USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=16 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 -123:sc=-0.00375 (180deg=-0.0515) USER MOD Set 1.2: A 102 HIS : no HD1:sc=-0.00467 X(o=-0.0084,f=-0.053) USER MOD Single : A 30 TYR OH : rot -30:sc= 0.00934 USER MOD Single : A 33 SER OG : rot -27:sc= 0.406 USER MOD Single : A 35 HIS : no HE2:sc= -1.75! C(o=-1.8!,f=-8.3!) USER MOD Single : A 37 ASN : amide:sc= 0.206 X(o=0.21,f=-0.023) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -118:sc= -2.7 (180deg=-6.54!) USER MOD Single : A 55 SER OG : rot 9:sc= 0.242 USER MOD Single : A 57 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.8) USER MOD Single : A 59 MET CE :methyl 136:sc= -0.171 (180deg=-0.823) USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0127) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 76 SER OG : rot -20:sc= 0.364 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -150:sc= -3.17! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -1.18 K(o=-1.2,f=-6.2!) USER MOD Single : A 89 ASN : amide:sc= 0.458 K(o=0.46,f=-3.7!) USER MOD Single : A 98 MET CE :methyl -137:sc= -1.81 (180deg=-2.55!) USER MOD Single : A 99 LYS NZ :NH3+ 136:sc= -1.61! (180deg=-3.99!) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.035 3.185 -6.164 1.00 0.00 N ATOM 360 CA PRO A 26 -12.628 3.043 -5.718 1.00 0.00 C ATOM 361 C PRO A 26 -12.488 2.687 -4.223 1.00 0.00 C ATOM 362 O PRO A 26 -13.372 2.982 -3.418 1.00 0.00 O ATOM 363 CB PRO A 26 -12.025 4.431 -5.992 1.00 0.00 C ATOM 364 CG PRO A 26 -12.921 5.050 -7.016 1.00 0.00 C ATOM 365 CD PRO A 26 -14.300 4.527 -6.720 1.00 0.00 C ATOM 0 HA PRO A 26 -12.131 2.225 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.991 5.032 -5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.002 4.351 -6.360 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.893 6.138 -6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.608 4.780 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.828 5.162 -6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.914 4.477 -7.619 1.00 0.00 H new ATOM 373 N MET A 27 -11.362 2.070 -3.859 1.00 0.00 N ATOM 374 CA MET A 27 -11.100 1.674 -2.467 1.00 0.00 C ATOM 375 C MET A 27 -9.754 2.227 -1.968 1.00 0.00 C ATOM 376 O MET A 27 -8.800 2.343 -2.733 1.00 0.00 O ATOM 377 CB MET A 27 -11.123 0.146 -2.337 1.00 0.00 C ATOM 378 CG MET A 27 -10.784 -0.354 -0.938 1.00 0.00 C ATOM 379 SD MET A 27 -11.770 0.450 0.343 1.00 0.00 S ATOM 380 CE MET A 27 -11.071 -0.275 1.823 1.00 0.00 C ATOM 0 H MET A 27 -10.613 1.832 -4.509 1.00 0.00 H new ATOM 0 HA MET A 27 -11.888 2.099 -1.846 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.112 -0.219 -2.614 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.415 -0.281 -3.048 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.944 -1.431 -0.892 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.726 -0.180 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.859 -0.764 2.396 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.315 -1.010 1.546 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.613 0.506 2.429 1.00 0.00 H new ATOM 390 N ARG A 28 -9.683 2.537 -0.676 1.00 0.00 N ATOM 391 CA ARG A 28 -8.499 3.178 -0.086 1.00 0.00 C ATOM 392 C ARG A 28 -7.895 2.313 1.036 1.00 0.00 C ATOM 393 O ARG A 28 -8.566 1.993 2.017 1.00 0.00 O ATOM 394 CB ARG A 28 -8.903 4.561 0.444 1.00 0.00 C ATOM 395 CG ARG A 28 -7.753 5.414 0.970 1.00 0.00 C ATOM 396 CD ARG A 28 -8.229 6.831 1.285 1.00 0.00 C ATOM 397 NE ARG A 28 -7.148 7.700 1.747 1.00 0.00 N ATOM 398 CZ ARG A 28 -6.637 8.675 1.043 1.00 0.00 C ATOM 399 NH1 ARG A 28 -7.017 8.878 -0.180 1.00 0.00 N ATOM 400 NH2 ARG A 28 -5.738 9.443 1.568 1.00 0.00 N ATOM 0 H ARG A 28 -10.434 2.355 -0.010 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.730 3.288 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.404 5.107 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.631 4.428 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.337 4.957 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.953 5.450 0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.682 7.264 0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.006 6.788 2.048 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.768 7.535 2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.722 8.273 -0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.611 9.642 -0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.431 9.286 2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.336 10.205 1.022 1.00 0.00 H new ATOM 414 N LEU A 29 -6.625 1.932 0.879 1.00 0.00 N ATOM 415 CA LEU A 29 -5.942 1.069 1.855 1.00 0.00 C ATOM 416 C LEU A 29 -4.929 1.843 2.711 1.00 0.00 C ATOM 417 O LEU A 29 -4.252 2.753 2.230 1.00 0.00 O ATOM 418 CB LEU A 29 -5.210 -0.079 1.142 1.00 0.00 C ATOM 419 CG LEU A 29 -6.094 -1.041 0.331 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.244 -2.156 -0.274 1.00 0.00 C ATOM 421 CD2 LEU A 29 -7.211 -1.618 1.200 1.00 0.00 C ATOM 0 H LEU A 29 -6.046 2.206 0.086 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.716 0.673 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.466 0.352 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.668 -0.658 1.890 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.559 -0.482 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.882 -2.830 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.491 -1.723 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.751 -2.712 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.823 -2.295 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.776 -2.164 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.832 -0.807 1.580 1.00 0.00 H new ATOM 433 N TYR A 30 -4.832 1.461 3.979 1.00 0.00 N ATOM 434 CA TYR A 30 -3.809 1.987 4.891 1.00 0.00 C ATOM 435 C TYR A 30 -2.555 1.093 4.868 1.00 0.00 C ATOM 436 O TYR A 30 -2.615 -0.074 5.248 1.00 0.00 O ATOM 437 CB TYR A 30 -4.383 2.070 6.317 1.00 0.00 C ATOM 438 CG TYR A 30 -3.344 2.308 7.399 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.824 3.576 7.634 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.881 1.254 8.184 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.875 3.788 8.618 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.936 1.459 9.169 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.434 2.725 9.381 1.00 0.00 C ATOM 444 OH TYR A 30 -0.487 2.928 10.364 1.00 0.00 O ATOM 0 H TYR A 30 -5.457 0.779 4.409 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.521 2.986 4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.118 2.874 6.353 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.913 1.143 6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.167 4.409 7.038 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.268 0.259 8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.481 4.779 8.788 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.591 0.631 9.771 1.00 0.00 H new ATOM 0 HH TYR A 30 0.094 3.675 10.109 1.00 0.00 H new ATOM 454 N VAL A 31 -1.425 1.640 4.415 1.00 0.00 N ATOM 455 CA VAL A 31 -0.171 0.873 4.321 1.00 0.00 C ATOM 456 C VAL A 31 0.939 1.479 5.206 1.00 0.00 C ATOM 457 O VAL A 31 1.470 2.552 4.915 1.00 0.00 O ATOM 458 CB VAL A 31 0.331 0.795 2.853 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.621 -0.025 2.752 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.755 0.220 1.936 1.00 0.00 C ATOM 0 H VAL A 31 -1.348 2.609 4.107 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.393 -0.132 4.679 1.00 0.00 H new ATOM 0 HB VAL A 31 0.554 1.809 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.948 -0.062 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.397 0.440 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.437 -1.038 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.381 0.175 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.020 -0.783 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.637 0.859 1.972 1.00 0.00 H new ATOM 470 N GLY A 32 1.280 0.783 6.290 1.00 0.00 N ATOM 471 CA GLY A 32 2.343 1.234 7.186 1.00 0.00 C ATOM 472 C GLY A 32 3.587 0.350 7.126 1.00 0.00 C ATOM 473 O GLY A 32 3.590 -0.762 7.655 1.00 0.00 O ATOM 0 H GLY A 32 0.837 -0.093 6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.618 2.257 6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.966 1.252 8.208 1.00 0.00 H new ATOM 477 N SER A 33 4.637 0.842 6.468 1.00 0.00 N ATOM 478 CA SER A 33 5.912 0.101 6.356 1.00 0.00 C ATOM 479 C SER A 33 7.026 0.967 5.729 1.00 0.00 C ATOM 480 O SER A 33 8.086 0.467 5.347 1.00 0.00 O ATOM 481 CB SER A 33 5.717 -1.172 5.513 1.00 0.00 C ATOM 482 OG SER A 33 6.915 -1.923 5.416 1.00 0.00 O ATOM 0 H SER A 33 4.639 1.749 6.002 1.00 0.00 H new ATOM 0 HA SER A 33 6.220 -0.169 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.936 -1.788 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.376 -0.899 4.514 1.00 0.00 H new ATOM 0 HG SER A 33 7.685 -1.324 5.506 1.00 0.00 H new ATOM 488 N LEU A 34 6.807 2.277 5.663 1.00 0.00 N ATOM 489 CA LEU A 34 7.720 3.169 4.946 1.00 0.00 C ATOM 490 C LEU A 34 8.882 3.624 5.841 1.00 0.00 C ATOM 491 O LEU A 34 8.812 4.685 6.464 1.00 0.00 O ATOM 492 CB LEU A 34 6.961 4.403 4.429 1.00 0.00 C ATOM 493 CG LEU A 34 5.569 4.133 3.834 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.966 5.422 3.293 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.627 3.062 2.748 1.00 0.00 C ATOM 0 H LEU A 34 6.010 2.745 6.094 1.00 0.00 H new ATOM 0 HA LEU A 34 8.131 2.610 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.853 5.110 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.572 4.890 3.669 1.00 0.00 H new ATOM 0 HG LEU A 34 4.928 3.757 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.981 5.215 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.872 6.147 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.613 5.828 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.627 2.895 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.288 3.392 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.008 2.133 3.173 1.00 0.00 H new ATOM 507 N HIS A 35 9.949 2.827 5.923 1.00 0.00 N ATOM 508 CA HIS A 35 11.100 3.202 6.760 1.00 0.00 C ATOM 509 C HIS A 35 12.002 4.252 6.070 1.00 0.00 C ATOM 510 O HIS A 35 13.133 3.973 5.677 1.00 0.00 O ATOM 511 CB HIS A 35 11.900 1.965 7.221 1.00 0.00 C ATOM 512 CG HIS A 35 12.618 1.189 6.151 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.864 1.534 5.682 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.289 0.041 5.515 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.273 0.638 4.808 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.339 -0.284 4.687 1.00 0.00 N ATOM 0 H HIS A 35 10.045 1.937 5.434 1.00 0.00 H new ATOM 0 HA HIS A 35 10.700 3.675 7.657 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.635 2.290 7.957 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.215 1.288 7.732 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.391 2.359 5.968 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.372 -0.517 5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.215 0.656 4.280 1.00 0.00 H new ATOM 525 N PHE A 36 11.445 5.455 5.891 1.00 0.00 N ATOM 526 CA PHE A 36 12.183 6.626 5.378 1.00 0.00 C ATOM 527 C PHE A 36 12.773 6.408 3.958 1.00 0.00 C ATOM 528 O PHE A 36 13.521 7.242 3.454 1.00 0.00 O ATOM 529 CB PHE A 36 13.293 7.005 6.383 1.00 0.00 C ATOM 530 CG PHE A 36 13.966 8.330 6.108 1.00 0.00 C ATOM 531 CD1 PHE A 36 13.266 9.521 6.253 1.00 0.00 C ATOM 532 CD2 PHE A 36 15.294 8.385 5.705 1.00 0.00 C ATOM 533 CE1 PHE A 36 13.877 10.737 6.003 1.00 0.00 C ATOM 534 CE2 PHE A 36 15.908 9.599 5.454 1.00 0.00 C ATOM 535 CZ PHE A 36 15.200 10.775 5.602 1.00 0.00 C ATOM 0 H PHE A 36 10.465 5.650 6.097 1.00 0.00 H new ATOM 0 HA PHE A 36 11.471 7.445 5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.864 7.031 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 36 14.050 6.221 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.232 9.498 6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.854 7.469 5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.321 11.656 6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.942 9.627 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.679 11.723 5.405 1.00 0.00 H new ATOM 545 N ASN A 37 12.404 5.309 3.296 1.00 0.00 N ATOM 546 CA ASN A 37 12.942 5.003 1.956 1.00 0.00 C ATOM 547 C ASN A 37 11.817 4.656 0.962 1.00 0.00 C ATOM 548 O ASN A 37 11.894 4.994 -0.220 1.00 0.00 O ATOM 549 CB ASN A 37 13.940 3.835 2.059 1.00 0.00 C ATOM 550 CG ASN A 37 14.953 3.771 0.915 1.00 0.00 C ATOM 551 OD1 ASN A 37 16.079 3.326 1.105 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.577 4.204 -0.275 1.00 0.00 N ATOM 0 H ASN A 37 11.743 4.620 3.655 1.00 0.00 H new ATOM 0 HA ASN A 37 13.452 5.890 1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.480 3.915 3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.383 2.898 2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.229 4.172 -1.059 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.635 4.570 -0.410 1.00 0.00 H new ATOM 559 N ILE A 38 10.773 3.996 1.451 1.00 0.00 N ATOM 560 CA ILE A 38 9.688 3.518 0.590 1.00 0.00 C ATOM 561 C ILE A 38 8.799 4.682 0.110 1.00 0.00 C ATOM 562 O ILE A 38 8.034 5.256 0.886 1.00 0.00 O ATOM 563 CB ILE A 38 8.806 2.473 1.324 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.670 1.490 2.137 1.00 0.00 C ATOM 565 CG2 ILE A 38 7.939 1.712 0.322 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.646 0.683 1.308 1.00 0.00 C ATOM 0 H ILE A 38 10.651 3.778 2.440 1.00 0.00 H new ATOM 0 HA ILE A 38 10.155 3.047 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 38 8.157 3.007 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.227 2.050 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.013 0.804 2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.326 0.983 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.293 2.413 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.578 1.197 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.213 0.018 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.098 0.092 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.331 1.357 0.793 1.00 0.00 H new ATOM 578 N THR A 39 8.922 5.031 -1.169 1.00 0.00 N ATOM 579 CA THR A 39 8.158 6.140 -1.762 1.00 0.00 C ATOM 580 C THR A 39 6.936 5.643 -2.543 1.00 0.00 C ATOM 581 O THR A 39 6.694 4.437 -2.643 1.00 0.00 O ATOM 582 CB THR A 39 9.044 6.967 -2.720 1.00 0.00 C ATOM 583 OG1 THR A 39 9.537 6.122 -3.772 1.00 0.00 O ATOM 584 CG2 THR A 39 10.217 7.598 -1.973 1.00 0.00 C ATOM 0 H THR A 39 9.547 4.561 -1.824 1.00 0.00 H new ATOM 0 HA THR A 39 7.820 6.760 -0.932 1.00 0.00 H new ATOM 0 HB THR A 39 8.438 7.767 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.097 6.649 -4.379 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.825 8.175 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.839 8.257 -1.191 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.826 6.814 -1.523 1.00 0.00 H new ATOM 592 N GLU A 40 6.169 6.583 -3.106 1.00 0.00 N ATOM 593 CA GLU A 40 4.981 6.247 -3.904 1.00 0.00 C ATOM 594 C GLU A 40 5.352 5.393 -5.121 1.00 0.00 C ATOM 595 O GLU A 40 4.669 4.425 -5.442 1.00 0.00 O ATOM 596 CB GLU A 40 4.257 7.518 -4.385 1.00 0.00 C ATOM 597 CG GLU A 40 3.873 8.494 -3.275 1.00 0.00 C ATOM 598 CD GLU A 40 4.843 9.658 -3.134 1.00 0.00 C ATOM 599 OE1 GLU A 40 6.055 9.419 -2.946 1.00 0.00 O ATOM 600 OE2 GLU A 40 4.395 10.823 -3.201 1.00 0.00 O ATOM 0 H GLU A 40 6.349 7.584 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 40 4.315 5.677 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.897 8.036 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.354 7.224 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.875 8.884 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.823 7.955 -2.329 1.00 0.00 H new ATOM 607 N ASP A 41 6.438 5.766 -5.794 1.00 0.00 N ATOM 608 CA ASP A 41 6.924 5.031 -6.965 1.00 0.00 C ATOM 609 C ASP A 41 7.298 3.583 -6.591 1.00 0.00 C ATOM 610 O ASP A 41 7.060 2.645 -7.356 1.00 0.00 O ATOM 611 CB ASP A 41 8.130 5.766 -7.565 1.00 0.00 C ATOM 612 CG ASP A 41 8.634 5.125 -8.844 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.076 5.419 -9.923 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.588 4.322 -8.778 1.00 0.00 O ATOM 0 H ASP A 41 7.003 6.579 -5.548 1.00 0.00 H new ATOM 0 HA ASP A 41 6.128 4.984 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.855 6.801 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.937 5.788 -6.833 1.00 0.00 H new ATOM 619 N MET A 42 7.866 3.418 -5.397 1.00 0.00 N ATOM 620 CA MET A 42 8.260 2.099 -4.884 1.00 0.00 C ATOM 621 C MET A 42 7.012 1.240 -4.608 1.00 0.00 C ATOM 622 O MET A 42 6.858 0.133 -5.148 1.00 0.00 O ATOM 623 CB MET A 42 9.097 2.297 -3.603 1.00 0.00 C ATOM 624 CG MET A 42 9.859 1.066 -3.127 1.00 0.00 C ATOM 625 SD MET A 42 8.785 -0.241 -2.510 1.00 0.00 S ATOM 626 CE MET A 42 9.993 -1.342 -1.777 1.00 0.00 C ATOM 0 H MET A 42 8.067 4.188 -4.758 1.00 0.00 H new ATOM 0 HA MET A 42 8.862 1.573 -5.625 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.811 3.102 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.434 2.626 -2.803 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.457 0.677 -3.951 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.553 1.359 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.965 -2.305 -2.287 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.988 -0.908 -1.876 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.763 -1.484 -0.721 1.00 0.00 H new ATOM 636 N LEU A 43 6.105 1.782 -3.795 1.00 0.00 N ATOM 637 CA LEU A 43 4.824 1.132 -3.492 1.00 0.00 C ATOM 638 C LEU A 43 4.045 0.804 -4.772 1.00 0.00 C ATOM 639 O LEU A 43 3.493 -0.286 -4.918 1.00 0.00 O ATOM 640 CB LEU A 43 3.980 2.050 -2.594 1.00 0.00 C ATOM 641 CG LEU A 43 4.560 2.306 -1.193 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.864 3.488 -0.527 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.443 1.052 -0.326 1.00 0.00 C ATOM 0 H LEU A 43 6.234 2.680 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 43 5.033 0.196 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.853 3.008 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.987 1.613 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 43 5.617 2.551 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.290 3.651 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.005 4.382 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.799 3.277 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.859 1.252 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.394 0.774 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.993 0.235 -0.792 1.00 0.00 H new ATOM 655 N ARG A 44 4.011 1.758 -5.697 1.00 0.00 N ATOM 656 CA ARG A 44 3.317 1.582 -6.972 1.00 0.00 C ATOM 657 C ARG A 44 3.878 0.385 -7.749 1.00 0.00 C ATOM 658 O ARG A 44 3.125 -0.454 -8.240 1.00 0.00 O ATOM 659 CB ARG A 44 3.435 2.859 -7.814 1.00 0.00 C ATOM 660 CG ARG A 44 2.547 2.867 -9.052 1.00 0.00 C ATOM 661 CD ARG A 44 2.657 4.183 -9.812 1.00 0.00 C ATOM 662 NE ARG A 44 1.669 4.289 -10.877 1.00 0.00 N ATOM 663 CZ ARG A 44 1.283 5.418 -11.398 1.00 0.00 C ATOM 664 NH1 ARG A 44 1.798 6.542 -10.996 1.00 0.00 N ATOM 665 NH2 ARG A 44 0.384 5.423 -12.321 1.00 0.00 N ATOM 0 H ARG A 44 4.459 2.668 -5.588 1.00 0.00 H new ATOM 0 HA ARG A 44 2.266 1.385 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.182 3.717 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.473 2.984 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.828 2.043 -9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.511 2.701 -8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.530 5.013 -9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.657 4.273 -10.236 1.00 0.00 H new ATOM 0 HE ARG A 44 1.255 3.428 -11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.511 6.544 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.489 7.421 -11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.023 4.544 -12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.079 6.306 -12.731 1.00 0.00 H new ATOM 679 N GLY A 45 5.205 0.304 -7.845 1.00 0.00 N ATOM 680 CA GLY A 45 5.839 -0.829 -8.514 1.00 0.00 C ATOM 681 C GLY A 45 5.436 -2.178 -7.916 1.00 0.00 C ATOM 682 O GLY A 45 5.368 -3.185 -8.621 1.00 0.00 O ATOM 0 H GLY A 45 5.853 0.999 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.575 -0.813 -9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.922 -0.720 -8.454 1.00 0.00 H new ATOM 686 N ILE A 46 5.166 -2.195 -6.610 1.00 0.00 N ATOM 687 CA ILE A 46 4.726 -3.421 -5.923 1.00 0.00 C ATOM 688 C ILE A 46 3.221 -3.711 -6.125 1.00 0.00 C ATOM 689 O ILE A 46 2.838 -4.799 -6.560 1.00 0.00 O ATOM 690 CB ILE A 46 5.011 -3.329 -4.404 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.504 -3.072 -4.151 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.546 -4.598 -3.685 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.843 -2.853 -2.693 1.00 0.00 C ATOM 0 H ILE A 46 5.242 -1.378 -6.004 1.00 0.00 H new ATOM 0 HA ILE A 46 5.295 -4.237 -6.368 1.00 0.00 H new ATOM 0 HB ILE A 46 4.447 -2.489 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.078 -3.919 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.816 -2.198 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.757 -4.510 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.474 -4.728 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.076 -5.460 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.914 -2.678 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.296 -1.988 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.563 -3.736 -2.118 1.00 0.00 H new ATOM 705 N PHE A 47 2.376 -2.732 -5.797 1.00 0.00 N ATOM 706 CA PHE A 47 0.914 -2.922 -5.778 1.00 0.00 C ATOM 707 C PHE A 47 0.259 -2.853 -7.175 1.00 0.00 C ATOM 708 O PHE A 47 -0.723 -3.551 -7.436 1.00 0.00 O ATOM 709 CB PHE A 47 0.260 -1.869 -4.868 1.00 0.00 C ATOM 710 CG PHE A 47 0.493 -2.074 -3.389 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.701 -1.730 -2.802 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.511 -2.598 -2.584 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.905 -1.907 -1.445 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.314 -2.771 -1.229 1.00 0.00 C ATOM 715 CZ PHE A 47 0.896 -2.426 -0.659 1.00 0.00 C ATOM 0 H PHE A 47 2.676 -1.792 -5.539 1.00 0.00 H new ATOM 0 HA PHE A 47 0.747 -3.929 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.636 -0.885 -5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.814 -1.865 -5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.492 -1.319 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.458 -2.874 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.853 -1.639 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.105 -3.176 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.052 -2.562 0.401 1.00 0.00 H new ATOM 725 N GLU A 48 0.791 -2.019 -8.068 1.00 0.00 N ATOM 726 CA GLU A 48 0.137 -1.760 -9.366 1.00 0.00 C ATOM 727 C GLU A 48 -0.017 -3.028 -10.235 1.00 0.00 C ATOM 728 O GLU A 48 -1.046 -3.182 -10.903 1.00 0.00 O ATOM 729 CB GLU A 48 0.867 -0.646 -10.135 1.00 0.00 C ATOM 730 CG GLU A 48 0.104 -0.140 -11.361 1.00 0.00 C ATOM 731 CD GLU A 48 0.384 1.326 -11.671 1.00 0.00 C ATOM 732 OE1 GLU A 48 1.369 1.621 -12.378 1.00 0.00 O ATOM 733 OE2 GLU A 48 -0.389 2.190 -11.204 1.00 0.00 O ATOM 0 H GLU A 48 1.664 -1.512 -7.926 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.875 -1.424 -9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.047 0.191 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.842 -1.015 -10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.373 -0.747 -12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.965 -0.274 -11.198 1.00 0.00 H new ATOM 740 N PRO A 49 0.984 -3.952 -10.258 1.00 0.00 N ATOM 741 CA PRO A 49 0.841 -5.264 -10.928 1.00 0.00 C ATOM 742 C PRO A 49 -0.484 -5.988 -10.604 1.00 0.00 C ATOM 743 O PRO A 49 -0.967 -6.793 -11.404 1.00 0.00 O ATOM 744 CB PRO A 49 2.032 -6.059 -10.381 1.00 0.00 C ATOM 745 CG PRO A 49 3.079 -5.025 -10.139 1.00 0.00 C ATOM 746 CD PRO A 49 2.345 -3.782 -9.692 1.00 0.00 C ATOM 0 HA PRO A 49 0.824 -5.156 -12.013 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.772 -6.585 -9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.371 -6.810 -11.094 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.785 -5.356 -9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.654 -4.833 -11.045 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.319 -3.702 -8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.824 -2.878 -10.067 1.00 0.00 H new ATOM 754 N PHE A 50 -1.070 -5.702 -9.435 1.00 0.00 N ATOM 755 CA PHE A 50 -2.367 -6.283 -9.062 1.00 0.00 C ATOM 756 C PHE A 50 -3.502 -5.764 -9.966 1.00 0.00 C ATOM 757 O PHE A 50 -4.127 -6.537 -10.698 1.00 0.00 O ATOM 758 CB PHE A 50 -2.703 -5.982 -7.589 1.00 0.00 C ATOM 759 CG PHE A 50 -1.939 -6.815 -6.584 1.00 0.00 C ATOM 760 CD1 PHE A 50 -0.715 -6.389 -6.083 1.00 0.00 C ATOM 761 CD2 PHE A 50 -2.459 -8.018 -6.126 1.00 0.00 C ATOM 762 CE1 PHE A 50 -0.029 -7.147 -5.152 1.00 0.00 C ATOM 763 CE2 PHE A 50 -1.778 -8.776 -5.192 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.564 -8.341 -4.704 1.00 0.00 C ATOM 0 H PHE A 50 -0.671 -5.077 -8.735 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.283 -7.361 -9.197 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.504 -4.928 -7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.770 -6.139 -7.434 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.294 -5.455 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.409 -8.366 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.924 -6.807 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.197 -9.709 -4.845 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.032 -8.932 -3.973 1.00 0.00 H new ATOM 774 N GLY A 51 -3.771 -4.457 -9.913 1.00 0.00 N ATOM 775 CA GLY A 51 -4.862 -3.892 -10.705 1.00 0.00 C ATOM 776 C GLY A 51 -4.836 -2.367 -10.815 1.00 0.00 C ATOM 777 O GLY A 51 -5.885 -1.724 -10.749 1.00 0.00 O ATOM 0 H GLY A 51 -3.260 -3.784 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.825 -4.318 -11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.811 -4.197 -10.264 1.00 0.00 H new ATOM 781 N ARG A 52 -3.636 -1.798 -10.977 1.00 0.00 N ATOM 782 CA ARG A 52 -3.464 -0.356 -11.255 1.00 0.00 C ATOM 783 C ARG A 52 -3.786 0.545 -10.034 1.00 0.00 C ATOM 784 O ARG A 52 -4.861 0.456 -9.438 1.00 0.00 O ATOM 785 CB ARG A 52 -4.332 0.053 -12.460 1.00 0.00 C ATOM 786 CG ARG A 52 -4.113 1.481 -12.956 1.00 0.00 C ATOM 787 CD ARG A 52 -2.724 1.680 -13.560 1.00 0.00 C ATOM 788 NE ARG A 52 -2.601 2.977 -14.226 1.00 0.00 N ATOM 789 CZ ARG A 52 -2.289 4.092 -13.620 1.00 0.00 C ATOM 790 NH1 ARG A 52 -1.978 4.100 -12.363 1.00 0.00 N ATOM 791 NH2 ARG A 52 -2.255 5.200 -14.287 1.00 0.00 N ATOM 0 H ARG A 52 -2.758 -2.315 -10.921 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.409 -0.203 -11.484 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.135 -0.636 -13.282 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.381 -0.065 -12.190 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.869 1.724 -13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.249 2.176 -12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.972 1.602 -12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.522 0.883 -14.276 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.770 3.013 -15.231 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.974 3.229 -11.833 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.737 4.978 -11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.471 5.202 -15.284 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.012 6.071 -13.816 1.00 0.00 H new ATOM 805 N ILE A 53 -2.841 1.423 -9.680 1.00 0.00 N ATOM 806 CA ILE A 53 -3.048 2.410 -8.605 1.00 0.00 C ATOM 807 C ILE A 53 -3.795 3.648 -9.117 1.00 0.00 C ATOM 808 O ILE A 53 -3.566 4.110 -10.233 1.00 0.00 O ATOM 809 CB ILE A 53 -1.692 2.860 -7.964 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.297 1.931 -6.805 1.00 0.00 C ATOM 811 CG2 ILE A 53 -1.744 4.311 -7.475 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.013 0.509 -7.216 1.00 0.00 C ATOM 0 H ILE A 53 -1.923 1.473 -10.121 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.652 1.916 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.935 2.795 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.413 2.338 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.099 1.930 -6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.783 4.582 -7.037 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.959 4.971 -8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.527 4.414 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.742 -0.077 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.902 0.080 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.189 0.494 -7.930 1.00 0.00 H new ATOM 824 N GLU A 54 -4.696 4.175 -8.288 1.00 0.00 N ATOM 825 CA GLU A 54 -5.381 5.436 -8.584 1.00 0.00 C ATOM 826 C GLU A 54 -4.574 6.613 -8.003 1.00 0.00 C ATOM 827 O GLU A 54 -4.186 7.536 -8.717 1.00 0.00 O ATOM 828 CB GLU A 54 -6.802 5.401 -7.988 1.00 0.00 C ATOM 829 CG GLU A 54 -7.751 6.489 -8.498 1.00 0.00 C ATOM 830 CD GLU A 54 -7.429 7.887 -7.973 1.00 0.00 C ATOM 831 OE1 GLU A 54 -7.592 8.125 -6.758 1.00 0.00 O ATOM 832 OE2 GLU A 54 -7.006 8.753 -8.773 1.00 0.00 O ATOM 0 H GLU A 54 -4.970 3.748 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.458 5.569 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.244 4.427 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.726 5.487 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.718 6.504 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.771 6.231 -8.213 1.00 0.00 H new ATOM 839 N SER A 55 -4.319 6.557 -6.694 1.00 0.00 N ATOM 840 CA SER A 55 -3.545 7.595 -5.989 1.00 0.00 C ATOM 841 C SER A 55 -2.795 7.014 -4.783 1.00 0.00 C ATOM 842 O SER A 55 -3.298 6.126 -4.104 1.00 0.00 O ATOM 843 CB SER A 55 -4.469 8.729 -5.513 1.00 0.00 C ATOM 844 OG SER A 55 -4.887 9.550 -6.595 1.00 0.00 O ATOM 0 H SER A 55 -4.638 5.798 -6.091 1.00 0.00 H new ATOM 0 HA SER A 55 -2.816 7.991 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.343 8.304 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.949 9.337 -4.773 1.00 0.00 H new ATOM 0 HG SER A 55 -4.613 9.140 -7.442 1.00 0.00 H new ATOM 850 N ILE A 56 -1.590 7.522 -4.518 1.00 0.00 N ATOM 851 CA ILE A 56 -0.815 7.116 -3.335 1.00 0.00 C ATOM 852 C ILE A 56 -0.480 8.334 -2.458 1.00 0.00 C ATOM 853 O ILE A 56 0.325 9.188 -2.837 1.00 0.00 O ATOM 854 CB ILE A 56 0.500 6.387 -3.721 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.197 5.149 -4.579 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.282 5.991 -2.466 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.427 4.365 -4.990 1.00 0.00 C ATOM 0 H ILE A 56 -1.126 8.216 -5.104 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.440 6.421 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 56 1.113 7.071 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.472 4.491 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.337 5.464 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.201 5.481 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.528 6.885 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.674 5.324 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.127 3.508 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.088 5.005 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.951 4.017 -4.100 1.00 0.00 H new ATOM 869 N GLN A 57 -1.107 8.413 -1.288 1.00 0.00 N ATOM 870 CA GLN A 57 -0.929 9.555 -0.383 1.00 0.00 C ATOM 871 C GLN A 57 -0.118 9.161 0.860 1.00 0.00 C ATOM 872 O GLN A 57 -0.589 8.396 1.698 1.00 0.00 O ATOM 873 CB GLN A 57 -2.302 10.105 0.038 1.00 0.00 C ATOM 874 CG GLN A 57 -3.222 10.438 -1.136 1.00 0.00 C ATOM 875 CD GLN A 57 -2.645 11.484 -2.082 1.00 0.00 C ATOM 876 OE1 GLN A 57 -2.915 11.470 -3.280 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.868 12.413 -1.558 1.00 0.00 N ATOM 0 H GLN A 57 -1.746 7.699 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.374 10.328 -0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.795 9.373 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.154 11.003 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.427 9.526 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.176 10.796 -0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.660 12.400 -0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.475 13.144 -2.152 1.00 0.00 H new ATOM 886 N LEU A 58 1.096 9.693 0.986 1.00 0.00 N ATOM 887 CA LEU A 58 1.965 9.361 2.122 1.00 0.00 C ATOM 888 C LEU A 58 1.893 10.449 3.204 1.00 0.00 C ATOM 889 O LEU A 58 1.824 11.638 2.898 1.00 0.00 O ATOM 890 CB LEU A 58 3.417 9.188 1.649 1.00 0.00 C ATOM 891 CG LEU A 58 3.619 8.197 0.489 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.105 7.973 0.226 1.00 0.00 C ATOM 893 CD2 LEU A 58 2.911 6.871 0.767 1.00 0.00 C ATOM 0 H LEU A 58 1.502 10.352 0.322 1.00 0.00 H new ATOM 0 HA LEU A 58 1.616 8.423 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.800 10.162 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.020 8.859 2.495 1.00 0.00 H new ATOM 0 HG LEU A 58 3.174 8.631 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.227 7.269 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.575 8.921 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.576 7.568 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.071 6.191 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.314 6.427 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.843 7.048 0.891 1.00 0.00 H new ATOM 905 N MET A 59 1.919 10.040 4.473 1.00 0.00 N ATOM 906 CA MET A 59 1.775 10.985 5.586 1.00 0.00 C ATOM 907 C MET A 59 3.143 11.460 6.102 1.00 0.00 C ATOM 908 O MET A 59 3.849 10.731 6.804 1.00 0.00 O ATOM 909 CB MET A 59 0.970 10.349 6.726 1.00 0.00 C ATOM 910 CG MET A 59 -0.385 9.809 6.291 1.00 0.00 C ATOM 911 SD MET A 59 -1.400 9.261 7.677 1.00 0.00 S ATOM 912 CE MET A 59 -1.619 10.796 8.578 1.00 0.00 C ATOM 0 H MET A 59 2.038 9.068 4.757 1.00 0.00 H new ATOM 0 HA MET A 59 1.237 11.857 5.214 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.552 9.537 7.161 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.821 11.090 7.511 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.919 10.583 5.740 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.235 8.975 5.605 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.660 10.890 8.889 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.976 10.796 9.458 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.355 11.636 7.936 1.00 0.00 H new ATOM 1033 N LYS A 68 6.335 9.973 8.537 1.00 0.00 N ATOM 1034 CA LYS A 68 5.789 9.296 9.727 1.00 0.00 C ATOM 1035 C LYS A 68 5.900 7.763 9.617 1.00 0.00 C ATOM 1036 O LYS A 68 5.969 7.065 10.630 1.00 0.00 O ATOM 1037 CB LYS A 68 4.324 9.710 9.964 1.00 0.00 C ATOM 1038 CG LYS A 68 4.160 11.101 10.576 1.00 0.00 C ATOM 1039 CD LYS A 68 2.690 11.443 10.815 1.00 0.00 C ATOM 1040 CE LYS A 68 2.519 12.641 11.747 1.00 0.00 C ATOM 1041 NZ LYS A 68 3.162 13.876 11.223 1.00 0.00 N ATOM 0 HA LYS A 68 6.388 9.611 10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.790 9.677 9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.852 8.978 10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.703 11.150 11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.604 11.845 9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.209 11.656 9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.182 10.578 11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.456 12.827 11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.944 12.401 12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.957 14.671 11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.191 13.734 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.788 14.087 10.276 1.00 0.00 H new ATOM 1055 N GLY A 69 5.910 7.242 8.390 1.00 0.00 N ATOM 1056 CA GLY A 69 6.122 5.806 8.183 1.00 0.00 C ATOM 1057 C GLY A 69 4.934 5.075 7.558 1.00 0.00 C ATOM 1058 O GLY A 69 5.040 3.894 7.214 1.00 0.00 O ATOM 0 H GLY A 69 5.776 7.782 7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.994 5.668 7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.353 5.343 9.142 1.00 0.00 H new ATOM 1062 N TYR A 70 3.807 5.765 7.396 1.00 0.00 N ATOM 1063 CA TYR A 70 2.601 5.152 6.827 1.00 0.00 C ATOM 1064 C TYR A 70 1.920 6.057 5.785 1.00 0.00 C ATOM 1065 O TYR A 70 2.034 7.285 5.831 1.00 0.00 O ATOM 1066 CB TYR A 70 1.615 4.765 7.945 1.00 0.00 C ATOM 1067 CG TYR A 70 1.483 5.795 9.060 1.00 0.00 C ATOM 1068 CD1 TYR A 70 0.822 7.000 8.854 1.00 0.00 C ATOM 1069 CD2 TYR A 70 2.019 5.552 10.323 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.701 7.931 9.869 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.901 6.478 11.343 1.00 0.00 C ATOM 1072 CZ TYR A 70 1.240 7.666 11.112 1.00 0.00 C ATOM 1073 OH TYR A 70 1.121 8.594 12.126 1.00 0.00 O ATOM 0 H TYR A 70 3.700 6.747 7.649 1.00 0.00 H new ATOM 0 HA TYR A 70 2.914 4.248 6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.632 4.599 7.503 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.933 3.817 8.380 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.396 7.213 7.885 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.537 4.622 10.509 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.186 8.863 9.690 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.324 6.272 12.315 1.00 0.00 H new ATOM 0 HH TYR A 70 1.554 8.251 12.936 1.00 0.00 H new ATOM 1083 N GLY A 71 1.230 5.429 4.832 1.00 0.00 N ATOM 1084 CA GLY A 71 0.511 6.162 3.796 1.00 0.00 C ATOM 1085 C GLY A 71 -0.715 5.409 3.283 1.00 0.00 C ATOM 1086 O GLY A 71 -0.808 4.191 3.420 1.00 0.00 O ATOM 0 H GLY A 71 1.155 4.414 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.199 7.129 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.185 6.360 2.963 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.654 6.136 2.688 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.887 5.541 2.163 1.00 0.00 C ATOM 1092 C PHE A 72 -2.825 5.364 0.636 1.00 0.00 C ATOM 1093 O PHE A 72 -2.664 6.334 -0.106 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.097 6.411 2.536 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.304 6.561 4.024 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -5.051 5.629 4.730 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.756 7.635 4.714 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -5.245 5.765 6.090 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -3.950 7.773 6.073 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.696 6.838 6.762 1.00 0.00 C ATOM 0 H PHE A 72 -1.588 7.145 2.555 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.995 4.554 2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.972 7.400 2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.995 5.977 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.485 4.788 4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.172 8.370 4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.827 5.031 6.628 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.518 8.612 6.598 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.850 6.946 7.826 1.00 0.00 H new ATOM 1110 N ILE A 73 -2.957 4.121 0.173 1.00 0.00 N ATOM 1111 CA ILE A 73 -2.954 3.815 -1.264 1.00 0.00 C ATOM 1112 C ILE A 73 -4.375 3.525 -1.775 1.00 0.00 C ATOM 1113 O ILE A 73 -5.022 2.565 -1.355 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.037 2.608 -1.586 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.598 2.905 -1.133 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.078 2.277 -3.082 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.364 1.752 -1.339 1.00 0.00 C ATOM 0 H ILE A 73 -3.068 3.304 0.773 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.565 4.697 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.402 1.738 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.229 3.774 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.608 3.171 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.427 1.427 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.099 2.029 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.737 3.139 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.357 2.041 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.021 0.886 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.407 1.499 -2.398 1.00 0.00 H new ATOM 1129 N THR A 74 -4.847 4.363 -2.687 1.00 0.00 N ATOM 1130 CA THR A 74 -6.200 4.237 -3.245 1.00 0.00 C ATOM 1131 C THR A 74 -6.185 3.553 -4.624 1.00 0.00 C ATOM 1132 O THR A 74 -5.478 3.984 -5.539 1.00 0.00 O ATOM 1133 CB THR A 74 -6.883 5.624 -3.388 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.888 6.312 -2.127 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.317 5.486 -3.896 1.00 0.00 C ATOM 0 H THR A 74 -4.313 5.146 -3.063 1.00 0.00 H new ATOM 0 HA THR A 74 -6.765 3.621 -2.545 1.00 0.00 H new ATOM 0 HB THR A 74 -6.310 6.200 -4.115 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.320 7.185 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.768 6.474 -3.985 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.312 5.000 -4.871 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.895 4.885 -3.194 1.00 0.00 H new ATOM 1143 N PHE A 75 -6.970 2.485 -4.758 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.142 1.782 -6.039 1.00 0.00 C ATOM 1145 C PHE A 75 -8.490 2.140 -6.680 1.00 0.00 C ATOM 1146 O PHE A 75 -9.462 2.430 -5.978 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.068 0.264 -5.828 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.739 -0.221 -5.304 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.441 -0.141 -3.951 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.790 -0.759 -6.162 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.227 -0.588 -3.466 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.576 -1.209 -5.680 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.296 -1.123 -4.332 1.00 0.00 C ATOM 0 H PHE A 75 -7.504 2.080 -3.989 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.338 2.096 -6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.852 -0.034 -5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.277 -0.234 -6.775 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.167 0.276 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.003 -0.827 -7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.007 -0.519 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.847 -1.628 -6.358 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.347 -1.475 -3.954 1.00 0.00 H new ATOM 1163 N SER A 76 -8.553 2.110 -8.010 1.00 0.00 N ATOM 1164 CA SER A 76 -9.803 2.417 -8.731 1.00 0.00 C ATOM 1165 C SER A 76 -10.829 1.281 -8.596 1.00 0.00 C ATOM 1166 O SER A 76 -11.998 1.445 -8.947 1.00 0.00 O ATOM 1167 CB SER A 76 -9.527 2.691 -10.220 1.00 0.00 C ATOM 1168 OG SER A 76 -10.732 2.950 -10.939 1.00 0.00 O ATOM 0 H SER A 76 -7.764 1.879 -8.613 1.00 0.00 H new ATOM 0 HA SER A 76 -10.222 3.314 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.855 3.544 -10.315 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.017 1.834 -10.660 1.00 0.00 H new ATOM 0 HG SER A 76 -11.495 2.591 -10.439 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.385 0.131 -8.092 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.263 -1.026 -7.890 1.00 0.00 C ATOM 1176 C ASP A 77 -11.183 -1.533 -6.435 1.00 0.00 C ATOM 1177 O ASP A 77 -10.119 -1.504 -5.813 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.878 -2.142 -8.868 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.815 -3.330 -8.785 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -12.861 -3.319 -9.466 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.523 -4.274 -8.029 1.00 0.00 O ATOM 0 H ASP A 77 -9.417 -0.027 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.292 -0.721 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.883 -1.749 -9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.860 -2.470 -8.658 1.00 0.00 H new ATOM 1186 N SER A 78 -12.314 -2.001 -5.903 1.00 0.00 N ATOM 1187 CA SER A 78 -12.389 -2.466 -4.508 1.00 0.00 C ATOM 1188 C SER A 78 -11.810 -3.879 -4.338 1.00 0.00 C ATOM 1189 O SER A 78 -11.063 -4.145 -3.393 1.00 0.00 O ATOM 1190 CB SER A 78 -13.842 -2.449 -4.006 1.00 0.00 C ATOM 1191 OG SER A 78 -14.405 -1.144 -4.049 1.00 0.00 O ATOM 0 H SER A 78 -13.194 -2.070 -6.414 1.00 0.00 H new ATOM 0 HA SER A 78 -11.788 -1.777 -3.915 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.444 -3.124 -4.615 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.877 -2.825 -2.984 1.00 0.00 H new ATOM 0 HG SER A 78 -15.329 -1.175 -3.724 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.143 -4.783 -5.256 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.718 -6.185 -5.145 1.00 0.00 C ATOM 1199 C GLU A 79 -10.201 -6.334 -5.363 1.00 0.00 C ATOM 1200 O GLU A 79 -9.552 -7.173 -4.735 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.500 -7.058 -6.137 1.00 0.00 C ATOM 1202 CG GLU A 79 -12.225 -8.553 -5.993 1.00 0.00 C ATOM 1203 CD GLU A 79 -13.169 -9.407 -6.825 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -12.877 -9.638 -8.016 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -14.211 -9.843 -6.295 1.00 0.00 O ATOM 0 H GLU A 79 -12.703 -4.576 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.937 -6.524 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.567 -6.880 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.252 -6.749 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.197 -8.759 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.315 -8.835 -4.944 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.642 -5.512 -6.249 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.190 -5.478 -6.464 1.00 0.00 C ATOM 1214 C CYS A 80 -7.450 -5.104 -5.174 1.00 0.00 C ATOM 1215 O CYS A 80 -6.424 -5.699 -4.833 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.829 -4.478 -7.562 1.00 0.00 C ATOM 1217 SG CYS A 80 -6.050 -4.241 -7.780 1.00 0.00 S ATOM 0 H CYS A 80 -10.168 -4.860 -6.831 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.881 -6.477 -6.771 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.259 -4.817 -8.505 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.288 -3.517 -7.330 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.822 -3.032 -8.201 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.976 -4.107 -4.467 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.426 -3.694 -3.174 1.00 0.00 C ATOM 1225 C ALA A 81 -7.565 -4.815 -2.133 1.00 0.00 C ATOM 1226 O ALA A 81 -6.654 -5.062 -1.341 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.122 -2.427 -2.691 1.00 0.00 C ATOM 0 H ALA A 81 -8.787 -3.566 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.364 -3.486 -3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.706 -2.128 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.969 -1.628 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.190 -2.618 -2.581 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.718 -5.486 -2.150 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.974 -6.638 -1.278 1.00 0.00 C ATOM 1235 C LYS A 82 -7.907 -7.731 -1.481 1.00 0.00 C ATOM 1236 O LYS A 82 -7.360 -8.277 -0.518 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.374 -7.199 -1.578 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.786 -8.377 -0.701 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.153 -8.934 -1.104 1.00 0.00 C ATOM 1240 CE LYS A 82 -13.257 -7.885 -0.994 1.00 0.00 C ATOM 1241 NZ LYS A 82 -14.583 -8.420 -1.405 1.00 0.00 N ATOM 0 H LYS A 82 -9.497 -5.250 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.925 -6.312 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.105 -6.400 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.411 -7.510 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.036 -9.165 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.815 -8.061 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.106 -9.303 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.398 -9.785 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.314 -7.527 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.004 -7.027 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.302 -7.674 -1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.537 -8.738 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.838 -9.222 -0.794 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.617 -8.037 -2.748 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.588 -9.021 -3.106 1.00 0.00 C ATOM 1257 C LYS A 83 -5.199 -8.581 -2.613 1.00 0.00 C ATOM 1258 O LYS A 83 -4.519 -9.321 -1.905 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.565 -9.226 -4.630 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.499 -10.209 -5.114 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.486 -10.316 -6.640 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.382 -11.243 -7.140 1.00 0.00 C ATOM 1263 NZ LYS A 83 -4.355 -11.325 -8.625 1.00 0.00 N ATOM 0 H LYS A 83 -8.084 -7.614 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.837 -9.963 -2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.544 -9.581 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.401 -8.263 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.519 -9.887 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.685 -11.192 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.452 -10.684 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.350 -9.324 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.417 -10.886 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.529 -12.240 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.591 -11.965 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.266 -11.690 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.189 -10.378 -9.022 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.793 -7.366 -2.988 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.478 -6.832 -2.605 1.00 0.00 C ATOM 1279 C ALA A 84 -3.260 -6.886 -1.086 1.00 0.00 C ATOM 1280 O ALA A 84 -2.258 -7.423 -0.609 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.325 -5.402 -3.115 1.00 0.00 C ATOM 0 H ALA A 84 -5.354 -6.731 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.716 -7.461 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.348 -5.015 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.413 -5.392 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.105 -4.776 -2.682 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.215 -6.343 -0.331 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.147 -6.338 1.134 1.00 0.00 C ATOM 1289 C LEU A 85 -3.935 -7.753 1.696 1.00 0.00 C ATOM 1290 O LEU A 85 -2.986 -8.002 2.437 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.436 -5.705 1.707 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.555 -5.616 3.252 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.497 -4.481 3.648 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.055 -6.931 3.854 1.00 0.00 C ATOM 0 H LEU A 85 -5.050 -5.898 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.287 -5.742 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.526 -4.697 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.287 -6.275 1.335 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.558 -5.417 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.570 -4.431 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.109 -3.536 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.485 -4.664 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.126 -6.832 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.038 -7.167 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.358 -7.732 3.608 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.810 -8.677 1.317 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.802 -10.029 1.881 1.00 0.00 C ATOM 1308 C GLU A 86 -3.518 -10.811 1.533 1.00 0.00 C ATOM 1309 O GLU A 86 -3.119 -11.714 2.273 1.00 0.00 O ATOM 1310 CB GLU A 86 -6.048 -10.792 1.406 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.253 -12.139 2.091 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.574 -12.791 1.713 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.624 -13.509 0.693 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -8.575 -12.584 2.434 1.00 0.00 O ATOM 0 H GLU A 86 -5.537 -8.518 0.620 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.820 -9.934 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.928 -10.172 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.975 -10.951 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.433 -12.806 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.215 -12.003 3.172 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.856 -10.456 0.429 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.655 -11.187 -0.010 1.00 0.00 C ATOM 1323 C GLN A 87 -0.347 -10.520 0.470 1.00 0.00 C ATOM 1324 O GLN A 87 0.714 -11.149 0.472 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.641 -11.309 -1.544 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.906 -11.928 -2.155 1.00 0.00 C ATOM 1327 CD GLN A 87 -3.201 -13.352 -1.691 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -2.898 -13.745 -0.570 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -3.804 -14.141 -2.558 1.00 0.00 N ATOM 0 H GLN A 87 -3.123 -9.678 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.702 -12.177 0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.497 -10.317 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.781 -11.911 -1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.759 -11.295 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.808 -11.926 -3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.046 -13.790 -3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.029 -15.102 -2.302 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.424 -9.249 0.866 1.00 0.00 N ATOM 1339 CA LEU A 88 0.770 -8.472 1.262 1.00 0.00 C ATOM 1340 C LEU A 88 0.794 -8.126 2.758 1.00 0.00 C ATOM 1341 O LEU A 88 1.863 -7.891 3.324 1.00 0.00 O ATOM 1342 CB LEU A 88 0.834 -7.176 0.443 1.00 0.00 C ATOM 1343 CG LEU A 88 1.032 -7.361 -1.072 1.00 0.00 C ATOM 1344 CD1 LEU A 88 1.054 -6.013 -1.785 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.308 -8.155 -1.365 1.00 0.00 C ATOM 0 H LEU A 88 -1.299 -8.727 0.924 1.00 0.00 H new ATOM 0 HA LEU A 88 1.637 -9.101 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.088 -6.617 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.650 -6.564 0.827 1.00 0.00 H new ATOM 0 HG LEU A 88 0.186 -7.932 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.195 -6.169 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.109 -5.496 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.873 -5.409 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.425 -8.272 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.169 -7.621 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.240 -9.138 -0.899 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.372 -8.082 3.393 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.465 -7.683 4.800 1.00 0.00 C ATOM 1359 C ASN A 89 0.353 -8.622 5.710 1.00 0.00 C ATOM 1360 O ASN A 89 -0.076 -9.734 6.031 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.927 -7.651 5.252 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.090 -7.052 6.633 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.308 -6.205 7.055 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.096 -7.490 7.352 1.00 0.00 N ATOM 0 H ASN A 89 -1.266 -8.316 2.961 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.044 -6.681 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.513 -7.074 4.537 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.328 -8.665 5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.247 -7.126 8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.727 -8.195 6.970 1.00 0.00 H new ATOM 1371 N GLY A 90 1.537 -8.163 6.111 1.00 0.00 N ATOM 1372 CA GLY A 90 2.424 -8.967 6.949 1.00 0.00 C ATOM 1373 C GLY A 90 3.782 -9.228 6.302 1.00 0.00 C ATOM 1374 O GLY A 90 4.729 -9.626 6.977 1.00 0.00 O ATOM 0 H GLY A 90 1.903 -7.242 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.573 -8.459 7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.943 -9.920 7.168 1.00 0.00 H new ATOM 1378 N PHE A 91 3.877 -9.003 4.990 1.00 0.00 N ATOM 1379 CA PHE A 91 5.124 -9.226 4.242 1.00 0.00 C ATOM 1380 C PHE A 91 6.256 -8.293 4.724 1.00 0.00 C ATOM 1381 O PHE A 91 6.060 -7.084 4.833 1.00 0.00 O ATOM 1382 CB PHE A 91 4.872 -9.005 2.741 1.00 0.00 C ATOM 1383 CG PHE A 91 6.102 -9.172 1.879 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.574 -10.437 1.554 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.788 -8.063 1.400 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.703 -10.591 0.771 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.919 -8.213 0.619 1.00 0.00 C ATOM 1388 CZ PHE A 91 8.376 -9.478 0.303 1.00 0.00 C ATOM 0 H PHE A 91 3.103 -8.665 4.418 1.00 0.00 H new ATOM 0 HA PHE A 91 5.442 -10.253 4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.108 -9.705 2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.472 -8.002 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.053 -11.311 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.434 -7.072 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.059 -11.581 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.445 -7.342 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.258 -9.597 -0.309 1.00 0.00 H new ATOM 1398 N GLU A 92 7.437 -8.851 5.015 1.00 0.00 N ATOM 1399 CA GLU A 92 8.600 -8.025 5.384 1.00 0.00 C ATOM 1400 C GLU A 92 9.059 -7.155 4.205 1.00 0.00 C ATOM 1401 O GLU A 92 9.831 -7.599 3.350 1.00 0.00 O ATOM 1402 CB GLU A 92 9.776 -8.890 5.884 1.00 0.00 C ATOM 1403 CG GLU A 92 9.737 -9.219 7.377 1.00 0.00 C ATOM 1404 CD GLU A 92 8.507 -10.002 7.800 1.00 0.00 C ATOM 1405 OE1 GLU A 92 8.379 -11.177 7.396 1.00 0.00 O ATOM 1406 OE2 GLU A 92 7.672 -9.456 8.551 1.00 0.00 O ATOM 0 H GLU A 92 7.615 -9.855 5.004 1.00 0.00 H new ATOM 0 HA GLU A 92 8.281 -7.374 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.789 -9.823 5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.710 -8.372 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.628 -9.791 7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.778 -8.290 7.945 1.00 0.00 H new ATOM 1413 N LEU A 93 8.571 -5.921 4.161 1.00 0.00 N ATOM 1414 CA LEU A 93 8.922 -4.982 3.097 1.00 0.00 C ATOM 1415 C LEU A 93 10.208 -4.214 3.429 1.00 0.00 C ATOM 1416 O LEU A 93 10.255 -3.450 4.397 1.00 0.00 O ATOM 1417 CB LEU A 93 7.775 -3.993 2.865 1.00 0.00 C ATOM 1418 CG LEU A 93 8.043 -2.944 1.780 1.00 0.00 C ATOM 1419 CD1 LEU A 93 8.239 -3.618 0.427 1.00 0.00 C ATOM 1420 CD2 LEU A 93 6.912 -1.922 1.720 1.00 0.00 C ATOM 0 H LEU A 93 7.926 -5.543 4.855 1.00 0.00 H new ATOM 0 HA LEU A 93 9.094 -5.559 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.879 -4.553 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.561 -3.480 3.802 1.00 0.00 H new ATOM 0 HG LEU A 93 8.960 -2.412 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.428 -2.860 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.088 -4.299 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.341 -4.177 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.125 -1.188 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.975 -2.430 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.827 -1.417 2.682 1.00 0.00 H new ATOM 1432 N ALA A 94 11.254 -4.433 2.631 1.00 0.00 N ATOM 1433 CA ALA A 94 12.531 -3.726 2.802 1.00 0.00 C ATOM 1434 C ALA A 94 13.108 -3.903 4.221 1.00 0.00 C ATOM 1435 O ALA A 94 13.913 -3.089 4.679 1.00 0.00 O ATOM 1436 CB ALA A 94 12.354 -2.245 2.478 1.00 0.00 C ATOM 0 H ALA A 94 11.245 -5.096 1.856 1.00 0.00 H new ATOM 0 HA ALA A 94 13.247 -4.165 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.305 -1.728 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.019 -2.136 1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.612 -1.812 3.149 1.00 0.00 H new ATOM 1442 N GLY A 95 12.684 -4.971 4.907 1.00 0.00 N ATOM 1443 CA GLY A 95 13.188 -5.272 6.248 1.00 0.00 C ATOM 1444 C GLY A 95 12.164 -5.051 7.365 1.00 0.00 C ATOM 1445 O GLY A 95 12.406 -5.432 8.515 1.00 0.00 O ATOM 0 H GLY A 95 11.996 -5.637 4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.521 -6.310 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.063 -4.652 6.444 1.00 0.00 H new ATOM 1449 N ARG A 96 11.026 -4.442 7.041 1.00 0.00 N ATOM 1450 CA ARG A 96 9.963 -4.215 8.029 1.00 0.00 C ATOM 1451 C ARG A 96 8.600 -4.674 7.480 1.00 0.00 C ATOM 1452 O ARG A 96 8.265 -4.382 6.334 1.00 0.00 O ATOM 1453 CB ARG A 96 9.914 -2.726 8.415 1.00 0.00 C ATOM 1454 CG ARG A 96 9.029 -2.431 9.628 1.00 0.00 C ATOM 1455 CD ARG A 96 9.071 -0.958 10.027 1.00 0.00 C ATOM 1456 NE ARG A 96 8.341 -0.705 11.273 1.00 0.00 N ATOM 1457 CZ ARG A 96 8.077 0.485 11.746 1.00 0.00 C ATOM 1458 NH1 ARG A 96 8.455 1.549 11.114 1.00 0.00 N ATOM 1459 NH2 ARG A 96 7.439 0.607 12.862 1.00 0.00 N ATOM 0 H ARG A 96 10.812 -4.096 6.106 1.00 0.00 H new ATOM 0 HA ARG A 96 10.184 -4.804 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.927 -2.381 8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.550 -2.151 7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.001 -2.716 9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.353 -3.043 10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.108 -0.644 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.643 -0.353 9.227 1.00 0.00 H new ATOM 0 HE ARG A 96 8.017 -1.512 11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.966 1.466 10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.242 2.471 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.142 -0.224 13.373 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.232 1.535 13.232 1.00 0.00 H new ATOM 1473 N PRO A 97 7.792 -5.402 8.285 1.00 0.00 N ATOM 1474 CA PRO A 97 6.491 -5.936 7.840 1.00 0.00 C ATOM 1475 C PRO A 97 5.592 -4.876 7.185 1.00 0.00 C ATOM 1476 O PRO A 97 5.638 -3.695 7.535 1.00 0.00 O ATOM 1477 CB PRO A 97 5.847 -6.472 9.135 1.00 0.00 C ATOM 1478 CG PRO A 97 6.674 -5.912 10.248 1.00 0.00 C ATOM 1479 CD PRO A 97 8.059 -5.760 9.687 1.00 0.00 C ATOM 0 HA PRO A 97 6.621 -6.696 7.069 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.808 -6.154 9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.849 -7.562 9.153 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.280 -4.953 10.584 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.672 -6.578 11.111 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.624 -4.985 10.204 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.634 -6.682 9.769 1.00 0.00 H new ATOM 1487 N MET A 98 4.762 -5.310 6.246 1.00 0.00 N ATOM 1488 CA MET A 98 3.879 -4.404 5.522 1.00 0.00 C ATOM 1489 C MET A 98 2.487 -4.411 6.161 1.00 0.00 C ATOM 1490 O MET A 98 1.719 -5.360 6.007 1.00 0.00 O ATOM 1491 CB MET A 98 3.793 -4.827 4.045 1.00 0.00 C ATOM 1492 CG MET A 98 3.079 -3.820 3.154 1.00 0.00 C ATOM 1493 SD MET A 98 2.785 -4.441 1.483 1.00 0.00 S ATOM 1494 CE MET A 98 4.454 -4.798 0.932 1.00 0.00 C ATOM 0 H MET A 98 4.681 -6.288 5.967 1.00 0.00 H new ATOM 0 HA MET A 98 4.282 -3.393 5.574 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.802 -4.984 3.663 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.276 -5.784 3.981 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.126 -3.552 3.609 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.673 -2.908 3.098 1.00 0.00 H new ATOM 0 HE1 MET A 98 4.580 -4.452 -0.094 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.168 -4.287 1.578 1.00 0.00 H new ATOM 0 HE3 MET A 98 4.630 -5.873 0.976 1.00 0.00 H new ATOM 1504 N LYS A 99 2.175 -3.349 6.894 1.00 0.00 N ATOM 1505 CA LYS A 99 0.915 -3.263 7.631 1.00 0.00 C ATOM 1506 C LYS A 99 -0.192 -2.677 6.746 1.00 0.00 C ATOM 1507 O LYS A 99 -0.379 -1.461 6.692 1.00 0.00 O ATOM 1508 CB LYS A 99 1.107 -2.398 8.887 1.00 0.00 C ATOM 1509 CG LYS A 99 2.258 -2.850 9.787 1.00 0.00 C ATOM 1510 CD LYS A 99 2.030 -4.236 10.403 1.00 0.00 C ATOM 1511 CE LYS A 99 0.991 -4.227 11.528 1.00 0.00 C ATOM 1512 NZ LYS A 99 -0.392 -3.983 11.036 1.00 0.00 N ATOM 0 H LYS A 99 2.777 -2.532 6.996 1.00 0.00 H new ATOM 0 HA LYS A 99 0.615 -4.267 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.283 -1.367 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.183 -2.406 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.181 -2.864 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.394 -2.121 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.707 -4.926 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.975 -4.615 10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.022 -5.182 12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.255 -3.457 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.048 -4.641 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.670 -3.004 11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.426 -4.133 10.007 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.905 -3.554 6.038 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.976 -3.132 5.126 1.00 0.00 C ATOM 1528 C VAL A 100 -3.363 -3.423 5.728 1.00 0.00 C ATOM 1529 O VAL A 100 -3.713 -4.575 5.981 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.854 -3.834 3.745 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.835 -3.233 2.741 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.426 -3.749 3.218 1.00 0.00 C ATOM 0 H VAL A 100 -0.762 -4.563 6.077 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.868 -2.057 4.983 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.106 -4.886 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.731 -3.741 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.854 -3.357 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.622 -2.172 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.365 -4.247 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.141 -2.703 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.251 -4.236 3.920 1.00 0.00 H new ATOM 1542 N GLY A 101 -4.146 -2.373 5.955 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.456 -2.527 6.588 1.00 0.00 C ATOM 1544 C GLY A 101 -6.476 -1.502 6.106 1.00 0.00 C ATOM 1545 O GLY A 101 -6.112 -0.485 5.517 1.00 0.00 O ATOM 0 H GLY A 101 -3.901 -1.413 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.834 -3.529 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.344 -2.439 7.669 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.761 -1.776 6.333 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.826 -0.833 5.964 1.00 0.00 C ATOM 1551 C HIS A 102 -8.721 0.479 6.762 1.00 0.00 C ATOM 1552 O HIS A 102 -8.125 0.527 7.841 1.00 0.00 O ATOM 1553 CB HIS A 102 -10.208 -1.464 6.194 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.571 -2.526 5.202 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.740 -2.499 4.468 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -9.926 -3.656 4.825 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.797 -3.559 3.688 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -10.711 -4.275 3.886 1.00 0.00 N ATOM 0 H HIS A 102 -8.092 -2.637 6.768 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.703 -0.603 4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.237 -1.893 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -10.963 -0.679 6.162 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -8.973 -4.004 5.194 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.597 -3.799 3.004 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -10.488 -5.152 3.415 1.00 0.00 H new