 -14.311 1.00 0.00 H new ATOM 0 HB2 GLU B 631 7.451 10.203 -14.751 1.00 0.00 H new ATOM 0 HB3 GLU B 631 9.071 9.771 -15.260 1.00 0.00 H new ATOM 0 HG2 GLU B 631 6.520 8.379 -16.225 1.00 0.00 H new ATOM 0 HG3 GLU B 631 7.390 9.600 -17.133 1.00 0.00 H new ATOM 1525 N ARG B 632 7.479 9.078 -11.823 1.00 0.00 N ATOM 1526 CA ARG B 632 7.778 9.608 -10.460 1.00 0.00 C ATOM 1527 C ARG B 632 8.263 8.428 -9.612 1.00 0.00 C ATOM 1528 O ARG B 632 8.000 8.337 -8.429 1.00 0.00 O ATOM 1529 CB ARG B 632 6.506 10.207 -9.846 1.00 0.00 C ATOM 1530 CG ARG B 632 6.014 11.393 -10.696 1.00 0.00 C ATOM 1531 CD ARG B 632 6.749 12.677 -10.290 1.00 0.00 C ATOM 1532 NE ARG B 632 6.503 12.952 -8.846 1.00 0.00 N ATOM 1533 CZ ARG B 632 7.248 13.816 -8.210 1.00 0.00 C ATOM 1534 NH1 ARG B 632 8.212 14.432 -8.837 1.00 0.00 N ATOM 1535 NH2 ARG B 632 7.031 14.061 -6.947 1.00 0.00 N ATOM 0 H ARG B 632 6.493 8.907 -12.018 1.00 0.00 H new ATOM 0 HA ARG B 632 8.536 10.390 -10.503 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.729 9.445 -9.786 1.00 0.00 H new ATOM 0 HB3 ARG B 632 6.706 10.538 -8.827 1.00 0.00 H new ATOM 0 HG2 ARG B 632 6.183 11.187 -11.753 1.00 0.00 H new ATOM 0 HG3 ARG B 632 4.940 11.523 -10.565 1.00 0.00 H new ATOM 0 HD2 ARG B 632 7.818 12.571 -10.475 1.00 0.00 H new ATOM 0 HD3 ARG B 632 6.402 13.515 -10.895 1.00 0.00 H new ATOM 0 HE ARG B 632 5.753 12.466 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG B 632 8.384 14.239 -9.824 1.00 0.00 H new ATOM 0 HH12 ARG B 632 8.794 15.107 -8.341 1.00 0.00 H new ATOM 0 HH21 ARG B 632 6.279 13.578 -6.456 1.00 0.00 H new ATOM 0 HH22 ARG B 632 7.613 14.736 -6.451 1.00 0.00 H new ATOM 1549 N GLY B 633 8.944 7.510 -10.243 1.00 0.00 N ATOM 1550 CA GLY B 633 9.431 6.299 -9.523 1.00 0.00 C ATOM 1551 C GLY B 633 8.218 5.416 -9.249 1.00 0.00 C ATOM 1552 O GLY B 633 7.152 5.653 -9.783 1.00 0.00 O ATOM 0 H GLY B 633 9.185 7.548 -11.233 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.167 5.765 -10.124 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.922 6.578 -8.591 1.00 0.00 H new ATOM 1556 N VAL B 634 8.332 4.409 -8.429 1.00 0.00 N ATOM 1557 CA VAL B 634 7.153 3.551 -8.150 1.00 0.00 C ATOM 1558 C VAL B 634 6.236 4.253 -7.152 1.00 0.00 C ATOM 1559 O VAL B 634 6.696 4.976 -6.289 1.00 0.00 O ATOM 1560 CB VAL B 634 7.642 2.246 -7.516 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.395 2.554 -6.219 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.438 1.357 -7.201 1.00 0.00 C ATOM 0 H VAL B 634 9.189 4.145 -7.942 1.00 0.00 H new ATOM 0 HA VAL B 634 6.613 3.356 -9.077 1.00 0.00 H new ATOM 0 HB VAL B 634 8.309 1.734 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.742 1.623 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.251 3.192 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.729 3.066 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.781 0.426 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.775 1.874 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL B 634 5.898 1.136 -8.122 1.00 0.00 H new ATOM 1572 N VAL B 635 4.950 4.029 -7.231 1.00 0.00 N ATOM 1573 CA VAL B 635 4.015 4.666 -6.250 1.00 0.00 C ATOM 1574 C VAL B 635 2.950 3.642 -5.859 1.00 0.00 C ATOM 1575 O VAL B 635 2.451 2.906 -6.687 1.00 0.00 O ATOM 1576 CB VAL B 635 3.360 5.902 -6.867 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.440 6.915 -7.252 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.576 5.492 -8.116 1.00 0.00 C ATOM 0 H VAL B 635 4.505 3.434 -7.930 1.00 0.00 H new ATOM 0 HA VAL B 635 4.567 4.982 -5.365 1.00 0.00 H new ATOM 0 HB VAL B 635 2.682 6.354 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.972 7.796 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.999 7.207 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.119 6.465 -7.976 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.108 6.372 -8.557 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.255 5.040 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.806 4.771 -7.842 1.00 0.00 H new ATOM 1588 N ILE B 636 2.612 3.584 -4.594 1.00 0.00 N ATOM 1589 CA ILE B 636 1.590 2.602 -4.112 1.00 0.00 C ATOM 1590 C ILE B 636 0.360 3.354 -3.601 1.00 0.00 C ATOM 1591 O ILE B 636 0.479 4.333 -2.894 1.00 0.00 O ATOM 1592 CB ILE B 636 2.181 1.796 -2.945 1.00 0.00 C ATOM 1593 CG1 ILE B 636 3.601 1.322 -3.289 1.00 0.00 C ATOM 1594 CG2 ILE B 636 1.286 0.591 -2.644 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.596 0.482 -4.570 1.00 0.00 C ATOM 0 H ILE B 636 3.005 4.182 -3.867 1.00 0.00 H new ATOM 0 HA ILE B 636 1.310 1.940 -4.932 1.00 0.00 H new ATOM 0 HB ILE B 636 2.231 2.436 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE B 636 4.257 2.184 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE B 636 4.003 0.734 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.708 0.022 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE B 636 0.288 0.937 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE B 636 1.223 -0.045 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.611 0.156 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE B 636 2.958 -0.391 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE B 636 3.215 1.082 -5.397 1.00 0.00 H new ATOM 1607 N ASN B 637 -0.823 2.901 -3.921 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.039 3.596 -3.407 1.00 0.00 C ATOM 1609 C ASN B 637 -2.319 3.074 -1.997 1.00 0.00 C ATOM 1610 O ASN B 637 -2.266 1.889 -1.737 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.235 3.320 -4.321 1.00 0.00 C ATOM 1612 CG ASN B 637 -2.923 3.818 -5.733 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -3.369 4.877 -6.128 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -2.172 3.094 -6.516 1.00 0.00 N ATOM 0 H ASN B 637 -0.999 2.087 -4.510 1.00 0.00 H new ATOM 0 HA ASN B 637 -1.876 4.673 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.453 2.252 -4.340 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.124 3.820 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -1.959 3.417 -7.460 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -1.798 2.205 -6.184 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.571 3.963 -1.077 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.807 3.544 0.333 1.00 0.00 C ATOM 1623 C ALA B 638 -3.767 2.350 0.394 1.00 0.00 C ATOM 1624 O ALA B 638 -3.898 1.703 1.414 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.401 4.717 1.113 1.00 0.00 C ATOM 0 H ALA B 638 -2.624 4.968 -1.242 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.856 3.244 0.773 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.576 4.416 2.146 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.706 5.557 1.092 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.345 5.016 0.658 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.458 2.065 -0.678 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.427 0.927 -0.664 1.00 0.00 C ATOM 1633 C GLU B 639 -4.721 -0.404 -0.949 1.00 0.00 C ATOM 1634 O GLU B 639 -5.210 -1.449 -0.570 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.515 1.167 -1.712 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.360 2.373 -1.301 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.254 2.792 -2.469 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -7.772 2.791 -3.589 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.406 3.110 -2.222 1.00 0.00 O ATOM 0 H GLU B 639 -4.394 2.570 -1.562 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.875 0.870 0.328 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.063 1.342 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -7.145 0.283 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.971 2.124 -0.433 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -6.714 3.201 -1.009 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.572 -0.402 -1.572 1.00 0.00 N ATOM 1647 CA ASP B 640 -2.876 -1.706 -1.816 1.00 0.00 C ATOM 1648 C ASP B 640 -2.080 -2.063 -0.560 1.00 0.00 C ATOM 1649 O ASP B 640 -2.103 -3.189 -0.103 1.00 0.00 O ATOM 1650 CB ASP B 640 -1.954 -1.608 -3.033 1.00 0.00 C ATOM 1651 CG ASP B 640 -2.792 -1.397 -4.295 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -3.783 -2.092 -4.447 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.428 -0.546 -5.089 1.00 0.00 O ATOM 0 H ASP B 640 -3.090 0.428 -1.918 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.608 -2.486 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -1.254 -0.782 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.360 -2.517 -3.126 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.421 -1.114 0.037 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.687 -1.413 1.297 1.00 0.00 C ATOM 1660 C VAL B 641 -1.713 -1.862 2.342 1.00 0.00 C ATOM 1661 O VAL B 641 -1.565 -2.895 2.963 1.00 0.00 O ATOM 1662 CB VAL B 641 0.045 -0.152 1.778 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.947 0.996 1.976 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.749 -0.446 3.101 1.00 0.00 C ATOM 0 H VAL B 641 -1.358 -0.150 -0.289 1.00 0.00 H new ATOM 0 HA VAL B 641 0.052 -2.198 1.137 1.00 0.00 H new ATOM 0 HB VAL B 641 0.778 0.139 1.025 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.413 1.883 2.317 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.445 1.213 1.031 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.690 0.711 2.721 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.269 0.449 3.443 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.012 -0.745 3.847 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.469 -1.252 2.959 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.754 -1.100 2.540 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.785 -1.496 3.542 1.00 0.00 C ATOM 1676 C GLN B 642 -4.251 -2.929 3.263 1.00 0.00 C ATOM 1677 O GLN B 642 -4.551 -3.679 4.172 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.979 -0.542 3.451 1.00 0.00 C ATOM 1679 CG GLN B 642 -4.616 0.797 4.096 1.00 0.00 C ATOM 1680 CD GLN B 642 -5.708 1.823 3.789 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -6.791 1.468 3.370 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -5.467 3.091 3.982 1.00 0.00 N ATOM 0 H GLN B 642 -2.935 -0.222 2.053 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.355 -1.445 4.542 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -5.258 -0.391 2.408 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.844 -0.976 3.953 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -4.508 0.676 5.174 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -3.656 1.147 3.717 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -4.557 3.389 4.334 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -6.188 3.784 3.781 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.301 -3.323 2.016 1.00 0.00 N ATOM 1692 CA LEU B 643 -4.734 -4.714 1.689 1.00 0.00 C ATOM 1693 C LEU B 643 -3.554 -5.671 1.880 1.00 0.00 C ATOM 1694 O LEU B 643 -3.738 -6.840 2.141 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.230 -4.783 0.234 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.685 -4.284 0.139 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.007 -3.919 -1.315 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.666 -5.376 0.604 1.00 0.00 C ATOM 0 H LEU B 643 -4.061 -2.743 1.212 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.549 -5.003 2.353 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -4.588 -4.176 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.166 -5.808 -0.131 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.792 -3.410 0.782 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.036 -3.566 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.331 -3.133 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -6.883 -4.798 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.688 -5.003 0.529 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -7.554 -6.258 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.452 -5.641 1.639 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.344 -5.202 1.764 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.177 -6.115 1.963 1.00 0.00 C ATOM 1712 C ALA B 644 -0.804 -6.158 3.449 1.00 0.00 C ATOM 1713 O ALA B 644 -0.297 -7.153 3.929 1.00 0.00 O ATOM 1714 CB ALA B 644 0.018 -5.633 1.137 1.00 0.00 C ATOM 0 H ALA B 644 -2.110 -4.234 1.542 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.449 -7.117 1.632 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.862 -6.306 1.290 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.250 -5.623 0.081 1.00 0.00 H new ATOM 0 HB3 ALA B 644 0.295 -4.627 1.451 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.048 -5.111 4.191 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.695 -5.145 5.646 1.00 0.00 C ATOM 1722 C LEU B 645 -1.872 -5.700 6.457 1.00 0.00 C ATOM 1723 O LEU B 645 -1.805 -6.781 7.007 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.377 -3.729 6.138 1.00 0.00 C ATOM 1725 CG LEU B 645 0.750 -3.098 5.307 1.00 0.00 C ATOM 1726 CD1 LEU B 645 1.152 -1.771 5.957 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.970 -4.031 5.264 1.00 0.00 C ATOM 0 H LEU B 645 -1.471 -4.243 3.861 1.00 0.00 H new ATOM 0 HA LEU B 645 0.177 -5.786 5.779 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.271 -3.109 6.075 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.085 -3.762 7.188 1.00 0.00 H new ATOM 0 HG LEU B 645 0.399 -2.933 4.288 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.952 -1.310 5.378 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.291 -1.103 5.982 1.00 0.00 H new ATOM 0 HD13 LEU B 645 1.499 -1.954 6.974 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.760 -3.570 4.671 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.331 -4.205 6.278 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.686 -4.981 4.812 1.00 0.00 H new ATOM 1739 N ASN B 646 -2.943 -4.957 6.549 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.118 -5.425 7.343 1.00 0.00 C ATOM 1741 C ASN B 646 -4.455 -6.876 6.992 1.00 0.00 C ATOM 1742 O ASN B 646 -5.190 -7.537 7.700 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.326 -4.538 7.034 1.00 0.00 C ATOM 1744 CG ASN B 646 -4.954 -3.069 7.251 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -4.295 -2.731 8.214 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -5.350 -2.174 6.387 1.00 0.00 N ATOM 0 H ASN B 646 -3.055 -4.044 6.108 1.00 0.00 H new ATOM 0 HA ASN B 646 -3.873 -5.364 8.403 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.650 -4.693 6.005 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.163 -4.810 7.676 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -5.106 -1.193 6.521 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -5.903 -2.456 5.578 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.938 -7.378 5.904 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.245 -8.787 5.510 1.00 0.00 C ATOM 1755 C LYS B 647 -3.221 -9.741 6.134 1.00 0.00 C ATOM 1756 O LYS B 647 -2.170 -9.336 6.587 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.207 -8.891 3.983 1.00 0.00 C ATOM 1758 CG LYS B 647 -4.561 -10.310 3.535 1.00 0.00 C ATOM 1759 CD LYS B 647 -4.753 -10.327 2.017 1.00 0.00 C ATOM 1760 CE LYS B 647 -5.306 -11.688 1.584 1.00 0.00 C ATOM 1761 NZ LYS B 647 -4.744 -12.754 2.460 1.00 0.00 N ATOM 0 H LYS B 647 -3.317 -6.876 5.270 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.236 -9.065 5.870 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -4.908 -8.180 3.546 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.215 -8.625 3.619 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -3.769 -11.002 3.821 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.472 -10.644 4.032 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -5.438 -9.533 1.718 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -3.803 -10.134 1.518 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -6.394 -11.687 1.647 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -5.047 -11.883 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -4.053 -13.316 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -4.275 -12.318 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -5.512 -13.373 2.790 1.00 0.00 H new ATOM 1775 N HIS B 648 -3.540 -11.006 6.164 1.00 0.00 N ATOM 1776 CA HIS B 648 -2.613 -12.013 6.760 1.00 0.00 C ATOM 1777 C HIS B 648 -2.480 -11.749 8.264 1.00 0.00 C ATOM 1778 O HIS B 648 -1.472 -12.055 8.870 1.00 0.00 O ATOM 1779 CB HIS B 648 -1.229 -11.919 6.100 1.00 0.00 C ATOM 1780 CG HIS B 648 -1.378 -11.644 4.628 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -1.752 -12.626 3.726 1.00 0.00 N ATOM 1782 CD2 HIS B 648 -1.189 -10.503 3.886 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -1.778 -12.065 2.503 1.00 0.00 C ATOM 1784 NE2 HIS B 648 -1.443 -10.773 2.543 1.00 0.00 N ATOM 0 H HIS B 648 -4.411 -11.390 5.798 1.00 0.00 H new ATOM 0 HA HIS B 648 -3.016 -13.012 6.592 1.00 0.00 H new ATOM 0 HB2 HIS B 648 -0.646 -11.126 6.569 1.00 0.00 H new ATOM 0 HB3 HIS B 648 -0.681 -12.849 6.251 1.00 0.00 H new ATOM 0 HD2 HIS B 648 -0.890 -9.544 4.283 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -2.038 -12.595 1.599 1.00 0.00 H new ATOM 0 HE2 HIS B 648 -1.385 -10.123 1.759 1.00 0.00 H new ATOM 1792 N MET B 649 -3.489 -11.180 8.870 1.00 0.00 N ATOM 1793 CA MET B 649 -3.425 -10.893 10.336 1.00 0.00 C ATOM 1794 C MET B 649 -4.098 -12.030 11.107 1.00 0.00 C ATOM 1795 O MET B 649 -5.150 -12.509 10.734 1.00 0.00 O ATOM 1796 CB MET B 649 -4.155 -9.579 10.629 1.00 0.00 C ATOM 1797 CG MET B 649 -3.437 -8.424 9.928 1.00 0.00 C ATOM 1798 SD MET B 649 -1.942 -7.990 10.855 1.00 0.00 S ATOM 1799 CE MET B 649 -1.926 -6.225 10.452 1.00 0.00 C ATOM 0 H MET B 649 -4.357 -10.901 8.413 1.00 0.00 H new ATOM 0 HA MET B 649 -2.383 -10.809 10.646 1.00 0.00 H new ATOM 0 HB2 MET B 649 -5.187 -9.641 10.285 1.00 0.00 H new ATOM 0 HB3 MET B 649 -4.187 -9.401 11.704 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.176 -8.709 8.909 1.00 0.00 H new ATOM 0 HG3 MET B 649 -4.098 -7.560 9.858 1.00 0.00 H new ATOM 0 HE1 MET B 649 -1.207 -5.712 11.091 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.643 -6.093 9.408 1.00 0.00 H new ATOM 0 HE3 MET B 649 -2.919 -5.806 10.614 1.00 0.00 H new ATOM 1809 N ASN B 650 -3.498 -12.465 12.182 1.00 0.00 N ATOM 1810 CA ASN B 650 -4.101 -13.572 12.977 1.00 0.00 C ATOM 1811 C ASN B 650 -5.519 -13.179 13.402 1.00 0.00 C ATOM 1812 O ASN B 650 -5.728 -12.013 13.689 1.00 0.00 O ATOM 1813 CB ASN B 650 -3.248 -13.829 14.221 1.00 0.00 C ATOM 1814 CG ASN B 650 -3.087 -12.527 15.007 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -2.105 -11.827 14.854 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -4.017 -12.169 15.850 1.00 0.00 N ATOM 1817 OXT ASN B 650 -6.369 -14.054 13.434 1.00 0.00 O ATOM 0 H ASN B 650 -2.616 -12.101 12.544 1.00 0.00 H new ATOM 0 HA ASN B 650 -4.140 -14.477 12.371 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -3.718 -14.588 14.847 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -2.271 -14.215 13.931 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -3.919 -11.303 16.380 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -4.841 -12.756 15.979 1.00 0.00 H new