USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 304 SER OG : rot 180:sc= -0.302 USER MOD Single : A 305 LYS NZ :NH3+ -153:sc= -0.941 (180deg=-1.56) USER MOD Single : A 306 MET CE :methyl -161:sc= -0.256 (180deg=-0.742) USER MOD Single : A 307 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 308 GLN : amide:sc= 0.461 K(o=0.46,f=-0.32) 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 -1:sc= -0.295 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot 93:sc= 0.933 USER MOD Single : B 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 626 LYS NZ :NH3+ -167:sc=-0.00489 (180deg=-0.22) USER MOD Single : B 628 LYS NZ :NH3+ -147:sc= -0.278 (180deg=-1.42!) USER MOD Single : B 630 SER OG : rot 180:sc= -0.0265 USER MOD Single : B 637 ASN : amide:sc= -0.217! C(o=-0.22!,f=-9!) USER MOD Single : B 642 GLN : amide:sc= -4.41! C(o=-4.4!,f=-7.6!) USER MOD Single : B 646 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.24) USER MOD Single : B 647 LYS NZ :NH3+ -151:sc= -0.12 (180deg=-0.832) USER MOD Single : B 648 HIS : no HE2:sc= -11.3! C(o=-11!,f=-18!) USER MOD Single : B 649 MET CE :methyl 180:sc= -0.0509 (180deg=-0.0509) USER MOD Single : B 650 ASN : amide:sc= -0.931 X(o=-0.93,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.356 -2.218 -1.702 1.00 0.00 N ATOM 339 CA GLU A 301 17.853 -3.382 -2.484 1.00 0.00 C ATOM 340 C GLU A 301 16.332 -3.467 -2.365 1.00 0.00 C ATOM 341 O GLU A 301 15.648 -3.848 -3.293 1.00 0.00 O ATOM 342 CB GLU A 301 18.469 -4.663 -1.920 1.00 0.00 C ATOM 343 CG GLU A 301 19.991 -4.603 -2.062 1.00 0.00 C ATOM 344 CD GLU A 301 20.602 -5.916 -1.569 1.00 0.00 C ATOM 345 OE1 GLU A 301 20.069 -6.959 -1.908 1.00 0.00 O ATOM 346 OE2 GLU A 301 21.593 -5.855 -0.860 1.00 0.00 O ATOM 0 HA GLU A 301 18.128 -3.261 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 301 18.195 -4.780 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.078 -5.531 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 301 20.263 -4.431 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 301 20.388 -3.766 -1.487 1.00 0.00 H new ATOM 353 N PHE A 302 15.799 -3.127 -1.224 1.00 0.00 N ATOM 354 CA PHE A 302 14.324 -3.201 -1.048 1.00 0.00 C ATOM 355 C PHE A 302 13.641 -2.206 -1.991 1.00 0.00 C ATOM 356 O PHE A 302 12.762 -2.560 -2.752 1.00 0.00 O ATOM 357 CB PHE A 302 13.958 -2.868 0.403 1.00 0.00 C ATOM 358 CG PHE A 302 12.489 -3.154 0.640 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.537 -2.151 0.414 1.00 0.00 C ATOM 360 CD2 PHE A 302 12.079 -4.418 1.091 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.179 -2.412 0.637 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.718 -4.676 1.314 1.00 0.00 C ATOM 363 CZ PHE A 302 9.770 -3.673 1.086 1.00 0.00 C ATOM 0 H PHE A 302 16.320 -2.802 -0.409 1.00 0.00 H new ATOM 0 HA PHE A 302 13.986 -4.210 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.568 -3.459 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.172 -1.819 0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.850 -1.177 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.811 -5.192 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.446 -1.638 0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 302 10.402 -5.649 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.722 -3.872 1.256 1.00 0.00 H new ATOM 373 N CYS A 303 14.032 -0.963 -1.940 1.00 0.00 N ATOM 374 CA CYS A 303 13.398 0.061 -2.820 1.00 0.00 C ATOM 375 C CYS A 303 14.061 0.065 -4.204 1.00 0.00 C ATOM 376 O CYS A 303 13.402 0.183 -5.219 1.00 0.00 O ATOM 377 CB CYS A 303 13.561 1.438 -2.172 1.00 0.00 C ATOM 378 SG CYS A 303 12.304 1.651 -0.890 1.00 0.00 S ATOM 0 H CYS A 303 14.765 -0.610 -1.325 1.00 0.00 H new ATOM 0 HA CYS A 303 12.341 -0.176 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.557 1.533 -1.740 1.00 0.00 H new ATOM 0 HB3 CYS A 303 13.464 2.220 -2.925 1.00 0.00 H new ATOM 383 N SER A 304 15.359 -0.034 -4.250 1.00 0.00 N ATOM 384 CA SER A 304 16.072 -0.004 -5.562 1.00 0.00 C ATOM 385 C SER A 304 15.635 -1.169 -6.457 1.00 0.00 C ATOM 386 O SER A 304 15.675 -1.070 -7.673 1.00 0.00 O ATOM 387 CB SER A 304 17.578 -0.096 -5.315 1.00 0.00 C ATOM 388 OG SER A 304 17.934 -1.451 -5.076 1.00 0.00 O ATOM 0 H SER A 304 15.962 -0.135 -3.433 1.00 0.00 H new ATOM 0 HA SER A 304 15.825 0.929 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.123 0.288 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.856 0.521 -4.461 1.00 0.00 H new ATOM 0 HG SER A 304 18.899 -1.513 -4.919 1.00 0.00 H new ATOM 394 N LYS A 305 15.179 -2.262 -5.886 1.00 0.00 N ATOM 395 CA LYS A 305 14.725 -3.404 -6.750 1.00 0.00 C ATOM 396 C LYS A 305 13.220 -3.261 -6.980 1.00 0.00 C ATOM 397 O LYS A 305 12.684 -3.634 -8.018 1.00 0.00 O ATOM 398 CB LYS A 305 15.057 -4.751 -6.101 1.00 0.00 C ATOM 399 CG LYS A 305 14.810 -5.883 -7.105 1.00 0.00 C ATOM 400 CD LYS A 305 14.725 -7.220 -6.362 1.00 0.00 C ATOM 401 CE LYS A 305 15.983 -7.419 -5.516 1.00 0.00 C ATOM 402 NZ LYS A 305 17.186 -7.060 -6.319 1.00 0.00 N ATOM 0 H LYS A 305 15.102 -2.412 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 305 15.249 -3.375 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 305 16.097 -4.762 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.443 -4.899 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 305 13.886 -5.701 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 305 15.615 -5.914 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 305 13.840 -7.238 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 305 14.621 -8.038 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 305 15.933 -6.800 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 305 16.050 -8.455 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 18.008 -7.592 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 17.020 -7.297 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 17.371 -6.040 -6.231 1.00 0.00 H new ATOM 416 N MET A 306 12.531 -2.660 -6.058 1.00 0.00 N ATOM 417 CA MET A 306 11.085 -2.450 -6.272 1.00 0.00 C ATOM 418 C MET A 306 10.943 -1.507 -7.452 1.00 0.00 C ATOM 419 O MET A 306 9.907 -1.437 -8.082 1.00 0.00 O ATOM 420 CB MET A 306 10.435 -1.834 -5.028 1.00 0.00 C ATOM 421 CG MET A 306 10.139 -2.928 -3.999 1.00 0.00 C ATOM 422 SD MET A 306 9.775 -2.166 -2.399 1.00 0.00 S ATOM 423 CE MET A 306 7.988 -1.999 -2.630 1.00 0.00 C ATOM 0 H MET A 306 12.904 -2.310 -5.176 1.00 0.00 H new ATOM 0 HA MET A 306 10.587 -3.400 -6.465 1.00 0.00 H new ATOM 0 HB2 MET A 306 11.097 -1.084 -4.595 1.00 0.00 H new ATOM 0 HB3 MET A 306 9.513 -1.323 -5.304 1.00 0.00 H new ATOM 0 HG2 MET A 306 9.293 -3.532 -4.327 1.00 0.00 H new ATOM 0 HG3 MET A 306 10.994 -3.599 -3.909 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.598 -1.261 -1.929 1.00 0.00 H new ATOM 0 HE2 MET A 306 7.782 -1.675 -3.650 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.506 -2.960 -2.450 1.00 0.00 H new ATOM 433 N ASN A 307 11.996 -0.791 -7.787 1.00 0.00 N ATOM 434 CA ASN A 307 11.904 0.119 -8.959 1.00 0.00 C ATOM 435 C ASN A 307 12.166 -0.749 -10.180 1.00 0.00 C ATOM 436 O ASN A 307 11.557 -0.592 -11.214 1.00 0.00 O ATOM 437 CB ASN A 307 12.937 1.243 -8.855 1.00 0.00 C ATOM 438 CG ASN A 307 12.616 2.123 -7.646 1.00 0.00 C ATOM 439 OD1 ASN A 307 11.553 2.015 -7.066 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.495 2.997 -7.238 1.00 0.00 N ATOM 0 H ASN A 307 12.895 -0.802 -7.305 1.00 0.00 H new ATOM 0 HA ASN A 307 10.928 0.600 -9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.938 0.823 -8.757 1.00 0.00 H new ATOM 0 HB3 ASN A 307 12.931 1.842 -9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.290 3.589 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.387 3.088 -7.724 1.00 0.00 H new ATOM 447 N GLN A 308 13.073 -1.702 -10.025 1.00 0.00 N ATOM 448 CA GLN A 308 13.404 -2.658 -11.143 1.00 0.00 C ATOM 449 C GLN A 308 12.134 -2.966 -11.926 1.00 0.00 C ATOM 450 O GLN A 308 12.140 -3.079 -13.137 1.00 0.00 O ATOM 451 CB GLN A 308 13.926 -3.978 -10.564 1.00 0.00 C ATOM 452 CG GLN A 308 14.517 -4.831 -11.691 1.00 0.00 C ATOM 453 CD GLN A 308 15.850 -4.230 -12.141 1.00 0.00 C ATOM 454 OE1 GLN A 308 16.887 -4.542 -11.588 1.00 0.00 O ATOM 455 NE2 GLN A 308 15.868 -3.378 -13.128 1.00 0.00 N ATOM 0 H GLN A 308 13.599 -1.856 -9.165 1.00 0.00 H new ATOM 0 HA GLN A 308 14.159 -2.203 -11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.685 -3.781 -9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.117 -4.517 -10.072 1.00 0.00 H new ATOM 0 HG2 GLN A 308 14.665 -5.855 -11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 308 13.823 -4.874 -12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 308 14.998 -3.116 -13.592 1.00 0.00 H new ATOM 0 HE22 GLN A 308 16.752 -2.973 -13.436 1.00 0.00 H new ATOM 464 N VAL A 309 11.038 -3.086 -11.226 1.00 0.00 N ATOM 465 CA VAL A 309 9.739 -3.371 -11.912 1.00 0.00 C ATOM 466 C VAL A 309 9.574 -2.433 -13.118 1.00 0.00 C ATOM 467 O VAL A 309 8.720 -2.632 -13.960 1.00 0.00 O ATOM 468 CB VAL A 309 8.583 -3.152 -10.933 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.280 -3.649 -11.562 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.856 -3.935 -9.649 1.00 0.00 C ATOM 0 H VAL A 309 10.983 -3.000 -10.211 1.00 0.00 H new ATOM 0 HA VAL A 309 9.733 -4.406 -12.255 1.00 0.00 H new ATOM 0 HB VAL A 309 8.494 -2.090 -10.705 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.457 -3.493 -10.865 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.086 -3.097 -12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.367 -4.712 -11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.035 -3.782 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 309 8.942 -4.996 -9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.786 -3.585 -9.200 1.00 0.00 H new ATOM 480 N CYS A 310 10.402 -1.424 -13.218 1.00 0.00 N ATOM 481 CA CYS A 310 10.320 -0.483 -14.375 1.00 0.00 C ATOM 482 C CYS A 310 11.196 -1.028 -15.514 1.00 0.00 C ATOM 483 O CYS A 310 10.702 -1.551 -16.494 1.00 0.00 O ATOM 484 CB CYS A 310 10.812 0.920 -13.937 1.00 0.00 C ATOM 485 SG CYS A 310 9.417 2.076 -13.862 1.00 0.00 S ATOM 0 H CYS A 310 11.136 -1.211 -12.543 1.00 0.00 H new ATOM 0 HA CYS A 310 9.290 -0.396 -14.721 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.294 0.856 -12.962 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.561 1.287 -14.639 1.00 0.00 H new ATOM 490 N GLY A 311 12.491 -0.910 -15.389 1.00 0.00 N ATOM 491 CA GLY A 311 13.399 -1.420 -16.459 1.00 0.00 C ATOM 492 C GLY A 311 13.713 -2.896 -16.206 1.00 0.00 C ATOM 493 O GLY A 311 13.989 -3.300 -15.094 1.00 0.00 O ATOM 0 H GLY A 311 12.961 -0.482 -14.591 1.00 0.00 H new ATOM 0 HA2 GLY A 311 12.930 -1.300 -17.436 1.00 0.00 H new ATOM 0 HA3 GLY A 311 14.321 -0.839 -16.475 1.00 0.00 H new ATOM 928 N GLY B 593 -7.149 7.582 -0.160 1.00 0.00 N ATOM 929 CA GLY B 593 -6.103 6.740 -0.807 1.00 0.00 C ATOM 930 C GLY B 593 -4.953 7.627 -1.285 1.00 0.00 C ATOM 931 O GLY B 593 -4.973 8.145 -2.384 1.00 0.00 O ATOM 0 HA2 GLY B 593 -5.733 5.996 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.530 6.196 -1.649 1.00 0.00 H new ATOM 935 N SER B 594 -3.946 7.810 -0.470 1.00 0.00 N ATOM 936 CA SER B 594 -2.795 8.666 -0.883 1.00 0.00 C ATOM 937 C SER B 594 -1.743 7.828 -1.599 1.00 0.00 C ATOM 938 O SER B 594 -1.757 6.613 -1.564 1.00 0.00 O ATOM 939 CB SER B 594 -2.137 9.315 0.330 1.00 0.00 C ATOM 940 OG SER B 594 -3.034 10.254 0.909 1.00 0.00 O ATOM 0 H SER B 594 -3.872 7.404 0.463 1.00 0.00 H new ATOM 0 HA SER B 594 -3.183 9.437 -1.549 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.868 8.554 1.062 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.214 9.813 0.034 1.00 0.00 H new ATOM 0 HG SER B 594 -2.613 10.670 1.690 1.00 0.00 H new ATOM 946 N LEU B 595 -0.831 8.487 -2.246 1.00 0.00 N ATOM 947 CA LEU B 595 0.251 7.786 -2.982 1.00 0.00 C ATOM 948 C LEU B 595 1.484 7.676 -2.091 1.00 0.00 C ATOM 949 O LEU B 595 2.020 8.669 -1.640 1.00 0.00 O ATOM 950 CB LEU B 595 0.595 8.621 -4.207 1.00 0.00 C ATOM 951 CG LEU B 595 -0.658 8.861 -5.058 1.00 0.00 C ATOM 952 CD1 LEU B 595 -0.252 9.521 -6.377 1.00 0.00 C ATOM 953 CD2 LEU B 595 -1.367 7.529 -5.347 1.00 0.00 C ATOM 0 H LEU B 595 -0.788 9.505 -2.297 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.071 6.786 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU B 595 1.020 9.575 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.354 8.112 -4.801 1.00 0.00 H new ATOM 0 HG LEU B 595 -1.341 9.512 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -1.140 9.694 -6.986 1.00 0.00 H new ATOM 0 HD12 LEU B 595 0.238 10.473 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU B 595 0.435 8.867 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -2.255 7.713 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -0.691 6.867 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -1.659 7.061 -4.407 1.00 0.00 H new ATOM 965 N LEU B 596 1.939 6.471 -1.835 1.00 0.00 N ATOM 966 CA LEU B 596 3.147 6.276 -0.968 1.00 0.00 C ATOM 967 C LEU B 596 4.160 5.396 -1.714 1.00 0.00 C ATOM 968 O LEU B 596 3.797 4.571 -2.528 1.00 0.00 O ATOM 969 CB LEU B 596 2.736 5.603 0.361 1.00 0.00 C ATOM 970 CG LEU B 596 1.332 6.100 0.830 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.260 5.044 0.532 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.346 6.364 2.343 1.00 0.00 C ATOM 0 H LEU B 596 1.524 5.610 -2.191 1.00 0.00 H new ATOM 0 HA LEU B 596 3.600 7.242 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.719 4.521 0.234 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.478 5.822 1.128 1.00 0.00 H new ATOM 0 HG LEU B 596 1.102 7.019 0.290 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.712 5.408 0.866 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.227 4.852 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.502 4.121 1.059 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.363 6.710 2.661 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.595 5.443 2.871 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.091 7.126 2.572 1.00 0.00 H new ATOM 984 N ARG B 597 5.429 5.578 -1.451 1.00 0.00 N ATOM 985 CA ARG B 597 6.470 4.765 -2.154 1.00 0.00 C ATOM 986 C ARG B 597 6.723 3.458 -1.395 1.00 0.00 C ATOM 987 O ARG B 597 5.845 2.920 -0.749 1.00 0.00 O ATOM 988 CB ARG B 597 7.775 5.563 -2.247 1.00 0.00 C ATOM 989 CG ARG B 597 7.469 7.011 -2.639 1.00 0.00 C ATOM 990 CD ARG B 597 8.776 7.799 -2.748 1.00 0.00 C ATOM 991 NE ARG B 597 9.329 8.029 -1.384 1.00 0.00 N ATOM 992 CZ ARG B 597 10.567 8.416 -1.238 1.00 0.00 C ATOM 993 NH1 ARG B 597 11.320 8.605 -2.287 1.00 0.00 N ATOM 994 NH2 ARG B 597 11.052 8.615 -0.043 1.00 0.00 N ATOM 0 H ARG B 597 5.791 6.255 -0.779 1.00 0.00 H new ATOM 0 HA ARG B 597 6.114 4.531 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.297 5.538 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.438 5.109 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG B 597 6.937 7.036 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG B 597 6.817 7.470 -1.896 1.00 0.00 H new ATOM 0 HD2 ARG B 597 9.495 7.250 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG B 597 8.599 8.752 -3.246 1.00 0.00 H new ATOM 0 HE ARG B 597 8.740 7.884 -0.564 1.00 0.00 H new ATOM 0 HH11 ARG B 597 10.941 8.450 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG B 597 12.287 8.907 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG B 597 10.464 8.468 0.777 1.00 0.00 H new ATOM 0 HH22 ARG B 597 12.019 8.917 0.071 1.00 0.00 H new ATOM 1008 N CYS B 598 7.917 2.933 -1.490 1.00 0.00 N ATOM 1009 CA CYS B 598 8.237 1.647 -0.801 1.00 0.00 C ATOM 1010 C CYS B 598 8.597 1.896 0.668 1.00 0.00 C ATOM 1011 O CYS B 598 7.745 1.883 1.533 1.00 0.00 O ATOM 1012 CB CYS B 598 9.420 0.984 -1.513 1.00 0.00 C ATOM 1013 SG CYS B 598 10.661 2.240 -1.907 1.00 0.00 S ATOM 0 H CYS B 598 8.688 3.342 -2.018 1.00 0.00 H new ATOM 0 HA CYS B 598 7.363 0.996 -0.836 1.00 0.00 H new ATOM 0 HB2 CYS B 598 9.856 0.213 -0.878 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.081 0.492 -2.425 1.00 0.00 H new ATOM 1018 N SER B 599 9.857 2.109 0.956 1.00 0.00 N ATOM 1019 CA SER B 599 10.278 2.342 2.371 1.00 0.00 C ATOM 1020 C SER B 599 9.316 3.327 3.037 1.00 0.00 C ATOM 1021 O SER B 599 9.154 3.353 4.250 1.00 0.00 O ATOM 1022 CB SER B 599 11.693 2.922 2.392 1.00 0.00 C ATOM 1023 OG SER B 599 11.988 3.392 3.700 1.00 0.00 O ATOM 0 H SER B 599 10.613 2.132 0.271 1.00 0.00 H new ATOM 0 HA SER B 599 10.262 1.397 2.913 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.415 2.161 2.095 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.775 3.737 1.673 1.00 0.00 H new ATOM 0 HG SER B 599 12.895 3.763 3.717 1.00 0.00 H new ATOM 1029 N GLU B 600 8.663 4.133 2.247 1.00 0.00 N ATOM 1030 CA GLU B 600 7.702 5.110 2.812 1.00 0.00 C ATOM 1031 C GLU B 600 6.794 4.381 3.802 1.00 0.00 C ATOM 1032 O GLU B 600 6.428 4.884 4.853 1.00 0.00 O ATOM 1033 CB GLU B 600 6.844 5.671 1.674 1.00 0.00 C ATOM 1034 CG GLU B 600 6.058 6.890 2.169 1.00 0.00 C ATOM 1035 CD GLU B 600 7.020 8.048 2.445 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.801 8.367 1.563 1.00 0.00 O ATOM 1037 OE2 GLU B 600 6.957 8.598 3.532 1.00 0.00 O ATOM 0 H GLU B 600 8.756 4.154 1.232 1.00 0.00 H new ATOM 0 HA GLU B 600 8.234 5.919 3.313 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.478 5.952 0.833 1.00 0.00 H new ATOM 0 HB3 GLU B 600 6.157 4.906 1.313 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.321 7.187 1.423 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.509 6.637 3.076 1.00 0.00 H new ATOM 1044 N ILE B 601 6.411 3.183 3.441 1.00 0.00 N ATOM 1045 CA ILE B 601 5.506 2.407 4.314 1.00 0.00 C ATOM 1046 C ILE B 601 6.277 2.031 5.584 1.00 0.00 C ATOM 1047 O ILE B 601 5.731 1.968 6.663 1.00 0.00 O ATOM 1048 CB ILE B 601 5.011 1.155 3.527 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.519 1.303 3.181 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.187 -0.139 4.334 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.318 2.419 2.147 1.00 0.00 C ATOM 0 H ILE B 601 6.690 2.716 2.578 1.00 0.00 H new ATOM 0 HA ILE B 601 4.628 2.982 4.608 1.00 0.00 H new ATOM 0 HB ILE B 601 5.615 1.092 2.622 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.135 0.361 2.789 1.00 0.00 H new ATOM 0 HG13 ILE B 601 2.950 1.528 4.083 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.829 -0.985 3.747 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.242 -0.281 4.569 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.615 -0.071 5.259 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.257 2.511 1.913 1.00 0.00 H new ATOM 0 HD12 ILE B 601 3.683 3.362 2.554 1.00 0.00 H new ATOM 0 HD13 ILE B 601 3.870 2.178 1.239 1.00 0.00 H new ATOM 1063 N TRP B 602 7.563 1.778 5.446 1.00 0.00 N ATOM 1064 CA TRP B 602 8.389 1.410 6.636 1.00 0.00 C ATOM 1065 C TRP B 602 8.039 2.371 7.758 1.00 0.00 C ATOM 1066 O TRP B 602 7.925 1.995 8.907 1.00 0.00 O ATOM 1067 CB TRP B 602 9.879 1.528 6.302 1.00 0.00 C ATOM 1068 CG TRP B 602 10.688 0.881 7.380 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.358 1.542 8.351 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.926 -0.538 7.613 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.991 0.620 9.166 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.754 -0.676 8.751 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.507 -1.708 6.953 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.153 -1.928 9.220 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 10.907 -2.971 7.421 1.00 0.00 C ATOM 1076 CH2 TRP B 602 11.728 -3.080 8.552 1.00 0.00 C ATOM 0 H TRP B 602 8.070 1.812 4.561 1.00 0.00 H new ATOM 0 HA TRP B 602 8.185 0.381 6.932 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.086 1.052 5.343 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.158 2.577 6.204 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.393 2.615 8.471 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.562 0.867 9.974 1.00 0.00 H new ATOM 0 HE3 TRP B 602 9.874 -1.635 6.081 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.785 -2.006 10.092 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 10.580 -3.863 6.907 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.032 -4.054 8.907 1.00 0.00 H new ATOM 1087 N ASP B 603 7.818 3.610 7.419 1.00 0.00 N ATOM 1088 CA ASP B 603 7.417 4.589 8.461 1.00 0.00 C ATOM 1089 C ASP B 603 6.025 4.191 8.960 1.00 0.00 C ATOM 1090 O ASP B 603 5.753 4.188 10.144 1.00 0.00 O ATOM 1091 CB ASP B 603 7.371 5.994 7.859 1.00 0.00 C ATOM 1092 CG ASP B 603 7.198 7.024 8.978 1.00 0.00 C ATOM 1093 OD1 ASP B 603 8.188 7.355 9.609 1.00 0.00 O ATOM 1094 OD2 ASP B 603 6.079 7.464 9.183 1.00 0.00 O ATOM 0 H ASP B 603 7.897 3.983 6.473 1.00 0.00 H new ATOM 0 HA ASP B 603 8.132 4.589 9.284 1.00 0.00 H new ATOM 0 HB2 ASP B 603 8.288 6.194 7.305 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.547 6.070 7.150 1.00 0.00 H new ATOM 1099 N ARG B 604 5.146 3.831 8.056 1.00 0.00 N ATOM 1100 CA ARG B 604 3.772 3.403 8.469 1.00 0.00 C ATOM 1101 C ARG B 604 3.882 2.221 9.446 1.00 0.00 C ATOM 1102 O ARG B 604 3.154 2.118 10.413 1.00 0.00 O ATOM 1103 CB ARG B 604 2.983 2.964 7.226 1.00 0.00 C ATOM 1104 CG ARG B 604 1.535 2.632 7.612 1.00 0.00 C ATOM 1105 CD ARG B 604 0.638 2.653 6.368 1.00 0.00 C ATOM 1106 NE ARG B 604 0.791 3.953 5.630 1.00 0.00 N ATOM 1107 CZ ARG B 604 0.571 5.105 6.209 1.00 0.00 C ATOM 1108 NH1 ARG B 604 0.034 5.162 7.395 1.00 0.00 N ATOM 1109 NH2 ARG B 604 0.841 6.210 5.570 1.00 0.00 N ATOM 0 H ARG B 604 5.320 3.815 7.051 1.00 0.00 H new ATOM 0 HA ARG B 604 3.258 4.233 8.954 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.996 3.757 6.478 1.00 0.00 H new ATOM 0 HB3 ARG B 604 3.456 2.092 6.774 1.00 0.00 H new ATOM 0 HG2 ARG B 604 1.492 1.650 8.084 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.171 3.353 8.344 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.898 1.823 5.711 1.00 0.00 H new ATOM 0 HD3 ARG B 604 -0.403 2.515 6.661 1.00 0.00 H new ATOM 0 HE ARG B 604 1.074 3.937 4.650 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.220 4.302 7.882 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -0.133 6.066 7.836 1.00 0.00 H new ATOM 0 HH21 ARG B 604 1.221 6.172 4.624 1.00 0.00 H new ATOM 0 HH22 ARG B 604 0.672 7.112 6.016 1.00 0.00 H new ATOM 1123 N ILE B 605 4.802 1.332 9.178 1.00 0.00 N ATOM 1124 CA ILE B 605 5.019 0.127 10.042 1.00 0.00 C ATOM 1125 C ILE B 605 5.742 0.503 11.343 1.00 0.00 C ATOM 1126 O ILE B 605 5.329 0.120 12.419 1.00 0.00 O ATOM 1127 CB ILE B 605 5.877 -0.876 9.259 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.047 -1.448 8.106 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.322 -2.024 10.175 1.00 0.00 C ATOM 1130 CD1 ILE B 605 5.971 -2.143 7.101 1.00 0.00 C ATOM 0 H ILE B 605 5.430 1.390 8.376 1.00 0.00 H new ATOM 0 HA ILE B 605 4.053 -0.305 10.303 1.00 0.00 H new ATOM 0 HB ILE B 605 6.760 -0.366 8.873 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.313 -2.156 8.490 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.492 -0.650 7.613 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.930 -2.728 9.607 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.908 -1.623 11.002 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.444 -2.537 10.568 1.00 0.00 H new ATOM 0 HD11 ILE B 605 5.378 -2.549 6.282 1.00 0.00 H new ATOM 0 HD12 ILE B 605 6.688 -1.423 6.707 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.506 -2.953 7.598 1.00 0.00 H new ATOM 1142 N THR B 606 6.824 1.224 11.261 1.00 0.00 N ATOM 1143 CA THR B 606 7.566 1.583 12.504 1.00 0.00 C ATOM 1144 C THR B 606 6.668 2.389 13.445 1.00 0.00 C ATOM 1145 O THR B 606 6.537 2.074 14.612 1.00 0.00 O ATOM 1146 CB THR B 606 8.801 2.409 12.144 1.00 0.00 C ATOM 1147 OG1 THR B 606 8.408 3.533 11.370 1.00 0.00 O ATOM 1148 CG2 THR B 606 9.777 1.547 11.341 1.00 0.00 C ATOM 0 H THR B 606 7.226 1.579 10.394 1.00 0.00 H new ATOM 0 HA THR B 606 7.873 0.666 13.008 1.00 0.00 H new ATOM 0 HB THR B 606 9.289 2.751 13.057 1.00 0.00 H new ATOM 0 HG1 THR B 606 7.439 3.509 11.227 1.00 0.00 H new ATOM 0 HG21 THR B 606 10.657 2.137 11.085 1.00 0.00 H new ATOM 0 HG22 THR B 606 10.078 0.686 11.938 1.00 0.00 H new ATOM 0 HG23 THR B 606 9.292 1.203 10.427 1.00 0.00 H new ATOM 1267 N ILE B 614 3.848 -10.651 11.886 1.00 0.00 N ATOM 1268 CA ILE B 614 3.514 -10.304 10.471 1.00 0.00 C ATOM 1269 C ILE B 614 4.480 -11.029 9.526 1.00 0.00 C ATOM 1270 O ILE B 614 5.440 -11.637 9.957 1.00 0.00 O ATOM 1271 CB ILE B 614 3.656 -8.788 10.289 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.678 -8.076 11.230 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.352 -8.398 8.836 1.00 0.00 C ATOM 1274 CD1 ILE B 614 3.047 -6.595 11.323 1.00 0.00 C ATOM 0 HA ILE B 614 2.493 -10.610 10.242 1.00 0.00 H new ATOM 0 HB ILE B 614 4.678 -8.491 10.524 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.658 -8.185 10.862 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.711 -8.533 12.219 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.456 -7.319 8.719 1.00 0.00 H new ATOM 0 HG22 ILE B 614 4.051 -8.904 8.170 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.333 -8.693 8.586 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.352 -6.088 11.992 1.00 0.00 H new ATOM 0 HD12 ILE B 614 4.061 -6.496 11.711 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.992 -6.143 10.333 1.00 0.00 H new ATOM 1286 N ASP B 615 4.238 -10.957 8.238 1.00 0.00 N ATOM 1287 CA ASP B 615 5.132 -11.619 7.241 1.00 0.00 C ATOM 1288 C ASP B 615 5.671 -10.549 6.292 1.00 0.00 C ATOM 1289 O ASP B 615 4.938 -9.965 5.523 1.00 0.00 O ATOM 1290 CB ASP B 615 4.331 -12.648 6.442 1.00 0.00 C ATOM 1291 CG ASP B 615 5.261 -13.383 5.476 1.00 0.00 C ATOM 1292 OD1 ASP B 615 6.323 -13.801 5.907 1.00 0.00 O ATOM 1293 OD2 ASP B 615 4.897 -13.514 4.319 1.00 0.00 O ATOM 0 H ASP B 615 3.446 -10.459 7.832 1.00 0.00 H new ATOM 0 HA ASP B 615 5.955 -12.122 7.750 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.856 -13.359 7.118 1.00 0.00 H new ATOM 0 HB3 ASP B 615 3.533 -12.153 5.889 1.00 0.00 H new ATOM 1298 N VAL B 616 6.945 -10.289 6.340 1.00 0.00 N ATOM 1299 CA VAL B 616 7.525 -9.255 5.439 1.00 0.00 C ATOM 1300 C VAL B 616 7.720 -9.854 4.043 1.00 0.00 C ATOM 1301 O VAL B 616 7.904 -9.150 3.065 1.00 0.00 O ATOM 1302 CB VAL B 616 8.872 -8.791 5.994 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.456 -7.709 5.085 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.672 -8.218 7.401 1.00 0.00 C ATOM 0 H VAL B 616 7.611 -10.746 6.963 1.00 0.00 H new ATOM 0 HA VAL B 616 6.850 -8.402 5.377 1.00 0.00 H new ATOM 0 HB VAL B 616 9.557 -9.638 6.037 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.416 -7.379 5.482 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.597 -8.113 4.083 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.771 -6.862 5.041 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.631 -7.887 7.799 1.00 0.00 H new ATOM 0 HG22 VAL B 616 7.986 -7.372 7.355 1.00 0.00 H new ATOM 0 HG23 VAL B 616 8.256 -8.987 8.051 1.00 0.00 H new ATOM 1314 N ASP B 617 7.692 -11.153 3.946 1.00 0.00 N ATOM 1315 CA ASP B 617 7.896 -11.811 2.623 1.00 0.00 C ATOM 1316 C ASP B 617 6.649 -11.668 1.746 1.00 0.00 C ATOM 1317 O ASP B 617 6.743 -11.432 0.558 1.00 0.00 O ATOM 1318 CB ASP B 617 8.195 -13.296 2.838 1.00 0.00 C ATOM 1319 CG ASP B 617 9.448 -13.443 3.704 1.00 0.00 C ATOM 1320 OD1 ASP B 617 9.314 -13.411 4.916 1.00 0.00 O ATOM 1321 OD2 ASP B 617 10.521 -13.583 3.140 1.00 0.00 O ATOM 0 H ASP B 617 7.536 -11.790 4.727 1.00 0.00 H new ATOM 0 HA ASP B 617 8.733 -11.328 2.119 1.00 0.00 H new ATOM 0 HB2 ASP B 617 7.347 -13.783 3.320 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.343 -13.791 1.878 1.00 0.00 H new ATOM 1326 N GLY B 618 5.485 -11.823 2.307 1.00 0.00 N ATOM 1327 CA GLY B 618 4.249 -11.707 1.483 1.00 0.00 C ATOM 1328 C GLY B 618 4.127 -10.297 0.911 1.00 0.00 C ATOM 1329 O GLY B 618 3.769 -10.120 -0.234 1.00 0.00 O ATOM 0 H GLY B 618 5.334 -12.024 3.296 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.274 -12.435 0.672 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.375 -11.937 2.092 1.00 0.00 H new ATOM 1333 N LEU B 619 4.441 -9.292 1.679 1.00 0.00 N ATOM 1334 CA LEU B 619 4.341 -7.915 1.121 1.00 0.00 C ATOM 1335 C LEU B 619 5.404 -7.793 0.032 1.00 0.00 C ATOM 1336 O LEU B 619 5.294 -6.997 -0.877 1.00 0.00 O ATOM 1337 CB LEU B 619 4.541 -6.819 2.204 1.00 0.00 C ATOM 1338 CG LEU B 619 4.839 -7.444 3.574 1.00 0.00 C ATOM 1339 CD1 LEU B 619 5.335 -6.343 4.524 1.00 0.00 C ATOM 1340 CD2 LEU B 619 3.567 -8.102 4.161 1.00 0.00 C ATOM 0 H LEU B 619 4.756 -9.360 2.647 1.00 0.00 H new ATOM 0 HA LEU B 619 3.340 -7.759 0.719 1.00 0.00 H new ATOM 0 HB2 LEU B 619 5.361 -6.162 1.914 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.646 -6.201 2.270 1.00 0.00 H new ATOM 0 HG LEU B 619 5.602 -8.213 3.458 1.00 0.00 H new ATOM 0 HD11 LEU B 619 5.550 -6.775 5.501 1.00 0.00 H new ATOM 0 HD12 LEU B 619 6.242 -5.894 4.118 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.566 -5.578 4.627 1.00 0.00 H new ATOM 0 HD21 LEU B 619 3.799 -8.539 5.132 1.00 0.00 H new ATOM 0 HD22 LEU B 619 2.789 -7.348 4.279 1.00 0.00 H new ATOM 0 HD23 LEU B 619 3.217 -8.883 3.486 1.00 0.00 H new ATOM 1352 N CYS B 620 6.434 -8.586 0.116 1.00 0.00 N ATOM 1353 CA CYS B 620 7.495 -8.517 -0.916 1.00 0.00 C ATOM 1354 C CYS B 620 6.915 -8.888 -2.284 1.00 0.00 C ATOM 1355 O CYS B 620 7.057 -8.153 -3.228 1.00 0.00 O ATOM 1356 CB CYS B 620 8.628 -9.483 -0.553 1.00 0.00 C ATOM 1357 SG CYS B 620 10.143 -8.980 -1.406 1.00 0.00 S ATOM 0 H CYS B 620 6.584 -9.275 0.853 1.00 0.00 H new ATOM 0 HA CYS B 620 7.888 -7.501 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.788 -9.485 0.525 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.358 -10.500 -0.837 1.00 0.00 H new ATOM 0 HG CYS B 620 11.106 -9.797 -1.098 1.00 0.00 H new ATOM 1363 N SER B 621 6.277 -10.027 -2.411 1.00 0.00 N ATOM 1364 CA SER B 621 5.720 -10.419 -3.749 1.00 0.00 C ATOM 1365 C SER B 621 4.328 -9.811 -3.977 1.00 0.00 C ATOM 1366 O SER B 621 3.818 -9.829 -5.078 1.00 0.00 O ATOM 1367 CB SER B 621 5.650 -11.943 -3.860 1.00 0.00 C ATOM 1368 OG SER B 621 4.919 -12.462 -2.758 1.00 0.00 O ATOM 0 H SER B 621 6.118 -10.696 -1.658 1.00 0.00 H new ATOM 0 HA SER B 621 6.387 -10.029 -4.518 1.00 0.00 H new ATOM 0 HB2 SER B 621 5.170 -12.229 -4.796 1.00 0.00 H new ATOM 0 HB3 SER B 621 6.655 -12.364 -3.875 1.00 0.00 H new ATOM 0 HG SER B 621 3.975 -12.555 -3.006 1.00 0.00 H new ATOM 1374 N GLU B 622 3.723 -9.246 -2.970 1.00 0.00 N ATOM 1375 CA GLU B 622 2.380 -8.604 -3.155 1.00 0.00 C ATOM 1376 C GLU B 622 2.554 -7.086 -3.242 1.00 0.00 C ATOM 1377 O GLU B 622 1.833 -6.416 -3.952 1.00 0.00 O ATOM 1378 CB GLU B 622 1.462 -8.945 -1.975 1.00 0.00 C ATOM 1379 CG GLU B 622 0.930 -10.373 -2.130 1.00 0.00 C ATOM 1380 CD GLU B 622 2.083 -11.372 -2.009 1.00 0.00 C ATOM 1381 OE1 GLU B 622 2.713 -11.642 -3.018 1.00 0.00 O ATOM 1382 OE2 GLU B 622 2.311 -11.852 -0.911 1.00 0.00 O ATOM 0 H GLU B 622 4.097 -9.198 -2.022 1.00 0.00 H new ATOM 0 HA GLU B 622 1.929 -8.979 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.009 -8.850 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.632 -8.240 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.179 -10.576 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU B 622 0.440 -10.485 -3.097 1.00 0.00 H new ATOM 1389 N LEU B 623 3.495 -6.529 -2.533 1.00 0.00 N ATOM 1390 CA LEU B 623 3.699 -5.048 -2.590 1.00 0.00 C ATOM 1391 C LEU B 623 4.690 -4.702 -3.721 1.00 0.00 C ATOM 1392 O LEU B 623 4.725 -3.587 -4.200 1.00 0.00 O ATOM 1393 CB LEU B 623 4.237 -4.580 -1.217 1.00 0.00 C ATOM 1394 CG LEU B 623 3.825 -3.113 -0.894 1.00 0.00 C ATOM 1395 CD1 LEU B 623 3.577 -2.958 0.614 1.00 0.00 C ATOM 1396 CD2 LEU B 623 4.942 -2.141 -1.305 1.00 0.00 C ATOM 0 H LEU B 623 4.133 -7.031 -1.916 1.00 0.00 H new ATOM 0 HA LEU B 623 2.759 -4.538 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU B 623 3.861 -5.242 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU B 623 5.324 -4.661 -1.208 1.00 0.00 H new ATOM 0 HG LEU B 623 2.915 -2.885 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU B 623 3.289 -1.929 0.832 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.777 -3.631 0.922 1.00 0.00 H new ATOM 0 HD13 LEU B 623 4.488 -3.203 1.160 1.00 0.00 H new ATOM 0 HD21 LEU B 623 4.639 -1.120 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU B 623 5.854 -2.382 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU B 623 5.126 -2.230 -2.376 1.00 0.00 H new ATOM 1408 N MET B 624 5.513 -5.637 -4.131 1.00 0.00 N ATOM 1409 CA MET B 624 6.519 -5.335 -5.206 1.00 0.00 C ATOM 1410 C MET B 624 5.928 -5.464 -6.617 1.00 0.00 C ATOM 1411 O MET B 624 6.466 -4.905 -7.552 1.00 0.00 O ATOM 1412 CB MET B 624 7.693 -6.310 -5.098 1.00 0.00 C ATOM 1413 CG MET B 624 8.765 -5.949 -6.126 1.00 0.00 C ATOM 1414 SD MET B 624 10.343 -6.703 -5.641 1.00 0.00 S ATOM 1415 CE MET B 624 10.716 -7.546 -7.201 1.00 0.00 C ATOM 0 H MET B 624 5.534 -6.592 -3.772 1.00 0.00 H new ATOM 0 HA MET B 624 6.840 -4.304 -5.057 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.114 -6.276 -4.093 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.346 -7.330 -5.264 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.470 -6.301 -7.115 1.00 0.00 H new ATOM 0 HG3 MET B 624 8.872 -4.866 -6.192 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.663 -8.078 -7.110 1.00 0.00 H new ATOM 0 HE2 MET B 624 9.921 -8.256 -7.430 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.788 -6.812 -8.003 1.00 0.00 H new ATOM 1425 N ALA B 625 4.847 -6.189 -6.800 1.00 0.00 N ATOM 1426 CA ALA B 625 4.265 -6.332 -8.185 1.00 0.00 C ATOM 1427 C ALA B 625 3.028 -5.449 -8.326 1.00 0.00 C ATOM 1428 O ALA B 625 2.540 -5.239 -9.418 1.00 0.00 O ATOM 1429 CB ALA B 625 3.914 -7.792 -8.470 1.00 0.00 C ATOM 0 H ALA B 625 4.345 -6.684 -6.063 1.00 0.00 H new ATOM 0 HA ALA B 625 5.010 -6.011 -8.913 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.496 -7.877 -9.473 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.814 -8.403 -8.400 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.182 -8.139 -7.741 1.00 0.00 H new ATOM 1435 N LYS B 626 2.550 -4.872 -7.263 1.00 0.00 N ATOM 1436 CA LYS B 626 1.390 -3.945 -7.399 1.00 0.00 C ATOM 1437 C LYS B 626 1.979 -2.570 -7.717 1.00 0.00 C ATOM 1438 O LYS B 626 1.286 -1.612 -7.994 1.00 0.00 O ATOM 1439 CB LYS B 626 0.597 -3.902 -6.089 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.224 -5.189 -5.954 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.170 -5.073 -4.759 1.00 0.00 C ATOM 1442 CE LYS B 626 -1.798 -6.439 -4.471 1.00 0.00 C ATOM 1443 NZ LYS B 626 -2.630 -6.857 -5.635 1.00 0.00 N ATOM 0 H LYS B 626 2.905 -4.998 -6.315 1.00 0.00 H new ATOM 0 HA LYS B 626 0.705 -4.269 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.276 -3.799 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.062 -3.033 -6.077 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -0.794 -5.365 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS B 626 0.440 -6.043 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -0.625 -4.719 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.949 -4.340 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.019 -7.177 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.411 -6.387 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -3.227 -7.664 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -3.234 -6.064 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -2.010 -7.134 -6.423 1.00 0.00 H new ATOM 1457 N ALA B 627 3.284 -2.501 -7.665 1.00 0.00 N ATOM 1458 CA ALA B 627 4.029 -1.238 -7.943 1.00 0.00 C ATOM 1459 C ALA B 627 3.445 -0.493 -9.146 1.00 0.00 C ATOM 1460 O ALA B 627 3.130 -1.079 -10.163 1.00 0.00 O ATOM 1461 CB ALA B 627 5.487 -1.600 -8.241 1.00 0.00 C ATOM 0 H ALA B 627 3.882 -3.294 -7.434 1.00 0.00 H new ATOM 0 HA ALA B 627 3.951 -0.585 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.053 -0.691 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.919 -2.108 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.528 -2.258 -9.109 1.00 0.00 H new ATOM 1467 N LYS B 628 3.337 0.812 -9.039 1.00 0.00 N ATOM 1468 CA LYS B 628 2.816 1.643 -10.169 1.00 0.00 C ATOM 1469 C LYS B 628 3.978 2.482 -10.705 1.00 0.00 C ATOM 1470 O LYS B 628 4.267 3.556 -10.208 1.00 0.00 O ATOM 1471 CB LYS B 628 1.702 2.567 -9.657 1.00 0.00 C ATOM 1472 CG LYS B 628 1.246 3.527 -10.768 1.00 0.00 C ATOM 1473 CD LYS B 628 0.818 2.735 -12.015 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.130 3.583 -12.870 1.00 0.00 C ATOM 1475 NZ LYS B 628 -1.333 3.943 -12.068 1.00 0.00 N ATOM 0 H LYS B 628 3.592 1.341 -8.205 1.00 0.00 H new ATOM 0 HA LYS B 628 2.409 1.009 -10.956 1.00 0.00 H new ATOM 0 HB2 LYS B 628 0.856 1.971 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS B 628 2.060 3.137 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.415 4.136 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS B 628 2.056 4.210 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS B 628 1.695 2.455 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.324 1.810 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS B 628 0.378 4.486 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -0.426 3.030 -13.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -2.163 3.996 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -1.493 3.219 -11.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -1.183 4.866 -11.613 1.00 0.00 H new ATOM 1489 N CYS B 629 4.670 1.971 -11.686 1.00 0.00 N ATOM 1490 CA CYS B 629 5.850 2.694 -12.248 1.00 0.00 C ATOM 1491 C CYS B 629 5.471 4.116 -12.695 1.00 0.00 C ATOM 1492 O CYS B 629 4.680 4.326 -13.593 1.00 0.00 O ATOM 1493 CB CYS B 629 6.432 1.886 -13.429 1.00 0.00 C ATOM 1494 SG CYS B 629 7.956 1.048 -12.918 1.00 0.00 S ATOM 0 H CYS B 629 4.467 1.074 -12.128 1.00 0.00 H new ATOM 0 HA CYS B 629 6.607 2.789 -11.469 1.00 0.00 H new ATOM 0 HB2 CYS B 629 5.702 1.153 -13.773 1.00 0.00 H new ATOM 0 HB3 CYS B 629 6.637 2.550 -14.269 1.00 0.00 H new ATOM 1499 N SER B 630 6.085 5.082 -12.064 1.00 0.00 N ATOM 1500 CA SER B 630 5.856 6.519 -12.405 1.00 0.00 C ATOM 1501 C SER B 630 7.195 7.247 -12.268 1.00 0.00 C ATOM 1502 O SER B 630 8.096 6.757 -11.615 1.00 0.00 O ATOM 1503 CB SER B 630 4.836 7.124 -11.438 1.00 0.00 C ATOM 1504 OG SER B 630 4.735 8.521 -11.675 1.00 0.00 O ATOM 0 H SER B 630 6.752 4.932 -11.307 1.00 0.00 H new ATOM 0 HA SER B 630 5.470 6.616 -13.420 1.00 0.00 H new ATOM 0 HB2 SER B 630 3.864 6.649 -11.573 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.141 6.939 -10.408 1.00 0.00 H new ATOM 0 HG SER B 630 4.081 8.911 -11.058 1.00 0.00 H new ATOM 1510 N GLU B 631 7.363 8.399 -12.864 1.00 0.00 N ATOM 1511 CA GLU B 631 8.674 9.098 -12.726 1.00 0.00 C ATOM 1512 C GLU B 631 8.889 9.469 -11.259 1.00 0.00 C ATOM 1513 O GLU B 631 10.007 9.618 -10.807 1.00 0.00 O ATOM 1514 CB GLU B 631 8.696 10.354 -13.601 1.00 0.00 C ATOM 1515 CG GLU B 631 10.090 10.981 -13.563 1.00 0.00 C ATOM 1516 CD GLU B 631 10.095 12.266 -14.395 1.00 0.00 C ATOM 1517 OE1 GLU B 631 9.491 13.232 -13.961 1.00 0.00 O ATOM 1518 OE2 GLU B 631 10.704 12.261 -15.452 1.00 0.00 O ATOM 0 H GLU B 631 6.663 8.878 -13.430 1.00 0.00 H new ATOM 0 HA GLU B 631 9.477 8.438 -13.054 1.00 0.00 H new ATOM 0 HB2 GLU B 631 8.428 10.100 -14.627 1.00 0.00 H new ATOM 0 HB3 GLU B 631 7.954 11.070 -13.246 1.00 0.00 H new ATOM 0 HG2 GLU B 631 10.374 11.201 -12.534 1.00 0.00 H new ATOM 0 HG3 GLU B 631 10.827 10.279 -13.954 1.00 0.00 H new ATOM 1525 N ARG B 632 7.837 9.581 -10.499 1.00 0.00 N ATOM 1526 CA ARG B 632 7.999 9.894 -9.052 1.00 0.00 C ATOM 1527 C ARG B 632 8.372 8.594 -8.337 1.00 0.00 C ATOM 1528 O ARG B 632 7.963 8.335 -7.223 1.00 0.00 O ATOM 1529 CB ARG B 632 6.683 10.441 -8.493 1.00 0.00 C ATOM 1530 CG ARG B 632 6.483 11.888 -8.969 1.00 0.00 C ATOM 1531 CD ARG B 632 5.225 12.503 -8.316 1.00 0.00 C ATOM 1532 NE ARG B 632 4.422 13.241 -9.344 1.00 0.00 N ATOM 1533 CZ ARG B 632 4.987 14.081 -10.174 1.00 0.00 C ATOM 1534 NH1 ARG B 632 6.252 14.376 -10.059 1.00 0.00 N ATOM 1535 NH2 ARG B 632 4.272 14.651 -11.106 1.00 0.00 N ATOM 0 H ARG B 632 6.874 9.470 -10.816 1.00 0.00 H new ATOM 0 HA ARG B 632 8.774 10.646 -8.903 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.850 9.820 -8.823 1.00 0.00 H new ATOM 0 HB3 ARG B 632 6.696 10.404 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.360 12.485 -8.717 1.00 0.00 H new ATOM 0 HG3 ARG B 632 6.384 11.910 -10.054 1.00 0.00 H new ATOM 0 HD2 ARG B 632 4.619 11.718 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG B 632 5.516 13.182 -7.514 1.00 0.00 H new ATOM 0 HE ARG B 632 3.415 13.086 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG B 632 6.809 13.951 -9.318 1.00 0.00 H new ATOM 0 HH12 ARG B 632 6.684 15.032 -10.710 1.00 0.00 H new ATOM 0 HH21 ARG B 632 3.277 14.441 -11.185 1.00 0.00 H new ATOM 0 HH22 ARG B 632 4.708 15.306 -11.755 1.00 0.00 H new ATOM 1549 N GLY B 633 9.127 7.761 -9.005 1.00 0.00 N ATOM 1550 CA GLY B 633 9.515 6.451 -8.411 1.00 0.00 C ATOM 1551 C GLY B 633 8.264 5.577 -8.358 1.00 0.00 C ATOM 1552 O GLY B 633 7.240 5.933 -8.905 1.00 0.00 O ATOM 0 H GLY B 633 9.492 7.935 -9.941 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.290 5.974 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.926 6.591 -7.411 1.00 0.00 H new ATOM 1556 N VAL B 634 8.308 4.449 -7.706 1.00 0.00 N ATOM 1557 CA VAL B 634 7.099 3.587 -7.628 1.00 0.00 C ATOM 1558 C VAL B 634 6.143 4.157 -6.585 1.00 0.00 C ATOM 1559 O VAL B 634 6.574 4.621 -5.547 1.00 0.00 O ATOM 1560 CB VAL B 634 7.545 2.195 -7.171 1.00 0.00 C ATOM 1561 CG1 VAL B 634 6.326 1.312 -6.890 1.00 0.00 C ATOM 1562 CG2 VAL B 634 8.391 1.553 -8.273 1.00 0.00 C ATOM 0 H VAL B 634 9.131 4.087 -7.224 1.00 0.00 H new ATOM 0 HA VAL B 634 6.601 3.541 -8.597 1.00 0.00 H new ATOM 0 HB VAL B 634 8.130 2.291 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL B 634 6.658 0.326 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL B 634 5.720 1.767 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL B 634 5.730 1.214 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL B 634 8.712 0.561 -7.954 1.00 0.00 H new ATOM 0 HG22 VAL B 634 7.798 1.467 -9.184 1.00 0.00 H new ATOM 0 HG23 VAL B 634 9.266 2.173 -8.467 1.00 0.00 H new ATOM 1572 N VAL B 635 4.854 4.111 -6.824 1.00 0.00 N ATOM 1573 CA VAL B 635 3.884 4.636 -5.802 1.00 0.00 C ATOM 1574 C VAL B 635 2.783 3.599 -5.572 1.00 0.00 C ATOM 1575 O VAL B 635 2.272 3.000 -6.496 1.00 0.00 O ATOM 1576 CB VAL B 635 3.272 5.953 -6.278 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.358 7.026 -6.358 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.650 5.752 -7.662 1.00 0.00 C ATOM 0 H VAL B 635 4.431 3.737 -7.674 1.00 0.00 H new ATOM 0 HA VAL B 635 4.412 4.820 -4.867 1.00 0.00 H new ATOM 0 HB VAL B 635 2.503 6.271 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.919 7.964 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.801 7.169 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.129 6.711 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.213 6.690 -8.004 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.420 5.433 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.873 4.989 -7.605 1.00 0.00 H new ATOM 1588 N ILE B 636 2.433 3.378 -4.328 1.00 0.00 N ATOM 1589 CA ILE B 636 1.378 2.372 -3.985 1.00 0.00 C ATOM 1590 C ILE B 636 0.155 3.089 -3.408 1.00 0.00 C ATOM 1591 O ILE B 636 0.282 4.057 -2.687 1.00 0.00 O ATOM 1592 CB ILE B 636 1.928 1.422 -2.912 1.00 0.00 C ATOM 1593 CG1 ILE B 636 3.342 0.956 -3.289 1.00 0.00 C ATOM 1594 CG2 ILE B 636 1.001 0.213 -2.763 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.346 0.285 -4.665 1.00 0.00 C ATOM 0 H ILE B 636 2.839 3.858 -3.525 1.00 0.00 H new ATOM 0 HA ILE B 636 1.099 1.820 -4.882 1.00 0.00 H new ATOM 0 HB ILE B 636 1.976 1.954 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE B 636 4.021 1.808 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.712 0.258 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.397 -0.457 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE B 636 0.007 0.551 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.938 -0.316 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.358 -0.036 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE B 636 2.684 -0.581 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.999 0.994 -5.417 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.029 2.614 -3.692 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.248 3.264 -3.122 1.00 0.00 C ATOM 1609 C ASN B 637 -2.544 2.620 -1.764 1.00 0.00 C ATOM 1610 O ASN B 637 -2.562 1.413 -1.627 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.439 3.075 -4.065 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.546 1.602 -4.462 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -2.550 0.957 -4.719 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -4.722 1.041 -4.524 1.00 0.00 N ATOM 0 H ASN B 637 -1.206 1.808 -4.291 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.078 4.334 -3.001 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -4.358 3.399 -3.577 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -3.315 3.694 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -4.806 0.059 -4.789 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -5.558 1.584 -4.308 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.743 3.425 -0.756 1.00 0.00 N ATOM 1622 CA ALA B 638 -3.002 2.879 0.608 1.00 0.00 C ATOM 1623 C ALA B 638 -4.049 1.759 0.556 1.00 0.00 C ATOM 1624 O ALA B 638 -4.238 1.035 1.511 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.505 4.003 1.519 1.00 0.00 C ATOM 0 H ALA B 638 -2.737 4.443 -0.819 1.00 0.00 H new ATOM 0 HA ALA B 638 -2.072 2.468 1.001 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.695 3.606 2.516 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.751 4.788 1.579 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.428 4.416 1.111 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.746 1.627 -0.539 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.797 0.573 -0.637 1.00 0.00 C ATOM 1633 C GLU B 639 -5.183 -0.781 -1.005 1.00 0.00 C ATOM 1634 O GLU B 639 -5.725 -1.816 -0.669 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.817 0.982 -1.700 1.00 0.00 C ATOM 1636 CG GLU B 639 -8.051 0.089 -1.597 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.863 0.478 -0.360 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -9.168 1.651 -0.221 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.166 -0.403 0.427 1.00 0.00 O ATOM 0 H GLU B 639 -4.633 2.204 -1.372 1.00 0.00 H new ATOM 0 HA GLU B 639 -6.285 0.473 0.332 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -7.099 2.026 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.376 0.897 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -8.663 0.192 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -7.751 -0.957 -1.534 1.00 0.00 H new ATOM 1646 N ASP B 640 -4.047 -0.814 -1.651 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.434 -2.140 -1.978 1.00 0.00 C ATOM 1648 C ASP B 640 -2.637 -2.608 -0.761 1.00 0.00 C ATOM 1649 O ASP B 640 -2.844 -3.697 -0.265 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.533 -2.029 -3.210 1.00 0.00 C ATOM 1651 CG ASP B 640 -3.390 -2.077 -4.478 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -4.596 -1.938 -4.360 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.824 -2.251 -5.545 1.00 0.00 O ATOM 0 H ASP B 640 -3.523 0.003 -1.963 1.00 0.00 H new ATOM 0 HA ASP B 640 -4.214 -2.865 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -1.967 -1.098 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.808 -2.843 -3.218 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.768 -1.794 -0.236 1.00 0.00 N ATOM 1659 CA VAL B 641 -1.026 -2.216 0.984 1.00 0.00 C ATOM 1660 C VAL B 641 -2.055 -2.640 2.041 1.00 0.00 C ATOM 1661 O VAL B 641 -1.955 -3.704 2.619 1.00 0.00 O ATOM 1662 CB VAL B 641 -0.175 -1.049 1.504 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -1.080 0.091 1.977 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.701 -1.527 2.667 1.00 0.00 C ATOM 0 H VAL B 641 -1.540 -0.866 -0.592 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.360 -3.048 0.758 1.00 0.00 H new ATOM 0 HB VAL B 641 0.461 -0.687 0.696 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.467 0.914 2.344 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.693 0.438 1.145 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.726 -0.266 2.779 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.304 -0.696 3.034 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.066 -1.898 3.472 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.357 -2.327 2.324 1.00 0.00 H new ATOM 1674 N GLN B 642 -3.045 -1.827 2.296 1.00 0.00 N ATOM 1675 CA GLN B 642 -4.070 -2.205 3.310 1.00 0.00 C ATOM 1676 C GLN B 642 -4.654 -3.576 2.953 1.00 0.00 C ATOM 1677 O GLN B 642 -5.022 -4.346 3.819 1.00 0.00 O ATOM 1678 CB GLN B 642 -5.186 -1.155 3.332 1.00 0.00 C ATOM 1679 CG GLN B 642 -6.153 -1.438 4.489 1.00 0.00 C ATOM 1680 CD GLN B 642 -7.086 -2.593 4.116 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -7.077 -3.628 4.752 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -7.900 -2.457 3.105 1.00 0.00 N ATOM 0 H GLN B 642 -3.188 -0.922 1.848 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.608 -2.253 4.296 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.757 -0.159 3.442 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.726 -1.167 2.385 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -5.593 -1.688 5.390 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -6.737 -0.545 4.714 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -7.908 -1.588 2.570 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -8.528 -3.219 2.850 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.730 -3.897 1.686 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.276 -5.229 1.288 1.00 0.00 C ATOM 1693 C LEU B 643 -4.171 -6.287 1.412 1.00 0.00 C ATOM 1694 O LEU B 643 -4.444 -7.447 1.638 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.785 -5.176 -0.164 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.203 -4.574 -0.217 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.512 -4.122 -1.651 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -8.254 -5.618 0.210 1.00 0.00 C ATOM 0 H LEU B 643 -4.439 -3.297 0.914 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.107 -5.490 1.944 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.106 -4.578 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.793 -6.179 -0.590 1.00 0.00 H new ATOM 0 HG LEU B 643 -7.244 -3.726 0.466 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.515 -3.696 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.786 -3.370 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.455 -4.979 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -9.248 -5.173 0.166 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.210 -6.475 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -8.048 -5.946 1.229 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.928 -5.903 1.286 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.824 -6.905 1.419 1.00 0.00 C ATOM 1712 C ALA B 644 -1.441 -7.051 2.894 1.00 0.00 C ATOM 1713 O ALA B 644 -1.140 -8.135 3.352 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.608 -6.462 0.603 1.00 0.00 C ATOM 0 H ALA B 644 -2.628 -4.946 1.098 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.167 -7.867 1.039 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.188 -7.199 0.708 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.887 -6.375 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.258 -5.496 0.966 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.466 -5.992 3.653 1.00 0.00 N ATOM 1721 CA LEU B 645 -1.120 -6.125 5.097 1.00 0.00 C ATOM 1722 C LEU B 645 -2.291 -6.800 5.815 1.00 0.00 C ATOM 1723 O LEU B 645 -2.188 -7.924 6.264 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.871 -4.740 5.707 1.00 0.00 C ATOM 1725 CG LEU B 645 0.517 -4.210 5.299 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.671 -2.763 5.798 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.634 -5.087 5.912 1.00 0.00 C ATOM 0 H LEU B 645 -1.708 -5.051 3.343 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.215 -6.722 5.207 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.643 -4.046 5.375 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.940 -4.797 6.793 1.00 0.00 H new ATOM 0 HG LEU B 645 0.604 -4.243 4.213 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.652 -2.382 5.512 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.104 -2.140 5.352 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.575 -2.740 6.884 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.607 -4.698 5.613 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.555 -5.070 6.999 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.528 -6.112 5.556 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.401 -6.124 5.934 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.576 -6.729 6.628 1.00 0.00 C ATOM 1741 C ASN B 646 -4.833 -8.146 6.099 1.00 0.00 C ATOM 1742 O ASN B 646 -5.631 -8.881 6.644 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.814 -5.866 6.380 1.00 0.00 C ATOM 1744 CG ASN B 646 -7.000 -6.440 7.158 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -8.094 -6.537 6.639 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -6.827 -6.827 8.392 1.00 0.00 N ATOM 0 H ASN B 646 -3.546 -5.178 5.581 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.367 -6.780 7.697 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.623 -4.839 6.692 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.043 -5.838 5.315 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -7.610 -7.211 8.921 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -5.908 -6.746 8.828 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.167 -8.539 5.046 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.386 -9.908 4.498 1.00 0.00 C ATOM 1755 C LYS B 647 -3.659 -10.933 5.383 1.00 0.00 C ATOM 1756 O LYS B 647 -4.263 -11.589 6.208 1.00 0.00 O ATOM 1757 CB LYS B 647 -3.849 -9.973 3.044 1.00 0.00 C ATOM 1758 CG LYS B 647 -5.015 -9.983 2.037 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.653 -11.387 1.974 1.00 0.00 C ATOM 1760 CE LYS B 647 -4.930 -12.254 0.936 1.00 0.00 C ATOM 1761 NZ LYS B 647 -5.148 -11.684 -0.425 1.00 0.00 N ATOM 0 H LYS B 647 -3.483 -7.973 4.544 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.451 -10.139 4.491 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -3.201 -9.118 2.851 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.241 -10.869 2.914 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -5.764 -9.248 2.330 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -4.655 -9.695 1.049 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -5.601 -11.862 2.954 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -6.709 -11.303 1.716 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -3.864 -12.294 1.159 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -5.303 -13.277 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -5.116 -12.448 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -6.077 -11.217 -0.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -4.403 -10.989 -0.634 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.378 -11.102 5.193 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.613 -12.109 5.989 1.00 0.00 C ATOM 1777 C HIS B 648 -1.663 -11.804 7.494 1.00 0.00 C ATOM 1778 O HIS B 648 -0.781 -12.196 8.233 1.00 0.00 O ATOM 1779 CB HIS B 648 -0.155 -12.067 5.536 1.00 0.00 C ATOM 1780 CG HIS B 648 0.355 -10.662 5.687 1.00 0.00 C ATOM 1781 ND1 HIS B 648 0.140 -9.920 6.838 1.00 0.00 N ATOM 1782 CD2 HIS B 648 1.052 -9.842 4.837 1.00 0.00 C ATOM 1783 CE1 HIS B 648 0.696 -8.711 6.650 1.00 0.00 C ATOM 1784 NE2 HIS B 648 1.266 -8.610 5.447 1.00 0.00 N ATOM 0 H HIS B 648 -1.823 -10.581 4.514 1.00 0.00 H new ATOM 0 HA HIS B 648 -2.060 -13.090 5.825 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.446 -12.753 6.132 1.00 0.00 H new ATOM 0 HB3 HIS B 648 -0.072 -12.390 4.498 1.00 0.00 H new ATOM 0 HD1 HIS B 648 -0.351 -10.234 7.675 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.384 -10.111 3.845 1.00 0.00 H new ATOM 0 HE1 HIS B 648 0.683 -7.918 7.383 1.00 0.00 H new ATOM 1792 N MET B 649 -2.670 -11.113 7.967 1.00 0.00 N ATOM 1793 CA MET B 649 -2.740 -10.800 9.430 1.00 0.00 C ATOM 1794 C MET B 649 -3.581 -11.869 10.134 1.00 0.00 C ATOM 1795 O MET B 649 -4.796 -11.838 10.100 1.00 0.00 O ATOM 1796 CB MET B 649 -3.386 -9.419 9.623 1.00 0.00 C ATOM 1797 CG MET B 649 -2.335 -8.323 9.413 1.00 0.00 C ATOM 1798 SD MET B 649 -1.194 -8.308 10.818 1.00 0.00 S ATOM 1799 CE MET B 649 -0.634 -6.596 10.637 1.00 0.00 C ATOM 0 H MET B 649 -3.443 -10.753 7.408 1.00 0.00 H new ATOM 0 HA MET B 649 -1.737 -10.791 9.856 1.00 0.00 H new ATOM 0 HB2 MET B 649 -4.207 -9.289 8.918 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.811 -9.342 10.624 1.00 0.00 H new ATOM 0 HG2 MET B 649 -1.787 -8.501 8.488 1.00 0.00 H new ATOM 0 HG3 MET B 649 -2.821 -7.352 9.314 1.00 0.00 H new ATOM 0 HE1 MET B 649 0.091 -6.366 11.417 1.00 0.00 H new ATOM 0 HE2 MET B 649 -0.169 -6.467 9.660 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.487 -5.923 10.725 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.946 -12.812 10.773 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.710 -13.880 11.477 1.00 0.00 C ATOM 1811 C ASN B 650 -4.700 -14.524 10.506 1.00 0.00 C ATOM 1812 O ASN B 650 -4.336 -14.707 9.355 1.00 0.00 O ATOM 1813 CB ASN B 650 -4.476 -13.267 12.653 1.00 0.00 C ATOM 1814 CG ASN B 650 -5.083 -14.385 13.503 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -6.264 -14.372 13.789 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -4.320 -15.356 13.922 1.00 0.00 N ATOM 1817 OXT ASN B 650 -5.804 -14.825 10.928 1.00 0.00 O ATOM 0 H ASN B 650 -1.931 -12.889 10.838 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.019 -14.637 11.847 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -3.806 -12.657 13.259 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -5.262 -12.607 12.285 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -4.714 -16.106 14.490 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -3.329 -15.366 13.681 1.00 0.00 H new