USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=17 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 Single : A 27 MET CE :methyl -164:sc= 0 (180deg=-0.149) USER MOD Single : A 30 TYR OH : rot -40:sc= 0.6 USER MOD Single : A 33 SER OG : rot -147:sc= 1.42 USER MOD Single : A 35 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-1) USER MOD Single : A 37 ASN : amide:sc= -0.0481 K(o=-0.048,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.44) USER MOD Single : A 59 MET CE :methyl -166:sc= -0.0653 (180deg=-0.317) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0115 (180deg=-0.206) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.177 USER MOD Single : A 80 CYS SG : rot -120:sc= -2.55! USER MOD Single : A 82 LYS NZ :NH3+ 133:sc= 1.2 (180deg=0.251) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= -0.0279 (180deg=-0.186) USER MOD Single : A 87 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.3) USER MOD Single : A 89 ASN : amide:sc= -0.669 K(o=-0.67,f=-4.2!) USER MOD Single : A 98 MET CE :methyl 152:sc= -0.228 (180deg=-0.996) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= 0.174 K(o=0.17,f=-2) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.544 1.934 -5.895 1.00 0.00 N ATOM 360 CA PRO A 26 -13.142 2.159 -5.494 1.00 0.00 C ATOM 361 C PRO A 26 -12.876 1.838 -4.011 1.00 0.00 C ATOM 362 O PRO A 26 -13.805 1.746 -3.203 1.00 0.00 O ATOM 363 CB PRO A 26 -12.945 3.653 -5.770 1.00 0.00 C ATOM 364 CG PRO A 26 -14.298 4.250 -5.568 1.00 0.00 C ATOM 365 CD PRO A 26 -15.288 3.205 -6.029 1.00 0.00 C ATOM 0 HA PRO A 26 -12.455 1.508 -6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.213 4.089 -5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.582 3.825 -6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.459 4.505 -4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.408 5.171 -6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.189 3.208 -5.415 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.603 3.378 -7.058 1.00 0.00 H new ATOM 373 N MET A 27 -11.598 1.682 -3.658 1.00 0.00 N ATOM 374 CA MET A 27 -11.207 1.319 -2.288 1.00 0.00 C ATOM 375 C MET A 27 -9.841 1.926 -1.915 1.00 0.00 C ATOM 376 O MET A 27 -8.930 1.974 -2.738 1.00 0.00 O ATOM 377 CB MET A 27 -11.169 -0.212 -2.155 1.00 0.00 C ATOM 378 CG MET A 27 -10.812 -0.719 -0.763 1.00 0.00 C ATOM 379 SD MET A 27 -10.872 -2.520 -0.660 1.00 0.00 S ATOM 380 CE MET A 27 -10.452 -2.785 1.059 1.00 0.00 C ATOM 0 H MET A 27 -10.814 1.801 -4.300 1.00 0.00 H new ATOM 0 HA MET A 27 -11.946 1.725 -1.597 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.144 -0.612 -2.434 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.446 -0.608 -2.868 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.813 -0.374 -0.497 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.501 -0.292 -0.034 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.172 -3.828 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.616 -2.142 1.333 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.312 -2.547 1.685 1.00 0.00 H new ATOM 390 N ARG A 28 -9.707 2.391 -0.672 1.00 0.00 N ATOM 391 CA ARG A 28 -8.459 3.013 -0.202 1.00 0.00 C ATOM 392 C ARG A 28 -7.808 2.176 0.914 1.00 0.00 C ATOM 393 O ARG A 28 -8.459 1.820 1.898 1.00 0.00 O ATOM 394 CB ARG A 28 -8.742 4.441 0.290 1.00 0.00 C ATOM 395 CG ARG A 28 -7.492 5.231 0.671 1.00 0.00 C ATOM 396 CD ARG A 28 -7.819 6.690 0.975 1.00 0.00 C ATOM 397 NE ARG A 28 -8.716 6.838 2.124 1.00 0.00 N ATOM 398 CZ ARG A 28 -9.854 7.482 2.097 1.00 0.00 C ATOM 399 NH1 ARG A 28 -10.290 8.025 1.003 1.00 0.00 N ATOM 400 NH2 ARG A 28 -10.553 7.597 3.176 1.00 0.00 N ATOM 0 H ARG A 28 -10.445 2.351 0.031 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.759 3.056 -1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.277 4.983 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.404 4.391 1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.024 4.774 1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.768 5.182 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.894 7.233 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.279 7.146 0.098 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.434 6.409 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.743 7.954 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.180 8.523 1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.218 7.186 4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.441 8.099 3.157 1.00 0.00 H new ATOM 414 N LEU A 29 -6.522 1.863 0.747 1.00 0.00 N ATOM 415 CA LEU A 29 -5.783 1.028 1.704 1.00 0.00 C ATOM 416 C LEU A 29 -4.851 1.862 2.599 1.00 0.00 C ATOM 417 O LEU A 29 -4.338 2.905 2.189 1.00 0.00 O ATOM 418 CB LEU A 29 -4.953 -0.024 0.954 1.00 0.00 C ATOM 419 CG LEU A 29 -5.750 -0.964 0.035 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.815 -1.952 -0.662 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.832 -1.703 0.821 1.00 0.00 C ATOM 0 H LEU A 29 -5.964 2.177 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.520 0.541 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.202 0.491 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.417 -0.628 1.686 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.241 -0.361 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.397 -2.609 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.088 -1.404 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.293 -2.548 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.383 -2.362 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.368 -2.294 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.518 -0.981 1.264 1.00 0.00 H new ATOM 433 N TYR A 30 -4.631 1.381 3.818 1.00 0.00 N ATOM 434 CA TYR A 30 -3.708 2.017 4.766 1.00 0.00 C ATOM 435 C TYR A 30 -2.426 1.181 4.914 1.00 0.00 C ATOM 436 O TYR A 30 -2.444 0.113 5.528 1.00 0.00 O ATOM 437 CB TYR A 30 -4.400 2.184 6.129 1.00 0.00 C ATOM 438 CG TYR A 30 -3.492 2.678 7.245 1.00 0.00 C ATOM 439 CD1 TYR A 30 -3.077 4.004 7.299 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.053 1.813 8.245 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.259 4.454 8.318 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.237 2.257 9.268 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.841 3.578 9.298 1.00 0.00 C ATOM 444 OH TYR A 30 -1.029 4.028 10.318 1.00 0.00 O ATOM 0 H TYR A 30 -5.083 0.542 4.181 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.431 3.000 4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.229 2.883 6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.828 1.226 6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.399 4.693 6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.356 0.777 8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.948 5.488 8.347 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.911 1.574 10.039 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.361 4.647 9.956 1.00 0.00 H new ATOM 454 N VAL A 31 -1.325 1.666 4.341 1.00 0.00 N ATOM 455 CA VAL A 31 -0.043 0.941 4.357 1.00 0.00 C ATOM 456 C VAL A 31 0.960 1.572 5.343 1.00 0.00 C ATOM 457 O VAL A 31 1.261 2.761 5.260 1.00 0.00 O ATOM 458 CB VAL A 31 0.590 0.905 2.940 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.892 0.105 2.939 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.400 0.339 1.919 1.00 0.00 C ATOM 0 H VAL A 31 -1.290 2.563 3.856 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.261 -0.075 4.686 1.00 0.00 H new ATOM 0 HB VAL A 31 0.828 1.929 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.313 0.097 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.602 0.565 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.691 -0.918 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.064 0.323 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.679 -0.675 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.291 0.966 1.890 1.00 0.00 H new ATOM 470 N GLY A 32 1.482 0.767 6.270 1.00 0.00 N ATOM 471 CA GLY A 32 2.438 1.267 7.258 1.00 0.00 C ATOM 472 C GLY A 32 3.730 0.449 7.333 1.00 0.00 C ATOM 473 O GLY A 32 3.780 -0.587 7.999 1.00 0.00 O ATOM 0 H GLY A 32 1.261 -0.225 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.686 2.301 7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.964 1.272 8.239 1.00 0.00 H new ATOM 477 N SER A 33 4.771 0.914 6.640 1.00 0.00 N ATOM 478 CA SER A 33 6.105 0.274 6.686 1.00 0.00 C ATOM 479 C SER A 33 7.202 1.205 6.135 1.00 0.00 C ATOM 480 O SER A 33 8.349 0.792 5.940 1.00 0.00 O ATOM 481 CB SER A 33 6.101 -1.035 5.879 1.00 0.00 C ATOM 482 OG SER A 33 5.859 -0.787 4.501 1.00 0.00 O ATOM 0 H SER A 33 4.724 1.734 6.035 1.00 0.00 H new ATOM 0 HA SER A 33 6.325 0.062 7.732 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.059 -1.542 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.336 -1.705 6.271 1.00 0.00 H new ATOM 0 HG SER A 33 5.361 -1.538 4.116 1.00 0.00 H new ATOM 488 N LEU A 34 6.860 2.476 5.928 1.00 0.00 N ATOM 489 CA LEU A 34 7.745 3.417 5.230 1.00 0.00 C ATOM 490 C LEU A 34 8.801 4.021 6.175 1.00 0.00 C ATOM 491 O LEU A 34 8.629 5.134 6.671 1.00 0.00 O ATOM 492 CB LEU A 34 6.913 4.553 4.605 1.00 0.00 C ATOM 493 CG LEU A 34 5.556 4.145 4.002 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.838 5.361 3.424 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.723 3.062 2.942 1.00 0.00 C ATOM 0 H LEU A 34 5.975 2.882 6.233 1.00 0.00 H new ATOM 0 HA LEU A 34 8.266 2.860 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.735 5.309 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.508 5.024 3.823 1.00 0.00 H new ATOM 0 HG LEU A 34 4.945 3.732 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.881 5.052 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.668 6.092 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.452 5.808 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.747 2.796 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.361 3.433 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.181 2.181 3.391 1.00 0.00 H new ATOM 507 N HIS A 35 9.894 3.298 6.437 1.00 0.00 N ATOM 508 CA HIS A 35 10.931 3.825 7.337 1.00 0.00 C ATOM 509 C HIS A 35 11.870 4.824 6.628 1.00 0.00 C ATOM 510 O HIS A 35 13.020 4.526 6.328 1.00 0.00 O ATOM 511 CB HIS A 35 11.711 2.697 8.059 1.00 0.00 C ATOM 512 CG HIS A 35 12.460 1.704 7.202 1.00 0.00 C ATOM 513 ND1 HIS A 35 12.689 0.409 7.615 1.00 0.00 N ATOM 514 CD2 HIS A 35 13.084 1.817 6.002 1.00 0.00 C ATOM 515 CE1 HIS A 35 13.417 -0.221 6.719 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.673 0.605 5.728 1.00 0.00 N ATOM 0 H HIS A 35 10.084 2.372 6.053 1.00 0.00 H new ATOM 0 HA HIS A 35 10.410 4.387 8.112 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.427 3.164 8.735 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.004 2.142 8.676 1.00 0.00 H new ATOM 0 HD1 HIS A 35 12.346 0.001 8.484 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.113 2.697 5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.749 -1.246 6.786 1.00 0.00 H new ATOM 525 N PHE A 36 11.331 6.007 6.331 1.00 0.00 N ATOM 526 CA PHE A 36 12.113 7.140 5.796 1.00 0.00 C ATOM 527 C PHE A 36 12.787 6.864 4.431 1.00 0.00 C ATOM 528 O PHE A 36 13.587 7.678 3.974 1.00 0.00 O ATOM 529 CB PHE A 36 13.193 7.566 6.808 1.00 0.00 C ATOM 530 CG PHE A 36 12.651 8.026 8.138 1.00 0.00 C ATOM 531 CD1 PHE A 36 12.285 9.351 8.332 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.513 7.137 9.197 1.00 0.00 C ATOM 533 CE1 PHE A 36 11.792 9.777 9.549 1.00 0.00 C ATOM 534 CE2 PHE A 36 12.021 7.560 10.415 1.00 0.00 C ATOM 535 CZ PHE A 36 11.661 8.882 10.591 1.00 0.00 C ATOM 0 H PHE A 36 10.340 6.214 6.452 1.00 0.00 H new ATOM 0 HA PHE A 36 11.389 7.938 5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.869 6.727 6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.785 8.371 6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.387 10.057 7.521 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.794 6.103 9.065 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.509 10.810 9.685 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.918 6.858 11.230 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.277 9.215 11.544 1.00 0.00 H new ATOM 545 N ASN A 37 12.475 5.750 3.764 1.00 0.00 N ATOM 546 CA ASN A 37 13.142 5.443 2.481 1.00 0.00 C ATOM 547 C ASN A 37 12.207 4.776 1.449 1.00 0.00 C ATOM 548 O ASN A 37 12.575 4.617 0.286 1.00 0.00 O ATOM 549 CB ASN A 37 14.376 4.559 2.726 1.00 0.00 C ATOM 550 CG ASN A 37 15.357 4.608 1.569 1.00 0.00 C ATOM 551 OD1 ASN A 37 15.476 5.622 0.886 1.00 0.00 O ATOM 552 ND2 ASN A 37 16.074 3.526 1.337 1.00 0.00 N ATOM 0 H ASN A 37 11.789 5.061 4.072 1.00 0.00 H new ATOM 0 HA ASN A 37 13.446 6.398 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.877 4.883 3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.057 3.529 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.750 3.516 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.953 2.699 1.922 1.00 0.00 H new ATOM 559 N ILE A 38 11.001 4.391 1.860 1.00 0.00 N ATOM 560 CA ILE A 38 10.054 3.757 0.932 1.00 0.00 C ATOM 561 C ILE A 38 9.169 4.822 0.262 1.00 0.00 C ATOM 562 O ILE A 38 8.359 5.479 0.919 1.00 0.00 O ATOM 563 CB ILE A 38 9.156 2.689 1.623 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.995 1.539 2.224 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.140 2.128 0.628 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.830 1.931 3.428 1.00 0.00 C ATOM 0 H ILE A 38 10.655 4.502 2.813 1.00 0.00 H new ATOM 0 HA ILE A 38 10.651 3.242 0.180 1.00 0.00 H new ATOM 0 HB ILE A 38 8.629 3.182 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.325 0.729 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 38 10.656 1.147 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.519 1.382 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.510 2.936 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.666 1.665 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.385 1.063 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.529 2.718 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.177 2.294 4.221 1.00 0.00 H new ATOM 578 N THR A 39 9.338 4.986 -1.048 1.00 0.00 N ATOM 579 CA THR A 39 8.658 6.049 -1.801 1.00 0.00 C ATOM 580 C THR A 39 7.368 5.566 -2.476 1.00 0.00 C ATOM 581 O THR A 39 7.080 4.366 -2.527 1.00 0.00 O ATOM 582 CB THR A 39 9.583 6.634 -2.894 1.00 0.00 C ATOM 583 OG1 THR A 39 9.999 5.593 -3.795 1.00 0.00 O ATOM 584 CG2 THR A 39 10.806 7.305 -2.277 1.00 0.00 C ATOM 0 H THR A 39 9.943 4.394 -1.617 1.00 0.00 H new ATOM 0 HA THR A 39 8.404 6.813 -1.067 1.00 0.00 H new ATOM 0 HB THR A 39 9.022 7.388 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.583 5.972 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.438 7.707 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.485 8.115 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.370 6.573 -1.699 1.00 0.00 H new ATOM 592 N GLU A 40 6.606 6.529 -3.005 1.00 0.00 N ATOM 593 CA GLU A 40 5.362 6.257 -3.740 1.00 0.00 C ATOM 594 C GLU A 40 5.583 5.243 -4.876 1.00 0.00 C ATOM 595 O GLU A 40 4.792 4.317 -5.063 1.00 0.00 O ATOM 596 CB GLU A 40 4.818 7.569 -4.330 1.00 0.00 C ATOM 597 CG GLU A 40 4.539 8.652 -3.292 1.00 0.00 C ATOM 598 CD GLU A 40 4.334 10.024 -3.916 1.00 0.00 C ATOM 599 OE1 GLU A 40 3.231 10.292 -4.441 1.00 0.00 O ATOM 600 OE2 GLU A 40 5.290 10.834 -3.908 1.00 0.00 O ATOM 0 H GLU A 40 6.833 7.521 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 40 4.645 5.830 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.535 7.953 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.897 7.356 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.652 8.381 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.370 8.698 -2.588 1.00 0.00 H new ATOM 607 N ASP A 41 6.671 5.430 -5.620 1.00 0.00 N ATOM 608 CA ASP A 41 6.989 4.583 -6.775 1.00 0.00 C ATOM 609 C ASP A 41 7.256 3.125 -6.368 1.00 0.00 C ATOM 610 O ASP A 41 6.839 2.194 -7.058 1.00 0.00 O ATOM 611 CB ASP A 41 8.201 5.153 -7.509 1.00 0.00 C ATOM 612 CG ASP A 41 7.962 6.580 -7.960 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.183 7.506 -7.154 1.00 0.00 O ATOM 614 OD2 ASP A 41 7.525 6.780 -9.112 1.00 0.00 O ATOM 0 H ASP A 41 7.355 6.166 -5.444 1.00 0.00 H new ATOM 0 HA ASP A 41 6.122 4.581 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.072 5.119 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.428 4.531 -8.375 1.00 0.00 H new ATOM 619 N MET A 42 7.947 2.930 -5.242 1.00 0.00 N ATOM 620 CA MET A 42 8.238 1.577 -4.744 1.00 0.00 C ATOM 621 C MET A 42 6.937 0.835 -4.415 1.00 0.00 C ATOM 622 O MET A 42 6.692 -0.275 -4.896 1.00 0.00 O ATOM 623 CB MET A 42 9.129 1.645 -3.498 1.00 0.00 C ATOM 624 CG MET A 42 10.502 2.249 -3.756 1.00 0.00 C ATOM 625 SD MET A 42 11.459 1.310 -4.966 1.00 0.00 S ATOM 626 CE MET A 42 13.010 2.211 -4.951 1.00 0.00 C ATOM 0 H MET A 42 8.314 3.683 -4.660 1.00 0.00 H new ATOM 0 HA MET A 42 8.766 1.031 -5.526 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.622 2.232 -2.732 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.254 0.639 -3.097 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.383 3.274 -4.108 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.056 2.296 -2.818 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.706 1.749 -5.651 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.833 3.245 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.435 2.187 -3.948 1.00 0.00 H new ATOM 636 N LEU A 43 6.102 1.471 -3.598 1.00 0.00 N ATOM 637 CA LEU A 43 4.788 0.930 -3.246 1.00 0.00 C ATOM 638 C LEU A 43 3.969 0.619 -4.504 1.00 0.00 C ATOM 639 O LEU A 43 3.525 -0.510 -4.708 1.00 0.00 O ATOM 640 CB LEU A 43 4.036 1.940 -2.372 1.00 0.00 C ATOM 641 CG LEU A 43 4.713 2.279 -1.037 1.00 0.00 C ATOM 642 CD1 LEU A 43 4.080 3.517 -0.411 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.639 1.088 -0.082 1.00 0.00 C ATOM 0 H LEU A 43 6.313 2.369 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 43 4.931 0.001 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.906 2.861 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.040 1.548 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 43 5.763 2.498 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.575 3.740 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.192 4.364 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.021 3.333 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.124 1.346 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.595 0.836 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.145 0.232 -0.528 1.00 0.00 H new ATOM 655 N ARG A 44 3.802 1.624 -5.359 1.00 0.00 N ATOM 656 CA ARG A 44 3.029 1.472 -6.591 1.00 0.00 C ATOM 657 C ARG A 44 3.554 0.308 -7.449 1.00 0.00 C ATOM 658 O ARG A 44 2.775 -0.497 -7.959 1.00 0.00 O ATOM 659 CB ARG A 44 3.051 2.777 -7.397 1.00 0.00 C ATOM 660 CG ARG A 44 2.168 2.727 -8.631 1.00 0.00 C ATOM 661 CD ARG A 44 2.081 4.065 -9.357 1.00 0.00 C ATOM 662 NE ARG A 44 1.235 3.951 -10.541 1.00 0.00 N ATOM 663 CZ ARG A 44 0.137 4.626 -10.742 1.00 0.00 C ATOM 664 NH1 ARG A 44 -0.213 5.585 -9.943 1.00 0.00 N ATOM 665 NH2 ARG A 44 -0.595 4.356 -11.770 1.00 0.00 N ATOM 0 H ARG A 44 4.193 2.556 -5.222 1.00 0.00 H new ATOM 0 HA ARG A 44 2.001 1.242 -6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.726 3.598 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.076 2.994 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.554 1.973 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.166 2.412 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.677 4.824 -8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.079 4.394 -9.646 1.00 0.00 H new ATOM 0 HE ARG A 44 1.524 3.294 -11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.373 5.822 -9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.075 6.103 -10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.313 3.620 -12.417 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.455 4.879 -11.935 1.00 0.00 H new ATOM 679 N GLY A 45 4.875 0.216 -7.583 1.00 0.00 N ATOM 680 CA GLY A 45 5.489 -0.856 -8.363 1.00 0.00 C ATOM 681 C GLY A 45 5.165 -2.254 -7.838 1.00 0.00 C ATOM 682 O GLY A 45 5.134 -3.220 -8.600 1.00 0.00 O ATOM 0 H GLY A 45 5.538 0.868 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.155 -0.779 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.570 -0.719 -8.366 1.00 0.00 H new ATOM 686 N ILE A 46 4.945 -2.368 -6.530 1.00 0.00 N ATOM 687 CA ILE A 46 4.566 -3.648 -5.915 1.00 0.00 C ATOM 688 C ILE A 46 3.050 -3.917 -6.022 1.00 0.00 C ATOM 689 O ILE A 46 2.619 -5.063 -6.181 1.00 0.00 O ATOM 690 CB ILE A 46 4.986 -3.690 -4.421 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.503 -3.468 -4.288 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.576 -5.013 -3.773 1.00 0.00 C ATOM 693 CD1 ILE A 46 7.002 -3.448 -2.857 1.00 0.00 C ATOM 0 H ILE A 46 5.021 -1.593 -5.872 1.00 0.00 H new ATOM 0 HA ILE A 46 5.094 -4.426 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 46 4.468 -2.886 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.024 -4.256 -4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.765 -2.524 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.882 -5.016 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.494 -5.128 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.059 -5.839 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.080 -3.287 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.511 -2.642 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.774 -4.401 -2.379 1.00 0.00 H new ATOM 705 N PHE A 47 2.248 -2.856 -5.945 1.00 0.00 N ATOM 706 CA PHE A 47 0.780 -2.982 -5.924 1.00 0.00 C ATOM 707 C PHE A 47 0.149 -3.069 -7.335 1.00 0.00 C ATOM 708 O PHE A 47 -0.874 -3.733 -7.518 1.00 0.00 O ATOM 709 CB PHE A 47 0.163 -1.812 -5.138 1.00 0.00 C ATOM 710 CG PHE A 47 0.370 -1.889 -3.636 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.645 -1.926 -3.090 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.717 -1.909 -2.770 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.833 -1.983 -1.722 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.536 -1.969 -1.400 1.00 0.00 C ATOM 715 CZ PHE A 47 0.741 -2.004 -0.876 1.00 0.00 C ATOM 0 H PHE A 47 2.585 -1.895 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 47 0.556 -3.926 -5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.590 -0.878 -5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.907 -1.776 -5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.504 -1.910 -3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.718 -1.877 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.833 -2.011 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.392 -1.988 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.886 -2.048 0.193 1.00 0.00 H new ATOM 725 N GLU A 48 0.747 -2.410 -8.333 1.00 0.00 N ATOM 726 CA GLU A 48 0.180 -2.412 -9.699 1.00 0.00 C ATOM 727 C GLU A 48 0.110 -3.819 -10.342 1.00 0.00 C ATOM 728 O GLU A 48 -0.819 -4.091 -11.102 1.00 0.00 O ATOM 729 CB GLU A 48 0.921 -1.438 -10.629 1.00 0.00 C ATOM 730 CG GLU A 48 0.650 0.029 -10.311 1.00 0.00 C ATOM 731 CD GLU A 48 1.089 0.979 -11.416 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.304 1.111 -11.653 1.00 0.00 O ATOM 733 OE2 GLU A 48 0.213 1.607 -12.050 1.00 0.00 O ATOM 0 H GLU A 48 1.609 -1.875 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.848 -2.069 -9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.993 -1.625 -10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.629 -1.638 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.417 0.163 -10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.166 0.294 -9.388 1.00 0.00 H new ATOM 740 N PRO A 49 1.083 -4.731 -10.096 1.00 0.00 N ATOM 741 CA PRO A 49 0.962 -6.144 -10.513 1.00 0.00 C ATOM 742 C PRO A 49 -0.418 -6.756 -10.188 1.00 0.00 C ATOM 743 O PRO A 49 -0.866 -7.694 -10.853 1.00 0.00 O ATOM 744 CB PRO A 49 2.066 -6.830 -9.706 1.00 0.00 C ATOM 745 CG PRO A 49 3.123 -5.786 -9.580 1.00 0.00 C ATOM 746 CD PRO A 49 2.395 -4.467 -9.467 1.00 0.00 C ATOM 0 HA PRO A 49 1.057 -6.262 -11.592 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.705 -7.152 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.440 -7.718 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.745 -5.965 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.784 -5.794 -10.447 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.285 -4.159 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.931 -3.669 -9.981 1.00 0.00 H new ATOM 754 N PHE A 50 -1.081 -6.219 -9.159 1.00 0.00 N ATOM 755 CA PHE A 50 -2.455 -6.619 -8.819 1.00 0.00 C ATOM 756 C PHE A 50 -3.476 -5.917 -9.731 1.00 0.00 C ATOM 757 O PHE A 50 -4.385 -6.551 -10.270 1.00 0.00 O ATOM 758 CB PHE A 50 -2.764 -6.289 -7.351 1.00 0.00 C ATOM 759 CG PHE A 50 -1.934 -7.068 -6.359 1.00 0.00 C ATOM 760 CD1 PHE A 50 -0.672 -6.628 -5.983 1.00 0.00 C ATOM 761 CD2 PHE A 50 -2.421 -8.241 -5.798 1.00 0.00 C ATOM 762 CE1 PHE A 50 0.084 -7.340 -5.072 1.00 0.00 C ATOM 763 CE2 PHE A 50 -1.669 -8.955 -4.885 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.416 -8.504 -4.521 1.00 0.00 C ATOM 0 H PHE A 50 -0.690 -5.505 -8.545 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.534 -7.696 -8.969 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.603 -5.224 -7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.819 -6.485 -7.160 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.276 -5.717 -6.408 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.400 -8.600 -6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.065 -6.987 -4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.061 -9.865 -4.456 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.173 -9.060 -3.806 1.00 0.00 H new ATOM 774 N GLY A 51 -3.324 -4.604 -9.890 1.00 0.00 N ATOM 775 CA GLY A 51 -4.228 -3.834 -10.744 1.00 0.00 C ATOM 776 C GLY A 51 -3.656 -2.481 -11.160 1.00 0.00 C ATOM 777 O GLY A 51 -2.825 -2.401 -12.069 1.00 0.00 O ATOM 0 H GLY A 51 -2.590 -4.054 -9.443 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.456 -4.415 -11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.169 -3.677 -10.217 1.00 0.00 H new ATOM 781 N ARG A 52 -4.103 -1.414 -10.502 1.00 0.00 N ATOM 782 CA ARG A 52 -3.640 -0.057 -10.819 1.00 0.00 C ATOM 783 C ARG A 52 -4.003 0.925 -9.696 1.00 0.00 C ATOM 784 O ARG A 52 -5.042 0.784 -9.049 1.00 0.00 O ATOM 785 CB ARG A 52 -4.255 0.411 -12.148 1.00 0.00 C ATOM 786 CG ARG A 52 -3.769 1.780 -12.624 1.00 0.00 C ATOM 787 CD ARG A 52 -4.437 2.180 -13.935 1.00 0.00 C ATOM 788 NE ARG A 52 -4.003 3.492 -14.415 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.818 4.415 -14.853 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.103 4.242 -14.804 1.00 0.00 N ATOM 791 NH2 ARG A 52 -4.343 5.516 -15.330 1.00 0.00 N ATOM 0 H ARG A 52 -4.785 -1.458 -9.745 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.554 -0.080 -10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.031 -0.328 -12.918 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.339 0.441 -12.041 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.982 2.529 -11.861 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.687 1.758 -12.756 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.216 1.429 -14.694 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.518 2.187 -13.799 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.004 3.699 -14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.487 3.378 -14.421 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.729 4.970 -15.149 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.334 5.664 -15.364 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.976 6.238 -15.673 1.00 0.00 H new ATOM 805 N ILE A 53 -3.142 1.916 -9.466 1.00 0.00 N ATOM 806 CA ILE A 53 -3.371 2.918 -8.414 1.00 0.00 C ATOM 807 C ILE A 53 -3.725 4.293 -9.010 1.00 0.00 C ATOM 808 O ILE A 53 -3.026 4.799 -9.890 1.00 0.00 O ATOM 809 CB ILE A 53 -2.135 3.083 -7.480 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.843 1.792 -6.685 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.339 4.257 -6.523 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.236 0.674 -7.505 1.00 0.00 C ATOM 0 H ILE A 53 -2.278 2.050 -9.992 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.211 2.547 -7.827 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.272 3.286 -8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.168 2.031 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.772 1.436 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.466 4.357 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.474 5.174 -7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.223 4.078 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.064 -0.193 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.918 0.402 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.288 1.006 -7.928 1.00 0.00 H new ATOM 824 N GLU A 54 -4.799 4.899 -8.507 1.00 0.00 N ATOM 825 CA GLU A 54 -5.232 6.222 -8.970 1.00 0.00 C ATOM 826 C GLU A 54 -4.400 7.342 -8.329 1.00 0.00 C ATOM 827 O GLU A 54 -3.908 8.239 -9.019 1.00 0.00 O ATOM 828 CB GLU A 54 -6.723 6.430 -8.663 1.00 0.00 C ATOM 829 CG GLU A 54 -7.655 5.519 -9.463 1.00 0.00 C ATOM 830 CD GLU A 54 -7.635 5.820 -10.958 1.00 0.00 C ATOM 831 OE1 GLU A 54 -6.737 5.318 -11.664 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.520 6.561 -11.433 1.00 0.00 O ATOM 0 H GLU A 54 -5.388 4.497 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.078 6.265 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.892 6.261 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.984 7.469 -8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.366 4.480 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.673 5.629 -9.088 1.00 0.00 H new ATOM 839 N SER A 55 -4.256 7.294 -7.007 1.00 0.00 N ATOM 840 CA SER A 55 -3.461 8.291 -6.277 1.00 0.00 C ATOM 841 C SER A 55 -2.848 7.699 -5.000 1.00 0.00 C ATOM 842 O SER A 55 -3.455 6.858 -4.333 1.00 0.00 O ATOM 843 CB SER A 55 -4.320 9.514 -5.919 1.00 0.00 C ATOM 844 OG SER A 55 -5.393 9.162 -5.057 1.00 0.00 O ATOM 0 H SER A 55 -4.677 6.578 -6.415 1.00 0.00 H new ATOM 0 HA SER A 55 -2.649 8.602 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.698 10.269 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.716 9.961 -6.831 1.00 0.00 H new ATOM 0 HG SER A 55 -5.919 9.961 -4.847 1.00 0.00 H new ATOM 850 N ILE A 56 -1.635 8.138 -4.674 1.00 0.00 N ATOM 851 CA ILE A 56 -0.946 7.703 -3.453 1.00 0.00 C ATOM 852 C ILE A 56 -0.733 8.885 -2.493 1.00 0.00 C ATOM 853 O ILE A 56 -0.008 9.834 -2.811 1.00 0.00 O ATOM 854 CB ILE A 56 0.427 7.059 -3.780 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.243 5.879 -4.748 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.136 6.606 -2.501 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.537 5.208 -5.161 1.00 0.00 C ATOM 0 H ILE A 56 -1.103 8.799 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.581 6.958 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 56 1.054 7.809 -4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.405 5.137 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.271 6.233 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.096 6.158 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.298 7.466 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.519 5.871 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.319 4.387 -5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.180 5.933 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.044 4.821 -4.277 1.00 0.00 H new ATOM 869 N GLN A 57 -1.369 8.825 -1.327 1.00 0.00 N ATOM 870 CA GLN A 57 -1.248 9.883 -0.314 1.00 0.00 C ATOM 871 C GLN A 57 -0.456 9.392 0.905 1.00 0.00 C ATOM 872 O GLN A 57 -0.967 8.632 1.722 1.00 0.00 O ATOM 873 CB GLN A 57 -2.643 10.351 0.127 1.00 0.00 C ATOM 874 CG GLN A 57 -3.505 10.863 -1.022 1.00 0.00 C ATOM 875 CD GLN A 57 -2.934 12.109 -1.685 1.00 0.00 C ATOM 876 OE1 GLN A 57 -2.297 12.939 -1.041 1.00 0.00 O ATOM 877 NE2 GLN A 57 -3.144 12.246 -2.979 1.00 0.00 N ATOM 0 H GLN A 57 -1.978 8.053 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.709 10.719 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.157 9.524 0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.534 11.142 0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.609 10.076 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.505 11.083 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.677 11.540 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.774 13.058 -3.473 1.00 0.00 H new ATOM 886 N LEU A 58 0.786 9.841 1.034 1.00 0.00 N ATOM 887 CA LEU A 58 1.656 9.398 2.130 1.00 0.00 C ATOM 888 C LEU A 58 1.661 10.415 3.275 1.00 0.00 C ATOM 889 O LEU A 58 1.562 11.621 3.050 1.00 0.00 O ATOM 890 CB LEU A 58 3.093 9.192 1.625 1.00 0.00 C ATOM 891 CG LEU A 58 3.259 8.169 0.490 1.00 0.00 C ATOM 892 CD1 LEU A 58 4.735 7.993 0.136 1.00 0.00 C ATOM 893 CD2 LEU A 58 2.627 6.831 0.869 1.00 0.00 C ATOM 0 H LEU A 58 1.218 10.511 0.397 1.00 0.00 H new ATOM 0 HA LEU A 58 1.263 8.452 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.480 10.152 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.713 8.879 2.465 1.00 0.00 H new ATOM 0 HG LEU A 58 2.741 8.549 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.832 7.265 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.148 8.949 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.280 7.640 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.757 6.123 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.109 6.442 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.563 6.972 1.061 1.00 0.00 H new ATOM 905 N MET A 59 1.790 9.923 4.504 1.00 0.00 N ATOM 906 CA MET A 59 1.836 10.794 5.679 1.00 0.00 C ATOM 907 C MET A 59 3.292 11.111 6.041 1.00 0.00 C ATOM 908 O MET A 59 4.041 10.236 6.489 1.00 0.00 O ATOM 909 CB MET A 59 1.122 10.134 6.868 1.00 0.00 C ATOM 910 CG MET A 59 -0.256 9.574 6.527 1.00 0.00 C ATOM 911 SD MET A 59 -1.365 10.799 5.798 1.00 0.00 S ATOM 912 CE MET A 59 -1.400 12.049 7.081 1.00 0.00 C ATOM 0 H MET A 59 1.865 8.928 4.714 1.00 0.00 H new ATOM 0 HA MET A 59 1.320 11.725 5.443 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.746 9.327 7.252 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.018 10.866 7.669 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.140 8.741 5.834 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.712 9.174 7.433 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.222 12.740 6.894 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.541 11.571 8.051 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.458 12.597 7.080 1.00 0.00 H new ATOM 1033 N LYS A 68 6.599 9.713 7.848 1.00 0.00 N ATOM 1034 CA LYS A 68 6.219 9.274 9.202 1.00 0.00 C ATOM 1035 C LYS A 68 6.203 7.742 9.326 1.00 0.00 C ATOM 1036 O LYS A 68 6.468 7.195 10.397 1.00 0.00 O ATOM 1037 CB LYS A 68 4.847 9.843 9.599 1.00 0.00 C ATOM 1038 CG LYS A 68 4.756 11.364 9.495 1.00 0.00 C ATOM 1039 CD LYS A 68 3.462 11.907 10.099 1.00 0.00 C ATOM 1040 CE LYS A 68 3.446 11.781 11.619 1.00 0.00 C ATOM 1041 NZ LYS A 68 4.477 12.638 12.265 1.00 0.00 N ATOM 0 HA LYS A 68 6.977 9.660 9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.082 9.398 8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.623 9.544 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.609 11.813 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.818 11.659 8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.343 12.954 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.612 11.367 9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.460 12.056 11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.614 10.741 11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.272 12.721 13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.416 12.209 12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.465 13.583 11.831 1.00 0.00 H new ATOM 1055 N GLY A 69 5.876 7.050 8.235 1.00 0.00 N ATOM 1056 CA GLY A 69 5.893 5.588 8.248 1.00 0.00 C ATOM 1057 C GLY A 69 4.664 4.944 7.611 1.00 0.00 C ATOM 1058 O GLY A 69 4.680 3.754 7.295 1.00 0.00 O ATOM 0 H GLY A 69 5.601 7.469 7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.784 5.241 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.976 5.246 9.280 1.00 0.00 H new ATOM 1062 N TYR A 70 3.600 5.720 7.410 1.00 0.00 N ATOM 1063 CA TYR A 70 2.344 5.180 6.868 1.00 0.00 C ATOM 1064 C TYR A 70 1.716 6.103 5.809 1.00 0.00 C ATOM 1065 O TYR A 70 1.904 7.319 5.838 1.00 0.00 O ATOM 1066 CB TYR A 70 1.351 4.916 8.014 1.00 0.00 C ATOM 1067 CG TYR A 70 1.383 5.961 9.117 1.00 0.00 C ATOM 1068 CD1 TYR A 70 0.642 7.135 9.026 1.00 0.00 C ATOM 1069 CD2 TYR A 70 2.166 5.770 10.253 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.677 8.081 10.033 1.00 0.00 C ATOM 1071 CE2 TYR A 70 2.204 6.711 11.260 1.00 0.00 C ATOM 1072 CZ TYR A 70 1.461 7.864 11.146 1.00 0.00 C ATOM 1073 OH TYR A 70 1.503 8.802 12.150 1.00 0.00 O ATOM 0 H TYR A 70 3.577 6.720 7.611 1.00 0.00 H new ATOM 0 HA TYR A 70 2.579 4.241 6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.343 4.868 7.603 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.565 3.939 8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.029 7.310 8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.754 4.869 10.347 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.093 8.986 9.948 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.815 6.544 12.135 1.00 0.00 H new ATOM 0 HH TYR A 70 2.102 8.493 12.861 1.00 0.00 H new ATOM 1083 N GLY A 71 0.988 5.505 4.864 1.00 0.00 N ATOM 1084 CA GLY A 71 0.303 6.265 3.821 1.00 0.00 C ATOM 1085 C GLY A 71 -0.959 5.569 3.304 1.00 0.00 C ATOM 1086 O GLY A 71 -1.106 4.354 3.442 1.00 0.00 O ATOM 0 H GLY A 71 0.859 4.495 4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.036 7.247 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.988 6.428 2.989 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.866 6.339 2.706 1.00 0.00 N ATOM 1091 CA PHE A 72 -3.103 5.800 2.128 1.00 0.00 C ATOM 1092 C PHE A 72 -3.003 5.687 0.595 1.00 0.00 C ATOM 1093 O PHE A 72 -2.711 6.664 -0.096 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.289 6.698 2.501 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.550 6.783 3.984 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.889 7.718 4.770 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -5.460 5.928 4.593 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -4.132 7.800 6.129 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.706 6.008 5.951 1.00 0.00 C ATOM 1100 CZ PHE A 72 -5.041 6.943 6.719 1.00 0.00 C ATOM 0 H PHE A 72 -1.768 7.349 2.607 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.256 4.800 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.107 7.701 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.185 6.324 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.176 8.389 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.981 5.192 3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.612 8.533 6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.418 5.339 6.411 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.231 7.004 7.780 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.252 4.490 0.070 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.207 4.243 -1.378 1.00 0.00 C ATOM 1112 C ILE A 73 -4.612 3.955 -1.939 1.00 0.00 C ATOM 1113 O ILE A 73 -5.299 3.035 -1.495 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.259 3.060 -1.705 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.834 3.373 -1.216 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.262 2.759 -3.203 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.157 2.243 -1.425 1.00 0.00 C ATOM 0 H ILE A 73 -3.489 3.668 0.626 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.824 5.147 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.620 2.173 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.471 4.260 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.871 3.617 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.590 1.926 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.272 2.497 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.927 3.639 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.136 2.545 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.180 1.359 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.227 2.013 -2.488 1.00 0.00 H new ATOM 1129 N THR A 74 -5.032 4.746 -2.922 1.00 0.00 N ATOM 1130 CA THR A 74 -6.391 4.635 -3.481 1.00 0.00 C ATOM 1131 C THR A 74 -6.430 3.841 -4.798 1.00 0.00 C ATOM 1132 O THR A 74 -5.813 4.227 -5.796 1.00 0.00 O ATOM 1133 CB THR A 74 -7.021 6.032 -3.719 1.00 0.00 C ATOM 1134 OG1 THR A 74 -7.177 6.725 -2.469 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.384 5.922 -4.408 1.00 0.00 C ATOM 0 H THR A 74 -4.458 5.471 -3.352 1.00 0.00 H new ATOM 0 HA THR A 74 -6.971 4.091 -2.736 1.00 0.00 H new ATOM 0 HB THR A 74 -6.348 6.590 -4.370 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.574 7.606 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.797 6.919 -4.559 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.265 5.428 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.062 5.340 -3.783 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.174 2.735 -4.788 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.405 1.917 -5.988 1.00 0.00 C ATOM 1145 C PHE A 75 -8.787 2.198 -6.602 1.00 0.00 C ATOM 1146 O PHE A 75 -9.738 2.535 -5.892 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.322 0.424 -5.647 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.938 -0.072 -5.323 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.348 0.210 -4.098 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.232 -0.835 -6.241 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.085 -0.260 -3.800 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.969 -1.304 -5.947 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.396 -1.016 -4.726 1.00 0.00 C ATOM 0 H PHE A 75 -7.635 2.378 -3.951 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.631 2.181 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.973 0.223 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.711 -0.149 -6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.883 0.803 -3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.677 -1.065 -7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.637 -0.036 -2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.429 -1.896 -6.672 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.407 -1.383 -4.494 1.00 0.00 H new ATOM 1163 N SER A 76 -8.895 2.032 -7.918 1.00 0.00 N ATOM 1164 CA SER A 76 -10.181 2.170 -8.620 1.00 0.00 C ATOM 1165 C SER A 76 -11.045 0.911 -8.437 1.00 0.00 C ATOM 1166 O SER A 76 -12.277 0.981 -8.432 1.00 0.00 O ATOM 1167 CB SER A 76 -9.950 2.425 -10.120 1.00 0.00 C ATOM 1168 OG SER A 76 -11.178 2.527 -10.832 1.00 0.00 O ATOM 0 H SER A 76 -8.109 1.801 -8.526 1.00 0.00 H new ATOM 0 HA SER A 76 -10.708 3.021 -8.188 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.377 3.343 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.353 1.615 -10.539 1.00 0.00 H new ATOM 0 HG SER A 76 -10.994 2.690 -11.781 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.392 -0.243 -8.282 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.094 -1.522 -8.115 1.00 0.00 C ATOM 1176 C ASP A 77 -11.001 -2.031 -6.660 1.00 0.00 C ATOM 1177 O ASP A 77 -9.910 -2.312 -6.157 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.506 -2.560 -9.079 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.371 -3.801 -9.192 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -12.293 -3.807 -10.032 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.147 -4.768 -8.439 1.00 0.00 O ATOM 0 H ASP A 77 -9.375 -0.320 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.148 -1.367 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.390 -2.111 -10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.510 -2.844 -8.739 1.00 0.00 H new ATOM 1186 N SER A 78 -12.155 -2.146 -5.996 1.00 0.00 N ATOM 1187 CA SER A 78 -12.221 -2.612 -4.598 1.00 0.00 C ATOM 1188 C SER A 78 -11.640 -4.020 -4.426 1.00 0.00 C ATOM 1189 O SER A 78 -10.780 -4.244 -3.577 1.00 0.00 O ATOM 1190 CB SER A 78 -13.671 -2.607 -4.101 1.00 0.00 C ATOM 1191 OG SER A 78 -14.474 -3.498 -4.863 1.00 0.00 O ATOM 0 H SER A 78 -13.063 -1.923 -6.402 1.00 0.00 H new ATOM 0 HA SER A 78 -11.619 -1.921 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.700 -2.894 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.078 -1.598 -4.167 1.00 0.00 H new ATOM 0 HG SER A 78 -15.394 -3.479 -4.526 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.126 -4.966 -5.227 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.675 -6.365 -5.154 1.00 0.00 C ATOM 1199 C GLU A 79 -10.148 -6.473 -5.303 1.00 0.00 C ATOM 1200 O GLU A 79 -9.490 -7.204 -4.558 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.378 -7.197 -6.240 1.00 0.00 C ATOM 1202 CG GLU A 79 -12.098 -8.701 -6.176 1.00 0.00 C ATOM 1203 CD GLU A 79 -12.680 -9.370 -4.939 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -13.821 -9.037 -4.553 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -12.011 -10.247 -4.355 1.00 0.00 O ATOM 0 H GLU A 79 -12.836 -4.794 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.939 -6.756 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.453 -7.038 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.072 -6.826 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.509 -9.178 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.020 -8.864 -6.196 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.596 -5.729 -6.260 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.146 -5.702 -6.489 1.00 0.00 C ATOM 1214 C CYS A 80 -7.400 -5.144 -5.268 1.00 0.00 C ATOM 1215 O CYS A 80 -6.391 -5.704 -4.835 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.813 -4.858 -7.723 1.00 0.00 C ATOM 1217 SG CYS A 80 -6.049 -4.763 -8.094 1.00 0.00 S ATOM 0 H CYS A 80 -10.130 -5.134 -6.893 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.820 -6.729 -6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.333 -5.274 -8.586 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.197 -3.849 -7.575 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.664 -3.522 -8.057 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.912 -4.043 -4.712 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.340 -3.442 -3.499 1.00 0.00 C ATOM 1225 C ALA A 81 -7.391 -4.421 -2.316 1.00 0.00 C ATOM 1226 O ALA A 81 -6.423 -4.571 -1.568 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.080 -2.156 -3.150 1.00 0.00 C ATOM 0 H ALA A 81 -8.723 -3.547 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.294 -3.209 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.647 -1.720 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.990 -1.449 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.133 -2.378 -2.976 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.530 -5.090 -2.163 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.717 -6.096 -1.115 1.00 0.00 C ATOM 1235 C LYS A 82 -7.730 -7.260 -1.292 1.00 0.00 C ATOM 1236 O LYS A 82 -7.193 -7.790 -0.318 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.162 -6.609 -1.154 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.506 -7.618 -0.063 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.937 -8.126 -0.213 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.143 -8.815 -1.558 1.00 0.00 C ATOM 1241 NZ LYS A 82 -13.567 -9.148 -1.812 1.00 0.00 N ATOM 0 H LYS A 82 -9.348 -4.953 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.522 -5.637 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.838 -5.758 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.345 -7.067 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.813 -8.458 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.382 -7.155 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.164 -8.823 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.633 -7.292 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.777 -8.167 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.548 -9.728 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.826 -8.852 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.706 -10.174 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.168 -8.651 -1.124 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.491 -7.642 -2.545 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.517 -8.690 -2.869 1.00 0.00 C ATOM 1257 C LYS A 83 -5.089 -8.253 -2.503 1.00 0.00 C ATOM 1258 O LYS A 83 -4.336 -9.009 -1.887 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.594 -9.046 -4.360 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.611 -10.132 -4.791 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.734 -10.454 -6.279 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.116 -10.998 -6.633 1.00 0.00 C ATOM 1263 NZ LYS A 83 -7.433 -12.245 -5.886 1.00 0.00 N ATOM 0 H LYS A 83 -7.959 -7.241 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.764 -9.573 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.607 -9.374 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.407 -8.147 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.593 -9.808 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.790 -11.036 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.538 -9.554 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.974 -11.185 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.870 -10.242 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.165 -11.195 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.279 -12.690 -6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.630 -12.902 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.613 -12.015 -4.888 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.725 -7.028 -2.888 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.421 -6.460 -2.533 1.00 0.00 C ATOM 1279 C ALA A 84 -3.228 -6.459 -1.011 1.00 0.00 C ATOM 1280 O ALA A 84 -2.199 -6.899 -0.503 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.283 -5.047 -3.098 1.00 0.00 C ATOM 0 H ALA A 84 -5.314 -6.410 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.642 -7.082 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.309 -4.640 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.372 -5.079 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.069 -4.413 -2.688 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.238 -5.981 -0.290 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.247 -6.029 1.176 1.00 0.00 C ATOM 1289 C LEU A 85 -4.052 -7.471 1.673 1.00 0.00 C ATOM 1290 O LEU A 85 -3.182 -7.751 2.500 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.583 -5.441 1.691 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.778 -5.364 3.227 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.854 -4.337 3.574 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.160 -6.727 3.817 1.00 0.00 C ATOM 0 H LEU A 85 -5.069 -5.552 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.420 -5.434 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.687 -4.434 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.396 -6.037 1.277 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.827 -5.058 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.980 -4.294 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.554 -3.357 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.797 -4.627 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.288 -6.634 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.093 -7.069 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.371 -7.449 3.607 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.857 -8.376 1.131 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.911 -9.769 1.585 1.00 0.00 C ATOM 1308 C GLU A 86 -3.570 -10.515 1.399 1.00 0.00 C ATOM 1309 O GLU A 86 -3.225 -11.398 2.192 1.00 0.00 O ATOM 1310 CB GLU A 86 -6.042 -10.481 0.831 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.369 -11.876 1.342 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.573 -12.476 0.629 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.415 -12.958 -0.515 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -8.683 -12.456 1.205 1.00 0.00 O ATOM 0 H GLU A 86 -5.494 -8.169 0.362 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.106 -9.773 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.941 -9.868 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.771 -10.549 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.504 -12.525 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.566 -11.833 2.413 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.812 -10.158 0.360 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.523 -10.812 0.077 1.00 0.00 C ATOM 1323 C GLN A 87 -0.325 -10.051 0.677 1.00 0.00 C ATOM 1324 O GLN A 87 0.636 -10.667 1.143 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.322 -10.970 -1.439 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.280 -11.965 -2.089 1.00 0.00 C ATOM 1327 CD GLN A 87 -2.023 -12.154 -3.578 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -0.901 -12.008 -4.052 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -3.055 -12.495 -4.325 1.00 0.00 N ATOM 0 H GLN A 87 -3.063 -9.422 -0.300 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.562 -11.792 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.445 -9.997 -1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.297 -11.290 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.191 -12.928 -1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.304 -11.622 -1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.976 -12.609 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.932 -12.645 -5.326 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.385 -8.720 0.668 1.00 0.00 N ATOM 1339 CA LEU A 88 0.760 -7.887 1.068 1.00 0.00 C ATOM 1340 C LEU A 88 0.796 -7.600 2.576 1.00 0.00 C ATOM 1341 O LEU A 88 1.845 -7.245 3.114 1.00 0.00 O ATOM 1342 CB LEU A 88 0.748 -6.576 0.275 1.00 0.00 C ATOM 1343 CG LEU A 88 0.833 -6.752 -1.253 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.745 -5.408 -1.962 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.112 -7.491 -1.646 1.00 0.00 C ATOM 0 H LEU A 88 -1.211 -8.191 0.389 1.00 0.00 H new ATOM 0 HA LEU A 88 1.664 -8.452 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.164 -6.030 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.585 -5.960 0.604 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.018 -7.356 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.807 -5.560 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.203 -4.929 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.568 -4.771 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.149 -7.603 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.979 -6.922 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.121 -8.476 -1.179 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.336 -7.743 3.264 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.357 -7.550 4.719 1.00 0.00 C ATOM 1359 C ASN A 89 0.512 -8.613 5.414 1.00 0.00 C ATOM 1360 O ASN A 89 0.136 -9.782 5.510 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.794 -7.576 5.270 1.00 0.00 C ATOM 1362 CG ASN A 89 -1.869 -7.179 6.741 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -0.966 -7.450 7.525 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.937 -6.511 7.125 1.00 0.00 N ATOM 0 H ASN A 89 -1.236 -7.987 2.850 1.00 0.00 H new ATOM 0 HA ASN A 89 0.059 -6.565 4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.416 -6.900 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.208 -8.577 5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.027 -6.206 8.094 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.674 -6.298 6.453 1.00 0.00 H new ATOM 1371 N GLY A 90 1.680 -8.191 5.884 1.00 0.00 N ATOM 1372 CA GLY A 90 2.627 -9.107 6.517 1.00 0.00 C ATOM 1373 C GLY A 90 3.905 -9.306 5.702 1.00 0.00 C ATOM 1374 O GLY A 90 4.869 -9.906 6.181 1.00 0.00 O ATOM 0 H GLY A 90 1.996 -7.222 5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.888 -8.725 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.144 -10.073 6.667 1.00 0.00 H new ATOM 1378 N PHE A 91 3.912 -8.792 4.474 1.00 0.00 N ATOM 1379 CA PHE A 91 5.070 -8.903 3.574 1.00 0.00 C ATOM 1380 C PHE A 91 6.260 -8.055 4.058 1.00 0.00 C ATOM 1381 O PHE A 91 6.107 -6.877 4.375 1.00 0.00 O ATOM 1382 CB PHE A 91 4.658 -8.465 2.161 1.00 0.00 C ATOM 1383 CG PHE A 91 5.797 -8.376 1.172 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.396 -9.526 0.678 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.266 -7.142 0.733 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.433 -9.449 -0.232 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.302 -7.062 -0.179 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.887 -8.218 -0.660 1.00 0.00 C ATOM 0 H PHE A 91 3.122 -8.288 4.071 1.00 0.00 H new ATOM 0 HA PHE A 91 5.393 -9.944 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.917 -9.167 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.172 -7.491 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.047 -10.493 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.815 -6.235 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.889 -10.353 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.654 -6.098 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.699 -8.158 -1.370 1.00 0.00 H new ATOM 1398 N GLU A 92 7.445 -8.661 4.111 1.00 0.00 N ATOM 1399 CA GLU A 92 8.667 -7.934 4.481 1.00 0.00 C ATOM 1400 C GLU A 92 9.351 -7.318 3.251 1.00 0.00 C ATOM 1401 O GLU A 92 9.990 -8.013 2.462 1.00 0.00 O ATOM 1402 CB GLU A 92 9.654 -8.844 5.234 1.00 0.00 C ATOM 1403 CG GLU A 92 9.912 -10.194 4.563 1.00 0.00 C ATOM 1404 CD GLU A 92 10.968 -11.019 5.283 1.00 0.00 C ATOM 1405 OE1 GLU A 92 10.677 -11.541 6.378 1.00 0.00 O ATOM 1406 OE2 GLU A 92 12.100 -11.140 4.764 1.00 0.00 O ATOM 0 H GLU A 92 7.589 -9.649 3.904 1.00 0.00 H new ATOM 0 HA GLU A 92 8.366 -7.125 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.603 -8.319 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.272 -9.020 6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.981 -10.759 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.227 -10.028 3.533 1.00 0.00 H new ATOM 1413 N LEU A 93 9.203 -6.009 3.087 1.00 0.00 N ATOM 1414 CA LEU A 93 9.835 -5.299 1.971 1.00 0.00 C ATOM 1415 C LEU A 93 11.255 -4.844 2.330 1.00 0.00 C ATOM 1416 O LEU A 93 12.242 -5.346 1.793 1.00 0.00 O ATOM 1417 CB LEU A 93 8.988 -4.086 1.556 1.00 0.00 C ATOM 1418 CG LEU A 93 9.619 -3.189 0.475 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.854 -3.973 -0.816 1.00 0.00 C ATOM 1420 CD2 LEU A 93 8.744 -1.964 0.213 1.00 0.00 C ATOM 0 H LEU A 93 8.654 -5.415 3.708 1.00 0.00 H new ATOM 0 HA LEU A 93 9.900 -5.994 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.024 -4.442 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.792 -3.480 2.440 1.00 0.00 H new ATOM 0 HG LEU A 93 10.587 -2.846 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.300 -3.317 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.526 -4.808 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.903 -4.354 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.207 -1.343 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.760 -2.286 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.640 -1.388 1.132 1.00 0.00 H new ATOM 1432 N ALA A 94 11.344 -3.886 3.244 1.00 0.00 N ATOM 1433 CA ALA A 94 12.629 -3.329 3.674 1.00 0.00 C ATOM 1434 C ALA A 94 13.104 -3.964 4.990 1.00 0.00 C ATOM 1435 O ALA A 94 13.559 -3.265 5.899 1.00 0.00 O ATOM 1436 CB ALA A 94 12.502 -1.814 3.821 1.00 0.00 C ATOM 0 H ALA A 94 10.535 -3.472 3.708 1.00 0.00 H new ATOM 0 HA ALA A 94 13.378 -3.557 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.457 -1.398 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.219 -1.378 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.739 -1.583 4.564 1.00 0.00 H new ATOM 1442 N GLY A 95 13.009 -5.293 5.084 1.00 0.00 N ATOM 1443 CA GLY A 95 13.363 -5.982 6.325 1.00 0.00 C ATOM 1444 C GLY A 95 12.374 -5.691 7.448 1.00 0.00 C ATOM 1445 O GLY A 95 12.712 -5.758 8.631 1.00 0.00 O ATOM 0 H GLY A 95 12.696 -5.903 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.399 -7.056 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.362 -5.677 6.635 1.00 0.00 H new ATOM 1449 N ARG A 96 11.147 -5.370 7.057 1.00 0.00 N ATOM 1450 CA ARG A 96 10.090 -4.975 7.987 1.00 0.00 C ATOM 1451 C ARG A 96 8.712 -5.339 7.411 1.00 0.00 C ATOM 1452 O ARG A 96 8.446 -5.086 6.232 1.00 0.00 O ATOM 1453 CB ARG A 96 10.181 -3.462 8.253 1.00 0.00 C ATOM 1454 CG ARG A 96 9.009 -2.880 9.039 1.00 0.00 C ATOM 1455 CD ARG A 96 9.193 -1.388 9.305 1.00 0.00 C ATOM 1456 NE ARG A 96 7.981 -0.767 9.833 1.00 0.00 N ATOM 1457 CZ ARG A 96 7.917 0.456 10.287 1.00 0.00 C ATOM 1458 NH1 ARG A 96 8.977 1.197 10.361 1.00 0.00 N ATOM 1459 NH2 ARG A 96 6.788 0.930 10.689 1.00 0.00 N ATOM 0 H ARG A 96 10.853 -5.376 6.080 1.00 0.00 H new ATOM 0 HA ARG A 96 10.218 -5.510 8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.103 -3.258 8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.253 -2.943 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.084 -3.039 8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.908 -3.409 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.010 -1.245 10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.481 -0.889 8.380 1.00 0.00 H new ATOM 0 HE ARG A 96 7.128 -1.326 9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.879 0.827 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.909 2.150 10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.949 0.351 10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.733 1.885 11.044 1.00 0.00 H new ATOM 1473 N PRO A 97 7.831 -5.963 8.223 1.00 0.00 N ATOM 1474 CA PRO A 97 6.477 -6.360 7.784 1.00 0.00 C ATOM 1475 C PRO A 97 5.648 -5.204 7.193 1.00 0.00 C ATOM 1476 O PRO A 97 5.806 -4.040 7.570 1.00 0.00 O ATOM 1477 CB PRO A 97 5.824 -6.882 9.073 1.00 0.00 C ATOM 1478 CG PRO A 97 6.969 -7.321 9.920 1.00 0.00 C ATOM 1479 CD PRO A 97 8.085 -6.354 9.626 1.00 0.00 C ATOM 0 HA PRO A 97 6.527 -7.090 6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.241 -6.104 9.566 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.143 -7.708 8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.704 -7.304 10.977 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.263 -8.343 9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.059 -5.494 10.295 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.063 -6.820 9.744 1.00 0.00 H new ATOM 1487 N MET A 98 4.747 -5.551 6.276 1.00 0.00 N ATOM 1488 CA MET A 98 3.886 -4.574 5.604 1.00 0.00 C ATOM 1489 C MET A 98 2.499 -4.523 6.262 1.00 0.00 C ATOM 1490 O MET A 98 1.702 -5.449 6.121 1.00 0.00 O ATOM 1491 CB MET A 98 3.733 -4.963 4.127 1.00 0.00 C ATOM 1492 CG MET A 98 2.991 -3.937 3.285 1.00 0.00 C ATOM 1493 SD MET A 98 4.027 -2.534 2.843 1.00 0.00 S ATOM 1494 CE MET A 98 5.225 -3.334 1.775 1.00 0.00 C ATOM 0 H MET A 98 4.592 -6.514 5.977 1.00 0.00 H new ATOM 0 HA MET A 98 4.347 -3.590 5.688 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.724 -5.119 3.700 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.206 -5.915 4.067 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.623 -4.414 2.377 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.119 -3.582 3.834 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.605 -2.614 1.051 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.051 -3.715 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 98 4.748 -4.161 1.249 1.00 0.00 H new ATOM 1504 N LYS A 99 2.209 -3.444 6.978 1.00 0.00 N ATOM 1505 CA LYS A 99 0.911 -3.297 7.647 1.00 0.00 C ATOM 1506 C LYS A 99 -0.119 -2.640 6.721 1.00 0.00 C ATOM 1507 O LYS A 99 -0.117 -1.426 6.540 1.00 0.00 O ATOM 1508 CB LYS A 99 1.066 -2.475 8.938 1.00 0.00 C ATOM 1509 CG LYS A 99 1.816 -3.209 10.046 1.00 0.00 C ATOM 1510 CD LYS A 99 1.109 -4.505 10.432 1.00 0.00 C ATOM 1511 CE LYS A 99 1.838 -5.248 11.545 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.168 -6.533 11.881 1.00 0.00 N ATOM 0 H LYS A 99 2.847 -2.659 7.113 1.00 0.00 H new ATOM 0 HA LYS A 99 0.549 -4.293 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.592 -1.549 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.077 -2.198 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.831 -3.431 9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.899 -2.564 10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.092 -4.280 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.032 -5.150 9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.866 -5.443 11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.883 -4.618 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.693 -7.010 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.195 -6.345 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.147 -7.144 11.040 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.983 -3.457 6.122 1.00 0.00 N ATOM 1527 CA VAL A 100 -2.009 -2.959 5.199 1.00 0.00 C ATOM 1528 C VAL A 100 -3.429 -3.245 5.722 1.00 0.00 C ATOM 1529 O VAL A 100 -3.881 -4.392 5.734 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.850 -3.580 3.785 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.911 -3.032 2.826 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.448 -3.326 3.237 1.00 0.00 C ATOM 0 H VAL A 100 -0.996 -4.468 6.257 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.869 -1.880 5.131 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.994 -4.657 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.779 -3.482 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.904 -3.274 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.806 -1.950 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.359 -3.770 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.272 -2.252 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.290 -3.774 3.903 1.00 0.00 H new ATOM 1542 N GLY A 101 -4.122 -2.198 6.166 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.500 -2.346 6.640 1.00 0.00 C ATOM 1544 C GLY A 101 -6.496 -1.496 5.853 1.00 0.00 C ATOM 1545 O GLY A 101 -6.127 -0.472 5.280 1.00 0.00 O ATOM 0 H GLY A 101 -3.758 -1.246 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.791 -3.394 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.548 -2.070 7.693 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.770 -1.899 5.836 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.797 -1.172 5.069 1.00 0.00 C ATOM 1551 C HIS A 102 -9.341 0.056 5.829 1.00 0.00 C ATOM 1552 O HIS A 102 -10.552 0.278 5.886 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.946 -2.110 4.655 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.603 -2.852 5.782 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.410 -2.245 6.720 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.599 -4.172 6.098 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.870 -3.152 7.556 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.396 -4.326 7.203 1.00 0.00 N ATOM 0 H HIS A 102 -8.117 -2.716 6.338 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.310 -0.800 4.167 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.704 -1.523 4.137 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.561 -2.836 3.939 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -11.619 -1.247 6.760 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.068 -4.954 5.577 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.527 -2.963 8.392 1.00 0.00 H new