USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 MET CE :methyl -149:sc= 0 (180deg=0) USER MOD Set 1.2: A 102 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.0028) USER MOD Set 2.1: A 83 LYS NZ :NH3+ 137:sc= 1.08 (180deg=-0.262) USER MOD Set 2.2: A 87 GLN : amide:sc= -3.72! C(o=-2.6!,f=-11!) USER MOD Set 3.1: A 55 SER OG : rot 180:sc= 0.417 USER MOD Set 3.2: A 74 THR OG1 : rot 126:sc= 0.443 USER MOD Set 4.1: A 33 SER OG : rot 130:sc= -0.0842 USER MOD Set 4.2: A 35 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-2.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.03 K(o=-2,f=-10!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.83! K(o=-1.8!,f=0) USER MOD Single : A 59 MET CE :methyl -140:sc= -0.11 (180deg=-0.558) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.442 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -30:sc= -2.5! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.0803 K(o=0.08,f=-5.6!) USER MOD Single : A 98 MET CE :methyl 145:sc= -0.548 (180deg=-2.29!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.773 3.897 -4.959 1.00 0.00 N ATOM 360 CA PRO A 26 -13.327 3.610 -4.880 1.00 0.00 C ATOM 361 C PRO A 26 -12.897 2.973 -3.542 1.00 0.00 C ATOM 362 O PRO A 26 -13.449 3.278 -2.480 1.00 0.00 O ATOM 363 CB PRO A 26 -12.696 4.997 -5.048 1.00 0.00 C ATOM 364 CG PRO A 26 -13.708 5.938 -4.486 1.00 0.00 C ATOM 365 CD PRO A 26 -15.059 5.338 -4.793 1.00 0.00 C ATOM 0 HA PRO A 26 -13.019 2.880 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.748 5.069 -4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.490 5.215 -6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.572 6.060 -3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.611 6.927 -4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.769 5.515 -3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.492 5.767 -5.697 1.00 0.00 H new ATOM 373 N MET A 27 -11.900 2.089 -3.604 1.00 0.00 N ATOM 374 CA MET A 27 -11.382 1.390 -2.417 1.00 0.00 C ATOM 375 C MET A 27 -10.035 1.980 -1.966 1.00 0.00 C ATOM 376 O MET A 27 -9.073 2.016 -2.734 1.00 0.00 O ATOM 377 CB MET A 27 -11.220 -0.102 -2.736 1.00 0.00 C ATOM 378 CG MET A 27 -10.626 -0.931 -1.603 1.00 0.00 C ATOM 379 SD MET A 27 -11.668 -0.965 -0.133 1.00 0.00 S ATOM 380 CE MET A 27 -10.762 -2.129 0.886 1.00 0.00 C ATOM 0 H MET A 27 -11.428 1.835 -4.472 1.00 0.00 H new ATOM 0 HA MET A 27 -12.094 1.519 -1.601 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.195 -0.513 -2.997 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.585 -0.205 -3.616 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.466 -1.951 -1.952 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.648 -0.528 -1.339 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.459 -2.674 1.523 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.227 -2.832 0.247 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.048 -1.589 1.508 1.00 0.00 H new ATOM 390 N ARG A 28 -9.969 2.437 -0.716 1.00 0.00 N ATOM 391 CA ARG A 28 -8.731 3.002 -0.162 1.00 0.00 C ATOM 392 C ARG A 28 -7.983 1.972 0.704 1.00 0.00 C ATOM 393 O ARG A 28 -8.597 1.218 1.458 1.00 0.00 O ATOM 394 CB ARG A 28 -9.047 4.246 0.686 1.00 0.00 C ATOM 395 CG ARG A 28 -7.803 4.952 1.230 1.00 0.00 C ATOM 396 CD ARG A 28 -8.152 6.082 2.197 1.00 0.00 C ATOM 397 NE ARG A 28 -9.056 7.065 1.601 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.805 8.346 1.519 1.00 0.00 C ATOM 399 NH1 ARG A 28 -7.678 8.830 1.939 1.00 0.00 N ATOM 400 NH2 ARG A 28 -9.679 9.145 1.004 1.00 0.00 N ATOM 0 H ARG A 28 -10.755 2.429 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.092 3.280 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.619 4.951 0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.682 3.953 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.169 4.225 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.224 5.354 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.614 5.662 3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.236 6.580 2.515 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.942 6.729 1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.974 8.210 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.495 9.831 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.566 8.777 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.482 10.144 0.941 1.00 0.00 H new ATOM 414 N LEU A 29 -6.656 1.950 0.587 1.00 0.00 N ATOM 415 CA LEU A 29 -5.812 1.065 1.399 1.00 0.00 C ATOM 416 C LEU A 29 -4.797 1.867 2.234 1.00 0.00 C ATOM 417 O LEU A 29 -4.094 2.738 1.718 1.00 0.00 O ATOM 418 CB LEU A 29 -5.070 0.059 0.502 1.00 0.00 C ATOM 419 CG LEU A 29 -5.963 -0.933 -0.266 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.110 -1.908 -1.077 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.884 -1.689 0.690 1.00 0.00 C ATOM 0 H LEU A 29 -6.137 2.538 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.465 0.523 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.472 0.615 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.376 -0.509 1.121 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.586 -0.365 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.759 -2.601 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.503 -1.353 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.458 -2.467 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.505 -2.384 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.284 -2.244 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.522 -0.980 1.218 1.00 0.00 H new ATOM 433 N TYR A 30 -4.746 1.575 3.527 1.00 0.00 N ATOM 434 CA TYR A 30 -3.771 2.179 4.440 1.00 0.00 C ATOM 435 C TYR A 30 -2.494 1.325 4.543 1.00 0.00 C ATOM 436 O TYR A 30 -2.521 0.210 5.067 1.00 0.00 O ATOM 437 CB TYR A 30 -4.404 2.355 5.833 1.00 0.00 C ATOM 438 CG TYR A 30 -3.400 2.645 6.940 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.871 3.918 7.111 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.978 1.638 7.805 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.952 4.179 8.108 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.062 1.893 8.806 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.550 3.162 8.953 1.00 0.00 C ATOM 444 OH TYR A 30 -0.623 3.413 9.942 1.00 0.00 O ATOM 0 H TYR A 30 -5.378 0.913 3.977 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.489 3.154 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.128 3.169 5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.956 1.450 6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.183 4.716 6.454 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.374 0.640 7.691 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.549 5.174 8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.749 1.101 9.470 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.452 2.591 10.447 1.00 0.00 H new ATOM 454 N VAL A 31 -1.377 1.850 4.044 1.00 0.00 N ATOM 455 CA VAL A 31 -0.085 1.167 4.154 1.00 0.00 C ATOM 456 C VAL A 31 0.784 1.817 5.245 1.00 0.00 C ATOM 457 O VAL A 31 1.406 2.860 5.025 1.00 0.00 O ATOM 458 CB VAL A 31 0.682 1.183 2.807 1.00 0.00 C ATOM 459 CG1 VAL A 31 2.005 0.426 2.927 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.177 0.597 1.687 1.00 0.00 C ATOM 0 H VAL A 31 -1.338 2.746 3.559 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.290 0.131 4.425 1.00 0.00 H new ATOM 0 HB VAL A 31 0.906 2.220 2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.526 0.450 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.625 0.896 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.808 -0.609 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.381 0.618 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.439 -0.433 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.087 1.187 1.580 1.00 0.00 H new ATOM 470 N GLY A 32 0.813 1.205 6.426 1.00 0.00 N ATOM 471 CA GLY A 32 1.584 1.752 7.537 1.00 0.00 C ATOM 472 C GLY A 32 2.861 0.975 7.817 1.00 0.00 C ATOM 473 O GLY A 32 2.863 0.043 8.623 1.00 0.00 O ATOM 0 H GLY A 32 0.317 0.339 6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.837 2.790 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.965 1.757 8.434 1.00 0.00 H new ATOM 477 N SER A 33 3.955 1.362 7.156 1.00 0.00 N ATOM 478 CA SER A 33 5.256 0.701 7.353 1.00 0.00 C ATOM 479 C SER A 33 6.390 1.398 6.575 1.00 0.00 C ATOM 480 O SER A 33 7.403 0.781 6.242 1.00 0.00 O ATOM 481 CB SER A 33 5.178 -0.776 6.935 1.00 0.00 C ATOM 482 OG SER A 33 6.377 -1.468 7.242 1.00 0.00 O ATOM 0 H SER A 33 3.970 2.127 6.481 1.00 0.00 H new ATOM 0 HA SER A 33 5.488 0.771 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.340 -1.255 7.442 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.982 -0.842 5.865 1.00 0.00 H new ATOM 0 HG SER A 33 6.164 -2.293 7.726 1.00 0.00 H new ATOM 488 N LEU A 34 6.243 2.689 6.295 1.00 0.00 N ATOM 489 CA LEU A 34 7.313 3.436 5.627 1.00 0.00 C ATOM 490 C LEU A 34 8.502 3.598 6.587 1.00 0.00 C ATOM 491 O LEU A 34 8.433 4.358 7.552 1.00 0.00 O ATOM 492 CB LEU A 34 6.817 4.816 5.161 1.00 0.00 C ATOM 493 CG LEU A 34 5.541 4.814 4.296 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.227 6.223 3.797 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.669 3.844 3.124 1.00 0.00 C ATOM 0 H LEU A 34 5.410 3.236 6.514 1.00 0.00 H new ATOM 0 HA LEU A 34 7.629 2.878 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.635 5.432 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.616 5.296 4.596 1.00 0.00 H new ATOM 0 HG LEU A 34 4.714 4.476 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.323 6.200 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.074 6.885 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.059 6.590 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.754 3.865 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.512 4.138 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.833 2.835 3.503 1.00 0.00 H new ATOM 507 N HIS A 35 9.585 2.869 6.332 1.00 0.00 N ATOM 508 CA HIS A 35 10.732 2.829 7.255 1.00 0.00 C ATOM 509 C HIS A 35 11.621 4.084 7.122 1.00 0.00 C ATOM 510 O HIS A 35 12.848 3.984 7.099 1.00 0.00 O ATOM 511 CB HIS A 35 11.562 1.557 6.998 1.00 0.00 C ATOM 512 CG HIS A 35 10.736 0.312 6.832 1.00 0.00 C ATOM 513 ND1 HIS A 35 9.825 -0.123 7.769 1.00 0.00 N ATOM 514 CD2 HIS A 35 10.680 -0.590 5.818 1.00 0.00 C ATOM 515 CE1 HIS A 35 9.245 -1.225 7.343 1.00 0.00 C ATOM 516 NE2 HIS A 35 9.745 -1.532 6.165 1.00 0.00 N ATOM 0 H HIS A 35 9.699 2.296 5.496 1.00 0.00 H new ATOM 0 HA HIS A 35 10.343 2.812 8.273 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.164 1.703 6.101 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.255 1.413 7.827 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.263 -0.569 4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.486 -1.783 7.871 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.480 -2.340 5.601 1.00 0.00 H new ATOM 525 N PHE A 36 10.987 5.260 7.057 1.00 0.00 N ATOM 526 CA PHE A 36 11.695 6.539 6.874 1.00 0.00 C ATOM 527 C PHE A 36 12.481 6.579 5.549 1.00 0.00 C ATOM 528 O PHE A 36 13.346 7.435 5.355 1.00 0.00 O ATOM 529 CB PHE A 36 12.633 6.819 8.061 1.00 0.00 C ATOM 530 CG PHE A 36 11.919 6.930 9.389 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.391 8.143 9.811 1.00 0.00 C ATOM 532 CD2 PHE A 36 11.772 5.822 10.212 1.00 0.00 C ATOM 533 CE1 PHE A 36 10.736 8.248 11.024 1.00 0.00 C ATOM 534 CE2 PHE A 36 11.117 5.923 11.426 1.00 0.00 C ATOM 535 CZ PHE A 36 10.598 7.137 11.831 1.00 0.00 C ATOM 0 H PHE A 36 9.974 5.356 7.129 1.00 0.00 H new ATOM 0 HA PHE A 36 10.937 7.322 6.831 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.374 6.022 8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.176 7.745 7.872 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.493 9.016 9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.174 4.869 9.901 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.333 9.199 11.340 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.011 5.053 12.057 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.085 7.217 12.778 1.00 0.00 H new ATOM 545 N ASN A 37 12.152 5.667 4.633 1.00 0.00 N ATOM 546 CA ASN A 37 12.848 5.569 3.342 1.00 0.00 C ATOM 547 C ASN A 37 11.904 5.133 2.205 1.00 0.00 C ATOM 548 O ASN A 37 12.071 5.545 1.056 1.00 0.00 O ATOM 549 CB ASN A 37 14.014 4.580 3.450 1.00 0.00 C ATOM 550 CG ASN A 37 13.558 3.154 3.713 1.00 0.00 C ATOM 551 OD1 ASN A 37 12.524 2.918 4.332 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.318 2.192 3.234 1.00 0.00 N ATOM 0 H ASN A 37 11.406 4.982 4.759 1.00 0.00 H new ATOM 0 HA ASN A 37 13.223 6.563 3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.593 4.606 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.680 4.897 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.054 1.217 3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.171 2.422 2.724 1.00 0.00 H new ATOM 559 N ILE A 38 10.924 4.290 2.534 1.00 0.00 N ATOM 560 CA ILE A 38 9.985 3.757 1.538 1.00 0.00 C ATOM 561 C ILE A 38 9.180 4.877 0.855 1.00 0.00 C ATOM 562 O ILE A 38 8.627 5.757 1.519 1.00 0.00 O ATOM 563 CB ILE A 38 8.999 2.739 2.175 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.764 1.639 2.935 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.093 2.123 1.107 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.699 0.821 2.066 1.00 0.00 C ATOM 0 H ILE A 38 10.757 3.959 3.484 1.00 0.00 H new ATOM 0 HA ILE A 38 10.590 3.249 0.787 1.00 0.00 H new ATOM 0 HB ILE A 38 8.373 3.275 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.341 2.100 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.044 0.969 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.410 1.413 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.519 2.910 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.703 1.606 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.199 0.069 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.127 0.328 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.444 1.477 1.616 1.00 0.00 H new ATOM 578 N THR A 39 9.117 4.832 -0.474 1.00 0.00 N ATOM 579 CA THR A 39 8.410 5.852 -1.259 1.00 0.00 C ATOM 580 C THR A 39 7.224 5.257 -2.027 1.00 0.00 C ATOM 581 O THR A 39 7.078 4.035 -2.126 1.00 0.00 O ATOM 582 CB THR A 39 9.351 6.536 -2.277 1.00 0.00 C ATOM 583 OG1 THR A 39 9.886 5.564 -3.189 1.00 0.00 O ATOM 584 CG2 THR A 39 10.491 7.263 -1.572 1.00 0.00 C ATOM 0 H THR A 39 9.548 4.098 -1.036 1.00 0.00 H new ATOM 0 HA THR A 39 8.046 6.587 -0.541 1.00 0.00 H new ATOM 0 HB THR A 39 8.767 7.270 -2.832 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.479 6.009 -3.830 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.136 7.734 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.082 8.026 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.071 6.549 -0.988 1.00 0.00 H new ATOM 592 N GLU A 40 6.394 6.132 -2.594 1.00 0.00 N ATOM 593 CA GLU A 40 5.216 5.712 -3.363 1.00 0.00 C ATOM 594 C GLU A 40 5.604 4.879 -4.594 1.00 0.00 C ATOM 595 O GLU A 40 4.831 4.041 -5.041 1.00 0.00 O ATOM 596 CB GLU A 40 4.385 6.937 -3.788 1.00 0.00 C ATOM 597 CG GLU A 40 5.223 8.132 -4.222 1.00 0.00 C ATOM 598 CD GLU A 40 4.416 9.189 -4.955 1.00 0.00 C ATOM 599 OE1 GLU A 40 3.856 10.082 -4.287 1.00 0.00 O ATOM 600 OE2 GLU A 40 4.342 9.132 -6.203 1.00 0.00 O ATOM 0 H GLU A 40 6.514 7.143 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 40 4.611 5.079 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.727 6.650 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.746 7.236 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.687 8.581 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.031 7.787 -4.868 1.00 0.00 H new ATOM 607 N ASP A 41 6.801 5.110 -5.134 1.00 0.00 N ATOM 608 CA ASP A 41 7.298 4.342 -6.287 1.00 0.00 C ATOM 609 C ASP A 41 7.409 2.842 -5.961 1.00 0.00 C ATOM 610 O ASP A 41 7.078 1.988 -6.786 1.00 0.00 O ATOM 611 CB ASP A 41 8.661 4.882 -6.725 1.00 0.00 C ATOM 612 CG ASP A 41 8.601 6.353 -7.076 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.696 7.190 -6.153 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.450 6.683 -8.272 1.00 0.00 O ATOM 0 H ASP A 41 7.448 5.822 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 41 6.581 4.457 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.386 4.729 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.015 4.317 -7.588 1.00 0.00 H new ATOM 619 N MET A 42 7.867 2.534 -4.748 1.00 0.00 N ATOM 620 CA MET A 42 7.993 1.143 -4.296 1.00 0.00 C ATOM 621 C MET A 42 6.609 0.490 -4.181 1.00 0.00 C ATOM 622 O MET A 42 6.350 -0.569 -4.761 1.00 0.00 O ATOM 623 CB MET A 42 8.707 1.089 -2.939 1.00 0.00 C ATOM 624 CG MET A 42 10.078 1.752 -2.932 1.00 0.00 C ATOM 625 SD MET A 42 10.862 1.685 -1.308 1.00 0.00 S ATOM 626 CE MET A 42 12.387 2.569 -1.626 1.00 0.00 C ATOM 0 H MET A 42 8.158 3.227 -4.058 1.00 0.00 H new ATOM 0 HA MET A 42 8.582 0.594 -5.031 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.078 1.571 -2.190 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.818 0.047 -2.640 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.720 1.262 -3.664 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.978 2.792 -3.242 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.981 2.611 -0.713 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.952 2.053 -2.403 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.158 3.582 -1.956 1.00 0.00 H new ATOM 636 N LEU A 43 5.727 1.147 -3.432 1.00 0.00 N ATOM 637 CA LEU A 43 4.346 0.691 -3.253 1.00 0.00 C ATOM 638 C LEU A 43 3.638 0.527 -4.609 1.00 0.00 C ATOM 639 O LEU A 43 3.125 -0.541 -4.929 1.00 0.00 O ATOM 640 CB LEU A 43 3.596 1.701 -2.376 1.00 0.00 C ATOM 641 CG LEU A 43 4.266 2.001 -1.022 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.590 3.178 -0.326 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.255 0.761 -0.129 1.00 0.00 C ATOM 0 H LEU A 43 5.946 2.009 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 43 4.354 -0.284 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.492 2.635 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.589 1.325 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 43 5.304 2.276 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.082 3.369 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.664 4.064 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.540 2.943 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.733 0.994 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.226 0.449 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.799 -0.046 -0.620 1.00 0.00 H new ATOM 655 N ARG A 44 3.637 1.596 -5.402 1.00 0.00 N ATOM 656 CA ARG A 44 3.077 1.582 -6.762 1.00 0.00 C ATOM 657 C ARG A 44 3.593 0.384 -7.573 1.00 0.00 C ATOM 658 O ARG A 44 2.817 -0.328 -8.206 1.00 0.00 O ATOM 659 CB ARG A 44 3.446 2.896 -7.465 1.00 0.00 C ATOM 660 CG ARG A 44 2.915 3.050 -8.887 1.00 0.00 C ATOM 661 CD ARG A 44 3.316 4.403 -9.472 1.00 0.00 C ATOM 662 NE ARG A 44 2.877 4.577 -10.853 1.00 0.00 N ATOM 663 CZ ARG A 44 3.194 5.605 -11.595 1.00 0.00 C ATOM 664 NH1 ARG A 44 3.901 6.580 -11.109 1.00 0.00 N ATOM 665 NH2 ARG A 44 2.784 5.670 -12.819 1.00 0.00 N ATOM 0 H ARG A 44 4.023 2.499 -5.125 1.00 0.00 H new ATOM 0 HA ARG A 44 1.994 1.485 -6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.074 3.726 -6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.532 2.982 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.304 2.248 -9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.829 2.956 -8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.893 5.198 -8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.400 4.507 -9.425 1.00 0.00 H new ATOM 0 HE ARG A 44 2.287 3.853 -11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.215 6.548 -10.139 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.143 7.377 -11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.213 4.919 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.032 6.473 -13.398 1.00 0.00 H new ATOM 679 N GLY A 45 4.903 0.158 -7.524 1.00 0.00 N ATOM 680 CA GLY A 45 5.508 -0.956 -8.246 1.00 0.00 C ATOM 681 C GLY A 45 4.983 -2.329 -7.818 1.00 0.00 C ATOM 682 O GLY A 45 4.901 -3.246 -8.636 1.00 0.00 O ATOM 0 H GLY A 45 5.562 0.728 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.328 -0.825 -9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.588 -0.928 -8.099 1.00 0.00 H new ATOM 686 N ILE A 46 4.645 -2.475 -6.535 1.00 0.00 N ATOM 687 CA ILE A 46 4.123 -3.745 -6.005 1.00 0.00 C ATOM 688 C ILE A 46 2.592 -3.871 -6.179 1.00 0.00 C ATOM 689 O ILE A 46 2.079 -4.942 -6.509 1.00 0.00 O ATOM 690 CB ILE A 46 4.484 -3.909 -4.505 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.005 -3.791 -4.303 1.00 0.00 C ATOM 692 CG2 ILE A 46 3.977 -5.248 -3.970 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.442 -3.888 -2.854 1.00 0.00 C ATOM 0 H ILE A 46 4.722 -1.732 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 46 4.596 -4.538 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 46 3.996 -3.111 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.500 -4.576 -4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.343 -2.839 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.241 -5.342 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.893 -5.296 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.435 -6.062 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.526 -3.796 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.978 -3.087 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.137 -4.851 -2.446 1.00 0.00 H new ATOM 705 N PHE A 47 1.870 -2.774 -5.958 1.00 0.00 N ATOM 706 CA PHE A 47 0.399 -2.774 -6.029 1.00 0.00 C ATOM 707 C PHE A 47 -0.124 -2.753 -7.479 1.00 0.00 C ATOM 708 O PHE A 47 -1.186 -3.312 -7.764 1.00 0.00 O ATOM 709 CB PHE A 47 -0.176 -1.579 -5.252 1.00 0.00 C ATOM 710 CG PHE A 47 -0.152 -1.743 -3.747 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.007 -1.504 -3.019 1.00 0.00 C ATOM 712 CD2 PHE A 47 -1.296 -2.133 -3.060 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.023 -1.647 -1.644 1.00 0.00 C ATOM 714 CE2 PHE A 47 -1.283 -2.278 -1.685 1.00 0.00 C ATOM 715 CZ PHE A 47 -0.124 -2.035 -0.978 1.00 0.00 C ATOM 0 H PHE A 47 2.276 -1.867 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 47 0.063 -3.705 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.387 -0.684 -5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.205 -1.415 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.907 -1.203 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.207 -2.325 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.931 -1.456 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.180 -2.581 -1.165 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.113 -2.148 0.096 1.00 0.00 H new ATOM 725 N GLU A 48 0.619 -2.113 -8.387 1.00 0.00 N ATOM 726 CA GLU A 48 0.201 -2.002 -9.798 1.00 0.00 C ATOM 727 C GLU A 48 -0.152 -3.382 -10.410 1.00 0.00 C ATOM 728 O GLU A 48 -1.204 -3.526 -11.034 1.00 0.00 O ATOM 729 CB GLU A 48 1.293 -1.282 -10.618 1.00 0.00 C ATOM 730 CG GLU A 48 0.843 -0.749 -11.983 1.00 0.00 C ATOM 731 CD GLU A 48 0.745 -1.819 -13.061 1.00 0.00 C ATOM 732 OE1 GLU A 48 1.804 -2.319 -13.504 1.00 0.00 O ATOM 733 OE2 GLU A 48 -0.381 -2.144 -13.491 1.00 0.00 O ATOM 0 H GLU A 48 1.510 -1.664 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.711 -1.406 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.676 -0.448 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.123 -1.972 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.129 -0.269 -11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.543 0.020 -12.311 1.00 0.00 H new ATOM 740 N PRO A 49 0.710 -4.422 -10.247 1.00 0.00 N ATOM 741 CA PRO A 49 0.398 -5.795 -10.707 1.00 0.00 C ATOM 742 C PRO A 49 -1.025 -6.270 -10.343 1.00 0.00 C ATOM 743 O PRO A 49 -1.618 -7.089 -11.052 1.00 0.00 O ATOM 744 CB PRO A 49 1.446 -6.642 -9.979 1.00 0.00 C ATOM 745 CG PRO A 49 2.623 -5.737 -9.849 1.00 0.00 C ATOM 746 CD PRO A 49 2.061 -4.352 -9.643 1.00 0.00 C ATOM 0 HA PRO A 49 0.427 -5.865 -11.794 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.086 -6.969 -9.004 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.695 -7.540 -10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.251 -6.032 -9.009 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.246 -5.776 -10.742 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.013 -4.094 -8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.677 -3.595 -10.128 1.00 0.00 H new ATOM 754 N PHE A 50 -1.566 -5.750 -9.243 1.00 0.00 N ATOM 755 CA PHE A 50 -2.931 -6.080 -8.814 1.00 0.00 C ATOM 756 C PHE A 50 -3.972 -5.209 -9.538 1.00 0.00 C ATOM 757 O PHE A 50 -4.965 -5.716 -10.067 1.00 0.00 O ATOM 758 CB PHE A 50 -3.074 -5.895 -7.296 1.00 0.00 C ATOM 759 CG PHE A 50 -2.197 -6.814 -6.476 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.628 -8.090 -6.138 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.948 -6.397 -6.033 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.833 -8.930 -5.379 1.00 0.00 C ATOM 763 CE2 PHE A 50 -0.152 -7.233 -5.271 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.594 -8.501 -4.945 1.00 0.00 C ATOM 0 H PHE A 50 -1.081 -5.096 -8.628 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.114 -7.123 -9.072 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.836 -4.862 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.115 -6.060 -7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.597 -8.431 -6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.594 -5.409 -6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.181 -9.921 -5.126 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.815 -6.895 -4.931 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.028 -9.155 -4.352 1.00 0.00 H new ATOM 774 N GLY A 51 -3.730 -3.898 -9.569 1.00 0.00 N ATOM 775 CA GLY A 51 -4.664 -2.965 -10.169 1.00 0.00 C ATOM 776 C GLY A 51 -4.056 -1.579 -10.342 1.00 0.00 C ATOM 777 O GLY A 51 -3.196 -1.164 -9.564 1.00 0.00 O ATOM 0 H GLY A 51 -2.891 -3.465 -9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.982 -3.345 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.556 -2.894 -9.546 1.00 0.00 H new ATOM 781 N ARG A 52 -4.495 -0.874 -11.372 1.00 0.00 N ATOM 782 CA ARG A 52 -3.985 0.470 -11.676 1.00 0.00 C ATOM 783 C ARG A 52 -4.368 1.466 -10.562 1.00 0.00 C ATOM 784 O ARG A 52 -5.546 1.755 -10.351 1.00 0.00 O ATOM 785 CB ARG A 52 -4.527 0.947 -13.044 1.00 0.00 C ATOM 786 CG ARG A 52 -3.643 1.980 -13.757 1.00 0.00 C ATOM 787 CD ARG A 52 -3.754 3.387 -13.161 1.00 0.00 C ATOM 788 NE ARG A 52 -4.912 4.127 -13.670 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.974 4.424 -12.969 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.126 3.968 -11.770 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.902 5.167 -13.482 1.00 0.00 N ATOM 0 H ARG A 52 -5.209 -1.206 -12.021 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.897 0.425 -11.727 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.647 0.081 -13.694 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.518 1.376 -12.898 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.604 1.654 -13.709 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.917 2.017 -14.811 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.824 3.313 -12.076 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.845 3.945 -13.385 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.887 4.433 -14.643 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.412 3.368 -11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.960 4.208 -11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.804 5.521 -14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.731 5.399 -12.934 1.00 0.00 H new ATOM 805 N ILE A 53 -3.365 1.996 -9.865 1.00 0.00 N ATOM 806 CA ILE A 53 -3.596 2.930 -8.753 1.00 0.00 C ATOM 807 C ILE A 53 -4.190 4.269 -9.236 1.00 0.00 C ATOM 808 O ILE A 53 -3.787 4.804 -10.267 1.00 0.00 O ATOM 809 CB ILE A 53 -2.287 3.229 -7.965 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.706 1.955 -7.312 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.536 4.298 -6.902 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.021 1.007 -8.277 1.00 0.00 C ATOM 0 H ILE A 53 -2.381 1.797 -10.047 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.311 2.434 -8.096 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.553 3.600 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.991 2.250 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.512 1.421 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.611 4.495 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.878 5.215 -7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.297 3.947 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.644 0.142 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.735 0.677 -9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.191 1.519 -8.763 1.00 0.00 H new ATOM 824 N GLU A 54 -5.161 4.795 -8.487 1.00 0.00 N ATOM 825 CA GLU A 54 -5.709 6.132 -8.746 1.00 0.00 C ATOM 826 C GLU A 54 -4.790 7.221 -8.167 1.00 0.00 C ATOM 827 O GLU A 54 -4.363 8.133 -8.873 1.00 0.00 O ATOM 828 CB GLU A 54 -7.109 6.265 -8.127 1.00 0.00 C ATOM 829 CG GLU A 54 -8.184 5.407 -8.791 1.00 0.00 C ATOM 830 CD GLU A 54 -8.572 5.896 -10.183 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.024 7.052 -10.309 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.465 5.115 -11.150 1.00 0.00 O ATOM 0 H GLU A 54 -5.586 4.316 -7.694 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.776 6.263 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.052 5.999 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.415 7.310 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.827 4.379 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.071 5.394 -8.158 1.00 0.00 H new ATOM 839 N SER A 55 -4.510 7.124 -6.867 1.00 0.00 N ATOM 840 CA SER A 55 -3.647 8.096 -6.175 1.00 0.00 C ATOM 841 C SER A 55 -2.917 7.462 -4.983 1.00 0.00 C ATOM 842 O SER A 55 -3.484 6.638 -4.261 1.00 0.00 O ATOM 843 CB SER A 55 -4.475 9.293 -5.683 1.00 0.00 C ATOM 844 OG SER A 55 -5.532 8.878 -4.828 1.00 0.00 O ATOM 0 H SER A 55 -4.867 6.381 -6.266 1.00 0.00 H new ATOM 0 HA SER A 55 -2.901 8.434 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.828 9.991 -5.151 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.886 9.829 -6.539 1.00 0.00 H new ATOM 0 HG SER A 55 -6.039 9.662 -4.530 1.00 0.00 H new ATOM 850 N ILE A 56 -1.654 7.837 -4.794 1.00 0.00 N ATOM 851 CA ILE A 56 -0.890 7.437 -3.607 1.00 0.00 C ATOM 852 C ILE A 56 -0.501 8.667 -2.779 1.00 0.00 C ATOM 853 O ILE A 56 -0.143 9.712 -3.326 1.00 0.00 O ATOM 854 CB ILE A 56 0.400 6.658 -3.976 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.059 5.436 -4.841 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.150 6.226 -2.711 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.260 4.598 -5.224 1.00 0.00 C ATOM 0 H ILE A 56 -1.133 8.420 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.537 6.780 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 56 1.048 7.320 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.651 4.809 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.440 5.774 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.052 5.681 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.424 7.108 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.509 5.582 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.936 3.755 -5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.963 5.208 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.747 4.227 -4.322 1.00 0.00 H new ATOM 869 N GLN A 57 -0.570 8.542 -1.461 1.00 0.00 N ATOM 870 CA GLN A 57 -0.244 9.647 -0.563 1.00 0.00 C ATOM 871 C GLN A 57 0.753 9.208 0.517 1.00 0.00 C ATOM 872 O GLN A 57 0.475 8.291 1.284 1.00 0.00 O ATOM 873 CB GLN A 57 -1.526 10.178 0.101 1.00 0.00 C ATOM 874 CG GLN A 57 -1.323 11.431 0.957 1.00 0.00 C ATOM 875 CD GLN A 57 -1.389 12.735 0.173 1.00 0.00 C ATOM 876 OE1 GLN A 57 -1.788 13.765 0.707 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.014 12.718 -1.091 1.00 0.00 N ATOM 0 H GLN A 57 -0.850 7.684 -0.986 1.00 0.00 H new ATOM 0 HA GLN A 57 0.217 10.438 -1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.258 10.398 -0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.950 9.391 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.082 11.451 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.355 11.366 1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.686 11.850 -1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.052 13.573 -1.646 1.00 0.00 H new ATOM 886 N LEU A 58 1.908 9.867 0.574 1.00 0.00 N ATOM 887 CA LEU A 58 2.880 9.625 1.648 1.00 0.00 C ATOM 888 C LEU A 58 2.715 10.670 2.761 1.00 0.00 C ATOM 889 O LEU A 58 2.679 11.873 2.495 1.00 0.00 O ATOM 890 CB LEU A 58 4.313 9.702 1.104 1.00 0.00 C ATOM 891 CG LEU A 58 4.633 8.779 -0.081 1.00 0.00 C ATOM 892 CD1 LEU A 58 6.080 8.973 -0.526 1.00 0.00 C ATOM 893 CD2 LEU A 58 4.362 7.315 0.272 1.00 0.00 C ATOM 0 H LEU A 58 2.197 10.571 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 58 2.697 8.628 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.511 10.730 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.002 9.470 1.916 1.00 0.00 H new ATOM 0 HG LEU A 58 3.977 9.046 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.294 8.313 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.231 10.009 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.750 8.736 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.597 6.684 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.984 7.024 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.311 7.193 0.535 1.00 0.00 H new ATOM 905 N MET A 59 2.631 10.214 4.007 1.00 0.00 N ATOM 906 CA MET A 59 2.427 11.123 5.139 1.00 0.00 C ATOM 907 C MET A 59 3.768 11.541 5.760 1.00 0.00 C ATOM 908 O MET A 59 4.394 10.781 6.505 1.00 0.00 O ATOM 909 CB MET A 59 1.536 10.456 6.194 1.00 0.00 C ATOM 910 CG MET A 59 0.169 10.039 5.659 1.00 0.00 C ATOM 911 SD MET A 59 -0.816 11.437 5.086 1.00 0.00 S ATOM 912 CE MET A 59 -1.001 12.375 6.602 1.00 0.00 C ATOM 0 H MET A 59 2.700 9.229 4.261 1.00 0.00 H new ATOM 0 HA MET A 59 1.932 12.022 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.047 9.577 6.587 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.397 11.144 7.028 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.305 9.336 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.377 9.513 6.442 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.014 12.773 6.662 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.815 11.725 7.457 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.287 13.198 6.610 1.00 0.00 H new ATOM 1033 N LYS A 68 6.412 9.938 8.448 1.00 0.00 N ATOM 1034 CA LYS A 68 5.650 9.495 9.623 1.00 0.00 C ATOM 1035 C LYS A 68 5.461 7.970 9.649 1.00 0.00 C ATOM 1036 O LYS A 68 4.960 7.414 10.631 1.00 0.00 O ATOM 1037 CB LYS A 68 4.295 10.205 9.676 1.00 0.00 C ATOM 1038 CG LYS A 68 4.415 11.694 9.959 1.00 0.00 C ATOM 1039 CD LYS A 68 3.055 12.373 10.063 1.00 0.00 C ATOM 1040 CE LYS A 68 3.196 13.820 10.516 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.890 14.524 10.556 1.00 0.00 N ATOM 0 HA LYS A 68 6.228 9.763 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.779 10.062 8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.679 9.743 10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.965 11.842 10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.995 12.167 9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.554 12.339 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.426 11.828 10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.652 13.846 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.870 14.346 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.034 15.505 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.466 14.523 9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.254 14.038 11.220 1.00 0.00 H new ATOM 1055 N GLY A 69 5.862 7.295 8.573 1.00 0.00 N ATOM 1056 CA GLY A 69 5.847 5.835 8.555 1.00 0.00 C ATOM 1057 C GLY A 69 4.599 5.213 7.929 1.00 0.00 C ATOM 1058 O GLY A 69 4.443 3.992 7.951 1.00 0.00 O ATOM 0 H GLY A 69 6.197 7.729 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.723 5.484 8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.942 5.472 9.579 1.00 0.00 H new ATOM 1062 N TYR A 70 3.713 6.021 7.351 1.00 0.00 N ATOM 1063 CA TYR A 70 2.496 5.477 6.730 1.00 0.00 C ATOM 1064 C TYR A 70 1.998 6.323 5.550 1.00 0.00 C ATOM 1065 O TYR A 70 2.303 7.513 5.441 1.00 0.00 O ATOM 1066 CB TYR A 70 1.384 5.307 7.777 1.00 0.00 C ATOM 1067 CG TYR A 70 0.979 6.584 8.501 1.00 0.00 C ATOM 1068 CD1 TYR A 70 1.727 7.072 9.569 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.162 7.290 8.129 1.00 0.00 C ATOM 1070 CE1 TYR A 70 1.353 8.221 10.238 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -0.545 8.437 8.799 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.215 8.898 9.850 1.00 0.00 C ATOM 1073 OH TYR A 70 -0.178 10.032 10.526 1.00 0.00 O ATOM 0 H TYR A 70 3.806 7.035 7.297 1.00 0.00 H new ATOM 0 HA TYR A 70 2.762 4.500 6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.504 4.891 7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.711 4.576 8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.616 6.543 9.880 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.759 6.935 7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.948 8.588 11.061 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.436 8.969 8.499 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.999 10.385 10.123 1.00 0.00 H new ATOM 1083 N GLY A 71 1.241 5.677 4.663 1.00 0.00 N ATOM 1084 CA GLY A 71 0.669 6.342 3.499 1.00 0.00 C ATOM 1085 C GLY A 71 -0.649 5.711 3.046 1.00 0.00 C ATOM 1086 O GLY A 71 -0.952 4.572 3.402 1.00 0.00 O ATOM 0 H GLY A 71 1.010 4.686 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.502 7.394 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.385 6.307 2.678 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.436 6.449 2.265 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.741 5.959 1.787 1.00 0.00 C ATOM 1092 C PHE A 72 -2.759 5.791 0.256 1.00 0.00 C ATOM 1093 O PHE A 72 -2.232 6.627 -0.474 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.860 6.921 2.212 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.023 7.050 3.709 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.253 7.954 4.428 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -4.949 6.273 4.395 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.405 8.084 5.795 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.103 6.400 5.763 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.330 7.305 6.463 1.00 0.00 C ATOM 0 H PHE A 72 -1.199 7.388 1.946 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.908 4.981 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.657 7.906 1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.802 6.579 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.526 8.563 3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.555 5.562 3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.801 8.794 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.828 5.792 6.284 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.448 7.404 7.532 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.370 4.708 -0.220 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.484 4.441 -1.661 1.00 0.00 C ATOM 1112 C ILE A 73 -4.958 4.287 -2.084 1.00 0.00 C ATOM 1113 O ILE A 73 -5.774 3.753 -1.335 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.696 3.162 -2.055 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -1.223 3.288 -1.629 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.801 2.899 -3.558 1.00 0.00 C ATOM 1117 CD1 ILE A 73 -0.385 2.062 -1.937 1.00 0.00 C ATOM 0 H ILE A 73 -3.797 3.995 0.371 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.055 5.297 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.137 2.314 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.783 4.151 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.181 3.485 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.241 1.998 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.847 2.764 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.389 3.747 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.640 2.230 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.798 1.199 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.394 1.875 -3.011 1.00 0.00 H new ATOM 1129 N THR A 74 -5.291 4.759 -3.285 1.00 0.00 N ATOM 1130 CA THR A 74 -6.675 4.698 -3.796 1.00 0.00 C ATOM 1131 C THR A 74 -6.787 3.799 -5.039 1.00 0.00 C ATOM 1132 O THR A 74 -5.978 3.899 -5.961 1.00 0.00 O ATOM 1133 CB THR A 74 -7.208 6.108 -4.169 1.00 0.00 C ATOM 1134 OG1 THR A 74 -7.006 7.024 -3.083 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.695 6.056 -4.518 1.00 0.00 C ATOM 0 H THR A 74 -4.627 5.189 -3.928 1.00 0.00 H new ATOM 0 HA THR A 74 -7.275 4.278 -2.988 1.00 0.00 H new ATOM 0 HB THR A 74 -6.653 6.453 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.512 7.808 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.044 7.056 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.846 5.389 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.257 5.685 -3.661 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.799 2.933 -5.057 1.00 0.00 N ATOM 1144 CA PHE A 75 -8.072 2.058 -6.211 1.00 0.00 C ATOM 1145 C PHE A 75 -9.525 2.208 -6.696 1.00 0.00 C ATOM 1146 O PHE A 75 -10.432 2.448 -5.903 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.819 0.584 -5.849 1.00 0.00 C ATOM 1148 CG PHE A 75 -6.374 0.245 -5.583 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.543 -0.151 -6.619 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.851 0.318 -4.299 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.222 -0.472 -6.383 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -4.528 -0.002 -4.059 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.714 -0.395 -5.103 1.00 0.00 C ATOM 0 H PHE A 75 -8.452 2.813 -4.282 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.396 2.361 -7.011 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.406 0.334 -4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.183 -0.044 -6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.934 -0.209 -7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.484 0.628 -3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.587 -0.783 -7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.131 0.055 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.679 -0.642 -4.917 1.00 0.00 H new ATOM 1163 N SER A 76 -9.739 2.049 -8.001 1.00 0.00 N ATOM 1164 CA SER A 76 -11.099 2.056 -8.577 1.00 0.00 C ATOM 1165 C SER A 76 -11.665 0.637 -8.685 1.00 0.00 C ATOM 1166 O SER A 76 -12.673 0.408 -9.352 1.00 0.00 O ATOM 1167 CB SER A 76 -11.093 2.714 -9.964 1.00 0.00 C ATOM 1168 OG SER A 76 -10.833 4.103 -9.868 1.00 0.00 O ATOM 0 H SER A 76 -8.995 1.913 -8.685 1.00 0.00 H new ATOM 0 HA SER A 76 -11.736 2.633 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.337 2.242 -10.591 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.055 2.554 -10.450 1.00 0.00 H new ATOM 0 HG SER A 76 -10.833 4.499 -10.765 1.00 0.00 H new ATOM 1174 N ASP A 77 -11.010 -0.312 -8.022 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.439 -1.711 -8.043 1.00 0.00 C ATOM 1176 C ASP A 77 -11.221 -2.368 -6.667 1.00 0.00 C ATOM 1177 O ASP A 77 -10.085 -2.612 -6.254 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.670 -2.468 -9.131 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.229 -3.855 -9.375 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -10.809 -4.804 -8.684 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -12.093 -3.998 -10.263 1.00 0.00 O ATOM 0 H ASP A 77 -10.176 -0.138 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.505 -1.751 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.703 -1.897 -10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.622 -2.547 -8.843 1.00 0.00 H new ATOM 1186 N SER A 78 -12.315 -2.645 -5.961 1.00 0.00 N ATOM 1187 CA SER A 78 -12.252 -3.200 -4.598 1.00 0.00 C ATOM 1188 C SER A 78 -11.669 -4.623 -4.557 1.00 0.00 C ATOM 1189 O SER A 78 -11.022 -5.001 -3.579 1.00 0.00 O ATOM 1190 CB SER A 78 -13.647 -3.208 -3.959 1.00 0.00 C ATOM 1191 OG SER A 78 -14.232 -1.914 -3.974 1.00 0.00 O ATOM 0 H SER A 78 -13.263 -2.496 -6.307 1.00 0.00 H new ATOM 0 HA SER A 78 -11.581 -2.552 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.290 -3.906 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.576 -3.565 -2.932 1.00 0.00 H new ATOM 0 HG SER A 78 -15.120 -1.952 -3.562 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.892 -5.406 -5.616 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.443 -6.808 -5.652 1.00 0.00 C ATOM 1199 C GLU A 79 -9.908 -6.904 -5.644 1.00 0.00 C ATOM 1200 O GLU A 79 -9.318 -7.534 -4.759 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.007 -7.526 -6.890 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.527 -7.449 -7.022 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.068 -8.316 -8.153 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -13.697 -8.077 -9.324 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -14.860 -9.244 -7.880 1.00 0.00 O ATOM 0 H GLU A 79 -12.378 -5.098 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.821 -7.298 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.554 -7.096 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.709 -8.574 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.985 -7.759 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.820 -6.413 -7.193 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.268 -6.277 -6.632 1.00 0.00 N ATOM 1213 CA CYS A 80 -7.799 -6.255 -6.718 1.00 0.00 C ATOM 1214 C CYS A 80 -7.180 -5.641 -5.456 1.00 0.00 C ATOM 1215 O CYS A 80 -6.144 -6.103 -4.968 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.343 -5.461 -7.948 1.00 0.00 C ATOM 1217 SG CYS A 80 -7.786 -3.709 -7.903 1.00 0.00 S ATOM 0 H CYS A 80 -9.739 -5.777 -7.386 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.459 -7.287 -6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.261 -5.549 -8.043 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.778 -5.912 -8.840 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.881 -3.556 -7.220 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.824 -4.599 -4.925 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.374 -3.958 -3.686 1.00 0.00 C ATOM 1225 C ALA A 81 -7.449 -4.924 -2.490 1.00 0.00 C ATOM 1226 O ALA A 81 -6.547 -4.955 -1.648 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.195 -2.703 -3.411 1.00 0.00 C ATOM 0 H ALA A 81 -8.660 -4.180 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.329 -3.676 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.850 -2.237 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.076 -2.002 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.247 -2.971 -3.311 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.527 -5.711 -2.418 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.677 -6.722 -1.363 1.00 0.00 C ATOM 1235 C LYS A 82 -7.536 -7.751 -1.430 1.00 0.00 C ATOM 1236 O LYS A 82 -6.957 -8.125 -0.405 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.033 -7.442 -1.481 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.238 -8.532 -0.424 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.494 -9.367 -0.674 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.778 -8.556 -0.523 1.00 0.00 C ATOM 1241 NZ LYS A 82 -13.987 -9.403 -0.718 1.00 0.00 N ATOM 0 H LYS A 82 -9.307 -5.669 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.635 -6.208 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.834 -6.708 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.114 -7.888 -2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.367 -9.188 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.304 -8.070 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.451 -9.789 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.514 -10.205 0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.807 -8.101 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.782 -7.742 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.841 -8.820 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.971 -9.817 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.995 -10.165 -0.010 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.223 -8.199 -2.646 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.139 -9.161 -2.865 1.00 0.00 C ATOM 1257 C LYS A 83 -4.773 -8.557 -2.502 1.00 0.00 C ATOM 1258 O LYS A 83 -3.974 -9.181 -1.802 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.129 -9.637 -4.325 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.066 -10.692 -4.604 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.084 -11.161 -6.053 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.068 -12.275 -6.286 1.00 0.00 C ATOM 1263 NZ LYS A 83 -4.391 -13.499 -5.504 1.00 0.00 N ATOM 0 H LYS A 83 -7.705 -7.911 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.319 -10.015 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.109 -10.043 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.963 -8.781 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.083 -10.285 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.224 -11.546 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.082 -11.516 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.864 -10.321 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.037 -12.521 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.074 -11.922 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.255 -14.339 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.763 -13.558 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.380 -13.457 -5.186 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.514 -7.340 -2.983 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.275 -6.626 -2.660 1.00 0.00 C ATOM 1279 C ALA A 84 -3.052 -6.574 -1.144 1.00 0.00 C ATOM 1280 O ALA A 84 -1.995 -6.952 -0.644 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.313 -5.214 -3.236 1.00 0.00 C ATOM 0 H ALA A 84 -5.145 -6.827 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.443 -7.169 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.387 -4.695 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.422 -5.266 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.158 -4.671 -2.812 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.074 -6.121 -0.425 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.044 -6.086 1.038 1.00 0.00 C ATOM 1289 C LEU A 85 -3.742 -7.478 1.614 1.00 0.00 C ATOM 1290 O LEU A 85 -2.803 -7.651 2.391 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.397 -5.554 1.562 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.540 -5.385 3.094 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.628 -4.363 3.411 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.868 -6.715 3.780 1.00 0.00 C ATOM 0 H LEU A 85 -4.941 -5.770 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.246 -5.418 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.584 -4.587 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.182 -6.229 1.221 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.583 -5.032 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.720 -4.252 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.365 -3.402 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.578 -4.703 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.961 -6.557 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.807 -7.105 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.069 -7.431 3.586 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.527 -8.470 1.201 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.437 -9.826 1.756 1.00 0.00 C ATOM 1308 C GLU A 86 -3.064 -10.488 1.494 1.00 0.00 C ATOM 1309 O GLU A 86 -2.617 -11.335 2.267 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.563 -10.695 1.169 1.00 0.00 C ATOM 1311 CG GLU A 86 -5.792 -12.009 1.907 1.00 0.00 C ATOM 1312 CD GLU A 86 -6.192 -11.797 3.358 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.358 -11.430 3.613 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -5.337 -11.973 4.252 1.00 0.00 O ATOM 0 H GLU A 86 -5.239 -8.363 0.479 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.547 -9.746 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.490 -10.121 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.332 -10.913 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.570 -12.578 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.882 -12.608 1.868 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.396 -10.103 0.400 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.091 -10.684 0.044 1.00 0.00 C ATOM 1323 C GLN A 87 0.078 -9.897 0.665 1.00 0.00 C ATOM 1324 O GLN A 87 1.081 -10.479 1.091 1.00 0.00 O ATOM 1325 CB GLN A 87 -0.916 -10.736 -1.492 1.00 0.00 C ATOM 1326 CG GLN A 87 -1.209 -12.099 -2.133 1.00 0.00 C ATOM 1327 CD GLN A 87 -2.689 -12.381 -2.395 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -3.031 -13.079 -3.342 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -3.578 -11.862 -1.572 1.00 0.00 N ATOM 0 H GLN A 87 -2.733 -9.395 -0.253 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.075 -11.696 0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.572 -9.991 -1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.107 -10.449 -1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.669 -12.164 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.814 -12.882 -1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.272 -11.284 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.572 -12.039 -1.717 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.046 -8.575 0.704 1.00 0.00 N ATOM 1339 CA LEU A 88 1.065 -7.706 1.111 1.00 0.00 C ATOM 1340 C LEU A 88 1.058 -7.386 2.613 1.00 0.00 C ATOM 1341 O LEU A 88 2.100 -7.061 3.183 1.00 0.00 O ATOM 1342 CB LEU A 88 1.036 -6.410 0.291 1.00 0.00 C ATOM 1343 CG LEU A 88 1.052 -6.612 -1.234 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.952 -5.276 -1.964 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.303 -7.374 -1.664 1.00 0.00 C ATOM 0 H LEU A 88 -0.902 -8.077 0.460 1.00 0.00 H new ATOM 0 HA LEU A 88 1.988 -8.252 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.142 -5.846 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.894 -5.800 0.572 1.00 0.00 H new ATOM 0 HG LEU A 88 0.180 -7.207 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.966 -5.448 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.022 -4.779 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.797 -4.646 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.295 -7.506 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.190 -6.811 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.319 -8.350 -1.179 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.098 -7.481 3.262 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.188 -7.196 4.698 1.00 0.00 C ATOM 1359 C ASN A 89 0.524 -8.286 5.518 1.00 0.00 C ATOM 1360 O ASN A 89 -0.012 -9.374 5.732 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.654 -7.055 5.130 1.00 0.00 C ATOM 1362 CG ASN A 89 -1.792 -6.543 6.550 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -0.883 -5.920 7.092 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.931 -6.773 7.156 1.00 0.00 N ATOM 0 H ASN A 89 -0.980 -7.750 2.826 1.00 0.00 H new ATOM 0 HA ASN A 89 0.316 -6.249 4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.166 -6.374 4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.149 -8.022 5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.082 -6.431 8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.667 -7.294 6.679 1.00 0.00 H new ATOM 1371 N GLY A 90 1.740 -7.983 5.965 1.00 0.00 N ATOM 1372 CA GLY A 90 2.581 -8.975 6.632 1.00 0.00 C ATOM 1373 C GLY A 90 3.865 -9.247 5.854 1.00 0.00 C ATOM 1374 O GLY A 90 4.813 -9.834 6.382 1.00 0.00 O ATOM 0 H GLY A 90 2.165 -7.060 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.831 -8.625 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.023 -9.904 6.749 1.00 0.00 H new ATOM 1378 N PHE A 91 3.888 -8.810 4.594 1.00 0.00 N ATOM 1379 CA PHE A 91 5.066 -8.949 3.732 1.00 0.00 C ATOM 1380 C PHE A 91 6.190 -8.012 4.195 1.00 0.00 C ATOM 1381 O PHE A 91 5.990 -6.807 4.330 1.00 0.00 O ATOM 1382 CB PHE A 91 4.685 -8.640 2.274 1.00 0.00 C ATOM 1383 CG PHE A 91 5.835 -8.712 1.294 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.229 -9.929 0.756 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.520 -7.564 0.912 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.277 -10.001 -0.142 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.569 -7.634 0.013 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.948 -8.853 -0.511 1.00 0.00 C ATOM 0 H PHE A 91 3.096 -8.352 4.143 1.00 0.00 H new ATOM 0 HA PHE A 91 5.427 -9.975 3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.911 -9.340 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.249 -7.642 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.710 -10.832 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.230 -6.608 1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.571 -10.955 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.091 -6.735 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.770 -8.909 -1.210 1.00 0.00 H new ATOM 1398 N GLU A 92 7.371 -8.565 4.443 1.00 0.00 N ATOM 1399 CA GLU A 92 8.495 -7.771 4.936 1.00 0.00 C ATOM 1400 C GLU A 92 9.162 -6.960 3.817 1.00 0.00 C ATOM 1401 O GLU A 92 10.081 -7.431 3.150 1.00 0.00 O ATOM 1402 CB GLU A 92 9.520 -8.669 5.639 1.00 0.00 C ATOM 1403 CG GLU A 92 8.982 -9.322 6.909 1.00 0.00 C ATOM 1404 CD GLU A 92 10.045 -10.076 7.685 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.005 -9.437 8.163 1.00 0.00 O ATOM 1406 OE2 GLU A 92 9.930 -11.311 7.820 1.00 0.00 O ATOM 0 H GLU A 92 7.577 -9.555 4.312 1.00 0.00 H new ATOM 0 HA GLU A 92 8.098 -7.058 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.845 -9.447 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.400 -8.077 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.548 -8.554 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.178 -10.008 6.645 1.00 0.00 H new ATOM 1413 N LEU A 93 8.682 -5.738 3.617 1.00 0.00 N ATOM 1414 CA LEU A 93 9.256 -4.832 2.619 1.00 0.00 C ATOM 1415 C LEU A 93 10.510 -4.140 3.171 1.00 0.00 C ATOM 1416 O LEU A 93 10.502 -3.620 4.291 1.00 0.00 O ATOM 1417 CB LEU A 93 8.223 -3.780 2.192 1.00 0.00 C ATOM 1418 CG LEU A 93 8.710 -2.786 1.121 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.055 -3.514 -0.177 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.664 -1.695 0.877 1.00 0.00 C ATOM 0 H LEU A 93 7.894 -5.347 4.133 1.00 0.00 H new ATOM 0 HA LEU A 93 9.539 -5.423 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.339 -4.293 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.913 -3.218 3.073 1.00 0.00 H new ATOM 0 HG LEU A 93 9.617 -2.306 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.397 -2.792 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.845 -4.241 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.170 -4.029 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.029 -1.004 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.735 -2.152 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.482 -1.151 1.804 1.00 0.00 H new ATOM 1432 N ALA A 94 11.585 -4.141 2.379 1.00 0.00 N ATOM 1433 CA ALA A 94 12.879 -3.587 2.802 1.00 0.00 C ATOM 1434 C ALA A 94 13.445 -4.347 4.015 1.00 0.00 C ATOM 1435 O ALA A 94 14.253 -3.814 4.780 1.00 0.00 O ATOM 1436 CB ALA A 94 12.758 -2.092 3.105 1.00 0.00 C ATOM 0 H ALA A 94 11.587 -4.522 1.433 1.00 0.00 H new ATOM 0 HA ALA A 94 13.579 -3.713 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.728 -1.704 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.426 -1.565 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.033 -1.940 3.905 1.00 0.00 H new ATOM 1442 N GLY A 95 13.032 -5.604 4.164 1.00 0.00 N ATOM 1443 CA GLY A 95 13.476 -6.424 5.286 1.00 0.00 C ATOM 1444 C GLY A 95 12.791 -6.065 6.602 1.00 0.00 C ATOM 1445 O GLY A 95 13.392 -6.168 7.673 1.00 0.00 O ATOM 0 H GLY A 95 12.393 -6.074 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.285 -7.473 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.554 -6.314 5.403 1.00 0.00 H new ATOM 1449 N ARG A 96 11.530 -5.634 6.523 1.00 0.00 N ATOM 1450 CA ARG A 96 10.751 -5.293 7.721 1.00 0.00 C ATOM 1451 C ARG A 96 9.238 -5.336 7.412 1.00 0.00 C ATOM 1452 O ARG A 96 8.794 -4.775 6.406 1.00 0.00 O ATOM 1453 CB ARG A 96 11.173 -3.905 8.240 1.00 0.00 C ATOM 1454 CG ARG A 96 10.814 -3.654 9.703 1.00 0.00 C ATOM 1455 CD ARG A 96 11.345 -2.313 10.211 1.00 0.00 C ATOM 1456 NE ARG A 96 11.236 -2.204 11.666 1.00 0.00 N ATOM 1457 CZ ARG A 96 11.522 -1.134 12.362 1.00 0.00 C ATOM 1458 NH1 ARG A 96 11.845 -0.026 11.774 1.00 0.00 N ATOM 1459 NH2 ARG A 96 11.474 -1.181 13.654 1.00 0.00 N ATOM 0 H ARG A 96 11.025 -5.512 5.645 1.00 0.00 H new ATOM 0 HA ARG A 96 10.952 -6.029 8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.250 -3.794 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.701 -3.139 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.730 -3.680 9.818 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.219 -4.458 10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.388 -2.199 9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.789 -1.501 9.743 1.00 0.00 H new ATOM 0 HE ARG A 96 10.912 -3.025 12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.879 0.020 10.756 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.066 0.801 12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.214 -2.049 14.123 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.696 -0.351 14.203 1.00 0.00 H new ATOM 1473 N PRO A 97 8.433 -6.013 8.268 1.00 0.00 N ATOM 1474 CA PRO A 97 6.990 -6.268 8.012 1.00 0.00 C ATOM 1475 C PRO A 97 6.172 -5.030 7.583 1.00 0.00 C ATOM 1476 O PRO A 97 6.176 -3.999 8.256 1.00 0.00 O ATOM 1477 CB PRO A 97 6.488 -6.797 9.362 1.00 0.00 C ATOM 1478 CG PRO A 97 7.684 -7.433 9.983 1.00 0.00 C ATOM 1479 CD PRO A 97 8.863 -6.592 9.563 1.00 0.00 C ATOM 0 HA PRO A 97 6.867 -6.950 7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.099 -5.991 9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.680 -7.516 9.230 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.592 -7.462 11.069 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.799 -8.463 9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.083 -5.816 10.296 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.766 -7.193 9.454 1.00 0.00 H new ATOM 1487 N MET A 98 5.450 -5.158 6.466 1.00 0.00 N ATOM 1488 CA MET A 98 4.609 -4.073 5.938 1.00 0.00 C ATOM 1489 C MET A 98 3.128 -4.267 6.311 1.00 0.00 C ATOM 1490 O MET A 98 2.497 -5.244 5.906 1.00 0.00 O ATOM 1491 CB MET A 98 4.761 -3.989 4.412 1.00 0.00 C ATOM 1492 CG MET A 98 3.905 -2.913 3.752 1.00 0.00 C ATOM 1493 SD MET A 98 4.289 -2.697 2.001 1.00 0.00 S ATOM 1494 CE MET A 98 3.985 -4.346 1.368 1.00 0.00 C ATOM 0 H MET A 98 5.430 -6.009 5.904 1.00 0.00 H new ATOM 0 HA MET A 98 4.945 -3.140 6.390 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.808 -3.801 4.173 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.504 -4.956 3.980 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.852 -3.175 3.860 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.053 -1.967 4.272 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.573 -4.279 0.361 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.921 -4.903 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.276 -4.860 2.017 1.00 0.00 H new ATOM 1504 N LYS A 99 2.577 -3.322 7.073 1.00 0.00 N ATOM 1505 CA LYS A 99 1.179 -3.394 7.516 1.00 0.00 C ATOM 1506 C LYS A 99 0.228 -2.727 6.512 1.00 0.00 C ATOM 1507 O LYS A 99 0.170 -1.499 6.414 1.00 0.00 O ATOM 1508 CB LYS A 99 1.024 -2.721 8.885 1.00 0.00 C ATOM 1509 CG LYS A 99 1.970 -3.257 9.953 1.00 0.00 C ATOM 1510 CD LYS A 99 1.819 -2.489 11.263 1.00 0.00 C ATOM 1511 CE LYS A 99 2.826 -2.939 12.314 1.00 0.00 C ATOM 1512 NZ LYS A 99 2.745 -2.107 13.546 1.00 0.00 N ATOM 0 H LYS A 99 3.077 -2.494 7.399 1.00 0.00 H new ATOM 0 HA LYS A 99 0.914 -4.449 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.190 -1.650 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.003 -2.850 9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.768 -4.314 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.999 -3.182 9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.946 -1.423 11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.809 -2.626 11.648 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.645 -3.983 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.833 -2.881 11.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.445 -2.443 14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.942 -1.114 13.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.791 -2.182 13.954 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.513 -3.536 5.764 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.508 -3.024 4.816 1.00 0.00 C ATOM 1528 C VAL A 100 -2.941 -3.258 5.333 1.00 0.00 C ATOM 1529 O VAL A 100 -3.483 -4.356 5.223 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.357 -3.685 3.423 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.318 -3.054 2.413 1.00 0.00 C ATOM 1532 CG2 VAL A 100 0.087 -3.588 2.931 1.00 0.00 C ATOM 0 H VAL A 100 -0.447 -4.553 5.793 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.330 -1.953 4.721 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.613 -4.740 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.193 -3.535 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.344 -3.188 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.102 -1.990 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.170 -4.058 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.376 -2.540 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.746 -4.097 3.635 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.536 -2.223 5.913 1.00 0.00 N ATOM 1543 CA GLY A 101 -4.907 -2.307 6.413 1.00 0.00 C ATOM 1544 C GLY A 101 -5.883 -1.523 5.546 1.00 0.00 C ATOM 1545 O GLY A 101 -5.463 -0.691 4.754 1.00 0.00 O ATOM 0 H GLY A 101 -3.093 -1.315 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.215 -3.352 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.944 -1.927 7.434 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.185 -1.799 5.668 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.202 -1.047 4.910 1.00 0.00 C ATOM 1551 C HIS A 102 -8.027 0.470 5.124 1.00 0.00 C ATOM 1552 O HIS A 102 -7.378 1.152 4.333 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.613 -1.486 5.330 1.00 0.00 C ATOM 1554 CG HIS A 102 -9.924 -2.921 5.023 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -10.869 -3.303 4.100 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -9.415 -4.070 5.528 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -10.928 -4.617 4.049 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -10.056 -5.109 4.905 1.00 0.00 N ATOM 0 H HIS A 102 -7.561 -2.527 6.275 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.070 -1.262 3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -9.730 -1.321 6.401 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -10.344 -0.852 4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -8.646 -4.152 6.282 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -11.582 -5.195 3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -9.886 -6.100 5.076 1.00 0.00 H new