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 Set 1.1: A 39 THR OG1 : rot 180:sc= -1.69! USER MOD Set 1.2: A 42 MET CE :methyl 164:sc= 0 (180deg=-0.49) USER MOD Single : A 27 MET CE :methyl -164:sc= 0 (180deg=-0.366) USER MOD Single : A 30 TYR OH : rot -37:sc= 0.0258 USER MOD Single : A 33 SER OG : rot -81:sc= -3.37! USER MOD Single : A 35 HIS : no HE2:sc= -2.45 K(o=-2.5,f=-6.4!) USER MOD Single : A 37 ASN : amide:sc= -0.569 K(o=-0.57,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.0427 X(o=0.043,f=-0.034) USER MOD Single : A 59 MET CE :methyl 152:sc= -0.226 (180deg=-1.03) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 130:sc= -0.25 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 68:sc= 0.212 USER MOD Single : A 82 LYS NZ :NH3+ 138:sc= -2.43! (180deg=-5.33!) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 0.749 (180deg=0.378) USER MOD Single : A 87 GLN : amide:sc= 0.622 K(o=0.62,f=-0.61) USER MOD Single : A 89 ASN : amide:sc= -0.598 K(o=-0.6,f=-3.7!) USER MOD Single : A 98 MET CE :methyl -102:sc= -1.36 (180deg=-2.74!) USER MOD Single : A 99 LYS NZ :NH3+ -164:sc= -0.0345 (180deg=-0.299) USER MOD Single : A 102 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.899 2.648 -5.963 1.00 0.00 N ATOM 360 CA PRO A 26 -12.502 2.830 -5.536 1.00 0.00 C ATOM 361 C PRO A 26 -12.289 2.501 -4.048 1.00 0.00 C ATOM 362 O PRO A 26 -13.068 2.921 -3.185 1.00 0.00 O ATOM 363 CB PRO A 26 -12.229 4.327 -5.801 1.00 0.00 C ATOM 364 CG PRO A 26 -13.360 4.791 -6.661 1.00 0.00 C ATOM 365 CD PRO A 26 -14.535 3.936 -6.283 1.00 0.00 C ATOM 0 HA PRO A 26 -11.830 2.160 -6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.188 4.890 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.271 4.469 -6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.573 5.846 -6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.119 4.680 -7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.077 4.344 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.250 3.844 -7.100 1.00 0.00 H new ATOM 373 N MET A 27 -11.227 1.755 -3.749 1.00 0.00 N ATOM 374 CA MET A 27 -10.922 1.356 -2.368 1.00 0.00 C ATOM 375 C MET A 27 -9.627 2.017 -1.861 1.00 0.00 C ATOM 376 O MET A 27 -8.608 2.031 -2.555 1.00 0.00 O ATOM 377 CB MET A 27 -10.806 -0.174 -2.281 1.00 0.00 C ATOM 378 CG MET A 27 -10.645 -0.710 -0.864 1.00 0.00 C ATOM 379 SD MET A 27 -10.561 -2.511 -0.818 1.00 0.00 S ATOM 380 CE MET A 27 -10.447 -2.808 0.944 1.00 0.00 C ATOM 0 H MET A 27 -10.561 1.413 -4.441 1.00 0.00 H new ATOM 0 HA MET A 27 -11.738 1.695 -1.730 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.695 -0.620 -2.727 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.953 -0.497 -2.878 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.739 -0.295 -0.422 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.482 -0.372 -0.253 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.107 -3.829 1.120 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.738 -2.108 1.386 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.427 -2.669 1.401 1.00 0.00 H new ATOM 390 N ARG A 28 -9.681 2.571 -0.648 1.00 0.00 N ATOM 391 CA ARG A 28 -8.507 3.191 -0.016 1.00 0.00 C ATOM 392 C ARG A 28 -7.855 2.237 1.002 1.00 0.00 C ATOM 393 O ARG A 28 -8.468 1.872 2.008 1.00 0.00 O ATOM 394 CB ARG A 28 -8.904 4.508 0.683 1.00 0.00 C ATOM 395 CG ARG A 28 -7.774 5.139 1.499 1.00 0.00 C ATOM 396 CD ARG A 28 -8.235 6.368 2.285 1.00 0.00 C ATOM 397 NE ARG A 28 -8.446 7.540 1.432 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.663 8.746 1.890 1.00 0.00 C ATOM 399 NH1 ARG A 28 -8.765 8.961 3.161 1.00 0.00 N ATOM 400 NH2 ARG A 28 -8.796 9.738 1.074 1.00 0.00 N ATOM 0 H ARG A 28 -10.527 2.605 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.782 3.406 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.238 5.222 -0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.752 4.318 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.373 4.399 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.962 5.423 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.162 6.133 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.492 6.607 3.046 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.422 7.408 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.676 8.186 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.934 9.906 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.732 9.583 0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.965 10.677 1.436 1.00 0.00 H new ATOM 414 N LEU A 29 -6.613 1.836 0.734 1.00 0.00 N ATOM 415 CA LEU A 29 -5.857 0.971 1.648 1.00 0.00 C ATOM 416 C LEU A 29 -4.873 1.777 2.507 1.00 0.00 C ATOM 417 O LEU A 29 -4.274 2.750 2.046 1.00 0.00 O ATOM 418 CB LEU A 29 -5.084 -0.100 0.865 1.00 0.00 C ATOM 419 CG LEU A 29 -5.947 -1.133 0.122 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.061 -2.152 -0.594 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.907 -1.833 1.085 1.00 0.00 C ATOM 0 H LEU A 29 -6.105 2.096 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.581 0.492 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.441 0.399 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.431 -0.630 1.558 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.542 -0.608 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.687 -2.876 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.424 -1.638 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.439 -2.669 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.507 -2.559 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.336 -2.345 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.563 -1.094 1.546 1.00 0.00 H new ATOM 433 N TYR A 30 -4.723 1.363 3.758 1.00 0.00 N ATOM 434 CA TYR A 30 -3.759 1.965 4.684 1.00 0.00 C ATOM 435 C TYR A 30 -2.468 1.133 4.737 1.00 0.00 C ATOM 436 O TYR A 30 -2.497 -0.049 5.084 1.00 0.00 O ATOM 437 CB TYR A 30 -4.382 2.068 6.089 1.00 0.00 C ATOM 438 CG TYR A 30 -3.395 2.417 7.192 1.00 0.00 C ATOM 439 CD1 TYR A 30 -3.074 3.739 7.480 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.785 1.416 7.946 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.177 4.053 8.485 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.889 1.723 8.948 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.587 3.041 9.215 1.00 0.00 C ATOM 444 OH TYR A 30 -0.690 3.350 10.214 1.00 0.00 O ATOM 0 H TYR A 30 -5.264 0.600 4.165 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.508 2.964 4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.168 2.823 6.070 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.858 1.118 6.332 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.532 4.533 6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.018 0.381 7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.939 5.085 8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.426 0.934 9.521 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.146 4.117 9.939 1.00 0.00 H new ATOM 454 N VAL A 31 -1.343 1.751 4.382 1.00 0.00 N ATOM 455 CA VAL A 31 -0.032 1.094 4.454 1.00 0.00 C ATOM 456 C VAL A 31 0.865 1.794 5.491 1.00 0.00 C ATOM 457 O VAL A 31 1.266 2.941 5.295 1.00 0.00 O ATOM 458 CB VAL A 31 0.674 1.099 3.073 1.00 0.00 C ATOM 459 CG1 VAL A 31 2.031 0.399 3.144 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.218 0.454 2.012 1.00 0.00 C ATOM 0 H VAL A 31 -1.310 2.711 4.039 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.197 0.060 4.757 1.00 0.00 H new ATOM 0 HB VAL A 31 0.851 2.136 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.502 0.418 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.669 0.914 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.891 -0.635 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.294 0.467 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.433 -0.576 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.151 1.011 1.934 1.00 0.00 H new ATOM 470 N GLY A 32 1.177 1.107 6.592 1.00 0.00 N ATOM 471 CA GLY A 32 1.934 1.741 7.676 1.00 0.00 C ATOM 472 C GLY A 32 3.046 0.877 8.266 1.00 0.00 C ATOM 473 O GLY A 32 2.806 0.087 9.177 1.00 0.00 O ATOM 0 H GLY A 32 0.924 0.133 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.371 2.667 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.242 2.014 8.473 1.00 0.00 H new ATOM 477 N SER A 33 4.265 1.035 7.745 1.00 0.00 N ATOM 478 CA SER A 33 5.450 0.336 8.284 1.00 0.00 C ATOM 479 C SER A 33 6.746 0.764 7.568 1.00 0.00 C ATOM 480 O SER A 33 7.761 0.065 7.629 1.00 0.00 O ATOM 481 CB SER A 33 5.286 -1.184 8.160 1.00 0.00 C ATOM 482 OG SER A 33 5.189 -1.577 6.803 1.00 0.00 O ATOM 0 H SER A 33 4.465 1.641 6.949 1.00 0.00 H new ATOM 0 HA SER A 33 5.529 0.613 9.335 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.135 -1.684 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.393 -1.502 8.699 1.00 0.00 H new ATOM 0 HG SER A 33 4.272 -1.437 6.487 1.00 0.00 H new ATOM 488 N LEU A 34 6.718 1.923 6.909 1.00 0.00 N ATOM 489 CA LEU A 34 7.859 2.383 6.101 1.00 0.00 C ATOM 490 C LEU A 34 8.901 3.115 6.965 1.00 0.00 C ATOM 491 O LEU A 34 8.557 3.741 7.966 1.00 0.00 O ATOM 492 CB LEU A 34 7.365 3.303 4.975 1.00 0.00 C ATOM 493 CG LEU A 34 6.177 2.762 4.157 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.827 3.712 3.016 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.469 1.356 3.632 1.00 0.00 C ATOM 0 H LEU A 34 5.923 2.562 6.916 1.00 0.00 H new ATOM 0 HA LEU A 34 8.341 1.507 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.079 4.261 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.195 3.496 4.295 1.00 0.00 H new ATOM 0 HG LEU A 34 5.313 2.698 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.985 3.309 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.558 4.686 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.687 3.820 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.615 0.997 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.351 1.382 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.650 0.685 4.471 1.00 0.00 H new ATOM 507 N HIS A 35 10.180 3.051 6.572 1.00 0.00 N ATOM 508 CA HIS A 35 11.253 3.661 7.379 1.00 0.00 C ATOM 509 C HIS A 35 12.074 4.708 6.592 1.00 0.00 C ATOM 510 O HIS A 35 13.184 4.437 6.138 1.00 0.00 O ATOM 511 CB HIS A 35 12.167 2.574 7.977 1.00 0.00 C ATOM 512 CG HIS A 35 12.996 1.816 6.978 1.00 0.00 C ATOM 513 ND1 HIS A 35 14.277 2.192 6.636 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.738 0.698 6.255 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.767 1.352 5.756 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.859 0.436 5.506 1.00 0.00 N ATOM 0 H HIS A 35 10.497 2.593 5.717 1.00 0.00 H new ATOM 0 HA HIS A 35 10.769 4.200 8.194 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.835 3.041 8.700 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.549 1.864 8.526 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.770 3.002 7.011 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.824 0.123 6.266 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.750 1.404 5.312 1.00 0.00 H new ATOM 525 N PHE A 36 11.489 5.895 6.417 1.00 0.00 N ATOM 526 CA PHE A 36 12.175 7.057 5.814 1.00 0.00 C ATOM 527 C PHE A 36 13.017 6.673 4.572 1.00 0.00 C ATOM 528 O PHE A 36 14.136 7.153 4.386 1.00 0.00 O ATOM 529 CB PHE A 36 13.054 7.742 6.881 1.00 0.00 C ATOM 530 CG PHE A 36 13.466 9.157 6.537 1.00 0.00 C ATOM 531 CD1 PHE A 36 12.535 10.186 6.566 1.00 0.00 C ATOM 532 CD2 PHE A 36 14.777 9.460 6.190 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.901 11.483 6.253 1.00 0.00 C ATOM 534 CE2 PHE A 36 15.145 10.755 5.877 1.00 0.00 C ATOM 535 CZ PHE A 36 14.208 11.767 5.909 1.00 0.00 C ATOM 0 H PHE A 36 10.524 6.085 6.688 1.00 0.00 H new ATOM 0 HA PHE A 36 11.411 7.751 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.513 7.754 7.827 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.951 7.142 7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.512 9.971 6.836 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.517 8.674 6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.165 12.273 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.167 10.975 5.607 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.496 12.779 5.666 1.00 0.00 H new ATOM 545 N ASN A 37 12.465 5.808 3.724 1.00 0.00 N ATOM 546 CA ASN A 37 13.172 5.350 2.517 1.00 0.00 C ATOM 547 C ASN A 37 12.187 4.941 1.413 1.00 0.00 C ATOM 548 O ASN A 37 12.288 5.394 0.275 1.00 0.00 O ATOM 549 CB ASN A 37 14.102 4.173 2.861 1.00 0.00 C ATOM 550 CG ASN A 37 14.888 3.656 1.663 1.00 0.00 C ATOM 551 OD1 ASN A 37 15.174 2.467 1.564 1.00 0.00 O ATOM 552 ND2 ASN A 37 15.264 4.539 0.755 1.00 0.00 N ATOM 0 H ASN A 37 11.534 5.408 3.844 1.00 0.00 H new ATOM 0 HA ASN A 37 13.770 6.181 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.800 4.486 3.637 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.508 3.359 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.807 4.238 -0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.012 5.521 0.864 1.00 0.00 H new ATOM 559 N ILE A 38 11.234 4.084 1.768 1.00 0.00 N ATOM 560 CA ILE A 38 10.243 3.580 0.809 1.00 0.00 C ATOM 561 C ILE A 38 9.377 4.725 0.252 1.00 0.00 C ATOM 562 O ILE A 38 8.808 5.517 1.008 1.00 0.00 O ATOM 563 CB ILE A 38 9.322 2.495 1.440 1.00 0.00 C ATOM 564 CG1 ILE A 38 10.127 1.255 1.884 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.222 2.082 0.464 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.980 1.469 3.119 1.00 0.00 C ATOM 0 H ILE A 38 11.123 3.720 2.714 1.00 0.00 H new ATOM 0 HA ILE A 38 10.804 3.124 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 38 8.862 2.936 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.433 0.436 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 38 10.771 0.942 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.591 1.323 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.616 2.952 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.673 1.676 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.510 0.547 3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.701 2.264 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.342 1.750 3.957 1.00 0.00 H new ATOM 578 N THR A 39 9.288 4.810 -1.073 1.00 0.00 N ATOM 579 CA THR A 39 8.572 5.905 -1.745 1.00 0.00 C ATOM 580 C THR A 39 7.236 5.442 -2.337 1.00 0.00 C ATOM 581 O THR A 39 6.933 4.244 -2.381 1.00 0.00 O ATOM 582 CB THR A 39 9.419 6.514 -2.888 1.00 0.00 C ATOM 583 OG1 THR A 39 9.553 5.565 -3.958 1.00 0.00 O ATOM 584 CG2 THR A 39 10.801 6.920 -2.386 1.00 0.00 C ATOM 0 H THR A 39 9.704 4.132 -1.711 1.00 0.00 H new ATOM 0 HA THR A 39 8.385 6.656 -0.977 1.00 0.00 H new ATOM 0 HB THR A 39 8.908 7.405 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.089 5.958 -4.678 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.376 7.345 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.697 7.662 -1.594 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.318 6.043 -1.996 1.00 0.00 H new ATOM 592 N GLU A 40 6.449 6.405 -2.816 1.00 0.00 N ATOM 593 CA GLU A 40 5.150 6.123 -3.434 1.00 0.00 C ATOM 594 C GLU A 40 5.329 5.362 -4.757 1.00 0.00 C ATOM 595 O GLU A 40 4.504 4.522 -5.124 1.00 0.00 O ATOM 596 CB GLU A 40 4.389 7.439 -3.669 1.00 0.00 C ATOM 597 CG GLU A 40 4.232 8.282 -2.402 1.00 0.00 C ATOM 598 CD GLU A 40 3.579 9.636 -2.640 1.00 0.00 C ATOM 599 OE1 GLU A 40 3.628 10.137 -3.784 1.00 0.00 O ATOM 600 OE2 GLU A 40 3.036 10.222 -1.674 1.00 0.00 O ATOM 0 H GLU A 40 6.690 7.396 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 40 4.571 5.493 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.914 8.024 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.401 7.213 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.637 7.725 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.214 8.437 -1.956 1.00 0.00 H new ATOM 607 N ASP A 41 6.425 5.654 -5.458 1.00 0.00 N ATOM 608 CA ASP A 41 6.773 4.944 -6.693 1.00 0.00 C ATOM 609 C ASP A 41 7.060 3.459 -6.415 1.00 0.00 C ATOM 610 O ASP A 41 6.686 2.581 -7.200 1.00 0.00 O ATOM 611 CB ASP A 41 7.992 5.595 -7.349 1.00 0.00 C ATOM 612 CG ASP A 41 7.766 7.066 -7.645 1.00 0.00 C ATOM 613 OD1 ASP A 41 7.268 7.391 -8.745 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.072 7.906 -6.775 1.00 0.00 O ATOM 0 H ASP A 41 7.090 6.380 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 41 5.922 5.008 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.856 5.487 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.227 5.071 -8.276 1.00 0.00 H new ATOM 619 N MET A 42 7.732 3.186 -5.293 1.00 0.00 N ATOM 620 CA MET A 42 8.014 1.806 -4.874 1.00 0.00 C ATOM 621 C MET A 42 6.706 1.056 -4.602 1.00 0.00 C ATOM 622 O MET A 42 6.463 -0.030 -5.137 1.00 0.00 O ATOM 623 CB MET A 42 8.879 1.792 -3.605 1.00 0.00 C ATOM 624 CG MET A 42 10.223 2.486 -3.756 1.00 0.00 C ATOM 625 SD MET A 42 11.159 2.507 -2.213 1.00 0.00 S ATOM 626 CE MET A 42 12.585 3.483 -2.689 1.00 0.00 C ATOM 0 H MET A 42 8.091 3.899 -4.658 1.00 0.00 H new ATOM 0 HA MET A 42 8.555 1.312 -5.681 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.325 2.270 -2.797 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.049 0.757 -3.307 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.806 1.980 -4.526 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.065 3.509 -4.097 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.108 3.824 -1.795 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.258 2.874 -3.293 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.258 4.346 -3.269 1.00 0.00 H new ATOM 636 N LEU A 43 5.867 1.662 -3.766 1.00 0.00 N ATOM 637 CA LEU A 43 4.558 1.102 -3.423 1.00 0.00 C ATOM 638 C LEU A 43 3.734 0.811 -4.684 1.00 0.00 C ATOM 639 O LEU A 43 3.241 -0.300 -4.869 1.00 0.00 O ATOM 640 CB LEU A 43 3.808 2.077 -2.507 1.00 0.00 C ATOM 641 CG LEU A 43 4.507 2.374 -1.170 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.851 3.556 -0.469 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.503 1.141 -0.271 1.00 0.00 C ATOM 0 H LEU A 43 6.071 2.550 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 43 4.709 0.158 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.662 3.016 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.818 1.671 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 43 5.544 2.637 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.361 3.748 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.918 4.439 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.803 3.328 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.003 1.375 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.475 0.840 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.029 0.326 -0.769 1.00 0.00 H new ATOM 655 N ARG A 44 3.613 1.806 -5.562 1.00 0.00 N ATOM 656 CA ARG A 44 2.881 1.637 -6.824 1.00 0.00 C ATOM 657 C ARG A 44 3.348 0.379 -7.573 1.00 0.00 C ATOM 658 O ARG A 44 2.538 -0.457 -7.969 1.00 0.00 O ATOM 659 CB ARG A 44 3.056 2.873 -7.718 1.00 0.00 C ATOM 660 CG ARG A 44 2.250 2.801 -9.010 1.00 0.00 C ATOM 661 CD ARG A 44 2.435 4.029 -9.896 1.00 0.00 C ATOM 662 NE ARG A 44 1.714 3.879 -11.163 1.00 0.00 N ATOM 663 CZ ARG A 44 1.490 4.841 -12.013 1.00 0.00 C ATOM 664 NH1 ARG A 44 1.893 6.045 -11.768 1.00 0.00 N ATOM 665 NH2 ARG A 44 0.851 4.594 -13.112 1.00 0.00 N ATOM 0 H ARG A 44 4.010 2.736 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 44 1.825 1.520 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.758 3.761 -7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.112 2.990 -7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.544 1.911 -9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.193 2.691 -8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.077 4.916 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.496 4.182 -10.094 1.00 0.00 H new ATOM 0 HE ARG A 44 1.361 2.951 -11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.392 6.250 -10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.712 6.790 -12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.524 3.648 -13.311 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.674 5.345 -13.779 1.00 0.00 H new ATOM 679 N GLY A 45 4.664 0.242 -7.735 1.00 0.00 N ATOM 680 CA GLY A 45 5.225 -0.912 -8.432 1.00 0.00 C ATOM 681 C GLY A 45 4.881 -2.249 -7.779 1.00 0.00 C ATOM 682 O GLY A 45 4.809 -3.280 -8.453 1.00 0.00 O ATOM 0 H GLY A 45 5.356 0.911 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.863 -0.916 -9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.309 -0.807 -8.476 1.00 0.00 H new ATOM 686 N ILE A 46 4.678 -2.240 -6.463 1.00 0.00 N ATOM 687 CA ILE A 46 4.319 -3.460 -5.727 1.00 0.00 C ATOM 688 C ILE A 46 2.805 -3.757 -5.804 1.00 0.00 C ATOM 689 O ILE A 46 2.397 -4.916 -5.923 1.00 0.00 O ATOM 690 CB ILE A 46 4.750 -3.363 -4.236 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.271 -3.134 -4.124 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.334 -4.617 -3.461 1.00 0.00 C ATOM 693 CD1 ILE A 46 7.113 -4.250 -4.713 1.00 0.00 C ATOM 0 H ILE A 46 4.755 -1.405 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 46 4.856 -4.280 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 46 4.240 -2.508 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.524 -2.200 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.532 -3.013 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.648 -4.523 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.251 -4.729 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.807 -5.493 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.170 -4.011 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.892 -5.184 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.883 -4.358 -5.773 1.00 0.00 H new ATOM 705 N PHE A 47 1.979 -2.710 -5.747 1.00 0.00 N ATOM 706 CA PHE A 47 0.516 -2.874 -5.701 1.00 0.00 C ATOM 707 C PHE A 47 -0.140 -3.006 -7.102 1.00 0.00 C ATOM 708 O PHE A 47 -1.162 -3.682 -7.242 1.00 0.00 O ATOM 709 CB PHE A 47 -0.119 -1.711 -4.918 1.00 0.00 C ATOM 710 CG PHE A 47 0.129 -1.759 -3.423 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.369 -1.430 -2.893 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.885 -2.128 -2.545 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.594 -1.467 -1.530 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.664 -2.166 -1.182 1.00 0.00 C ATOM 715 CZ PHE A 47 0.576 -1.835 -0.674 1.00 0.00 C ATOM 0 H PHE A 47 2.293 -1.740 -5.731 1.00 0.00 H new ATOM 0 HA PHE A 47 0.325 -3.817 -5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.268 -0.770 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.194 -1.712 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.171 -1.141 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.858 -2.388 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.565 -1.208 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.462 -2.455 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.749 -1.864 0.392 1.00 0.00 H new ATOM 725 N GLU A 48 0.437 -2.373 -8.133 1.00 0.00 N ATOM 726 CA GLU A 48 -0.145 -2.424 -9.496 1.00 0.00 C ATOM 727 C GLU A 48 -0.330 -3.859 -10.042 1.00 0.00 C ATOM 728 O GLU A 48 -1.320 -4.127 -10.730 1.00 0.00 O ATOM 729 CB GLU A 48 0.671 -1.586 -10.491 1.00 0.00 C ATOM 730 CG GLU A 48 0.512 -0.086 -10.290 1.00 0.00 C ATOM 731 CD GLU A 48 1.124 0.734 -11.413 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.359 0.691 -11.585 1.00 0.00 O ATOM 733 OE2 GLU A 48 0.376 1.455 -12.108 1.00 0.00 O ATOM 0 H GLU A 48 1.294 -1.825 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.141 -1.993 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.725 -1.848 -10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.368 -1.843 -11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.548 0.153 -10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.976 0.199 -9.346 1.00 0.00 H new ATOM 740 N PRO A 49 0.613 -4.802 -9.788 1.00 0.00 N ATOM 741 CA PRO A 49 0.411 -6.229 -10.119 1.00 0.00 C ATOM 742 C PRO A 49 -0.960 -6.776 -9.665 1.00 0.00 C ATOM 743 O PRO A 49 -1.455 -7.775 -10.199 1.00 0.00 O ATOM 744 CB PRO A 49 1.547 -6.919 -9.358 1.00 0.00 C ATOM 745 CG PRO A 49 2.641 -5.909 -9.336 1.00 0.00 C ATOM 746 CD PRO A 49 1.963 -4.564 -9.227 1.00 0.00 C ATOM 0 HA PRO A 49 0.421 -6.399 -11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.240 -7.195 -8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.861 -7.835 -9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.311 -6.078 -8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.246 -5.969 -10.241 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.912 -4.224 -8.192 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.500 -3.799 -9.788 1.00 0.00 H new ATOM 754 N PHE A 50 -1.566 -6.122 -8.675 1.00 0.00 N ATOM 755 CA PHE A 50 -2.918 -6.469 -8.218 1.00 0.00 C ATOM 756 C PHE A 50 -3.978 -5.615 -8.929 1.00 0.00 C ATOM 757 O PHE A 50 -5.004 -6.124 -9.386 1.00 0.00 O ATOM 758 CB PHE A 50 -3.030 -6.261 -6.704 1.00 0.00 C ATOM 759 CG PHE A 50 -2.027 -7.056 -5.911 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.323 -8.341 -5.484 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.789 -6.518 -5.590 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.408 -9.068 -4.754 1.00 0.00 C ATOM 763 CE2 PHE A 50 0.130 -7.244 -4.861 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.180 -8.521 -4.441 1.00 0.00 C ATOM 0 H PHE A 50 -1.142 -5.344 -8.169 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.096 -7.517 -8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.900 -5.202 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.035 -6.534 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.281 -8.777 -5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.542 -5.518 -5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.652 -10.068 -4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.091 -6.813 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.537 -9.091 -3.869 1.00 0.00 H new ATOM 774 N GLY A 51 -3.711 -4.316 -9.021 1.00 0.00 N ATOM 775 CA GLY A 51 -4.641 -3.384 -9.636 1.00 0.00 C ATOM 776 C GLY A 51 -4.051 -1.983 -9.745 1.00 0.00 C ATOM 777 O GLY A 51 -3.351 -1.530 -8.842 1.00 0.00 O ATOM 0 H GLY A 51 -2.853 -3.886 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.911 -3.743 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.559 -3.347 -9.050 1.00 0.00 H new ATOM 781 N ARG A 52 -4.316 -1.310 -10.858 1.00 0.00 N ATOM 782 CA ARG A 52 -3.804 0.049 -11.086 1.00 0.00 C ATOM 783 C ARG A 52 -4.260 1.030 -9.992 1.00 0.00 C ATOM 784 O ARG A 52 -5.434 1.062 -9.609 1.00 0.00 O ATOM 785 CB ARG A 52 -4.255 0.569 -12.458 1.00 0.00 C ATOM 786 CG ARG A 52 -3.704 1.953 -12.804 1.00 0.00 C ATOM 787 CD ARG A 52 -4.327 2.507 -14.082 1.00 0.00 C ATOM 788 NE ARG A 52 -5.783 2.618 -13.976 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.429 3.739 -13.791 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.797 4.862 -13.721 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.719 3.738 -13.693 1.00 0.00 N ATOM 0 H ARG A 52 -4.883 -1.678 -11.622 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.716 -0.011 -11.054 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.942 -0.139 -13.225 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.344 0.605 -12.483 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.897 2.638 -11.979 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.622 1.894 -12.923 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.903 3.488 -14.297 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.072 1.859 -14.921 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.331 1.761 -14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.781 4.882 -13.810 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.313 5.730 -13.576 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.235 2.861 -13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.220 4.615 -13.549 1.00 0.00 H new ATOM 805 N ILE A 53 -3.322 1.838 -9.500 1.00 0.00 N ATOM 806 CA ILE A 53 -3.618 2.840 -8.473 1.00 0.00 C ATOM 807 C ILE A 53 -3.925 4.206 -9.104 1.00 0.00 C ATOM 808 O ILE A 53 -3.253 4.632 -10.045 1.00 0.00 O ATOM 809 CB ILE A 53 -2.443 3.008 -7.467 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.160 1.699 -6.701 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.740 4.138 -6.484 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.461 0.633 -7.518 1.00 0.00 C ATOM 0 H ILE A 53 -2.346 1.819 -9.797 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.494 2.477 -7.935 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.551 3.260 -8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.549 1.928 -5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.104 1.297 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.908 4.242 -5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.874 5.071 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.650 3.909 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.302 -0.252 -6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.078 0.370 -8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.499 1.012 -7.864 1.00 0.00 H new ATOM 824 N GLU A 54 -4.940 4.888 -8.582 1.00 0.00 N ATOM 825 CA GLU A 54 -5.296 6.233 -9.050 1.00 0.00 C ATOM 826 C GLU A 54 -4.517 7.324 -8.298 1.00 0.00 C ATOM 827 O GLU A 54 -4.078 8.309 -8.892 1.00 0.00 O ATOM 828 CB GLU A 54 -6.808 6.471 -8.902 1.00 0.00 C ATOM 829 CG GLU A 54 -7.668 5.585 -9.805 1.00 0.00 C ATOM 830 CD GLU A 54 -7.638 5.989 -11.281 1.00 0.00 C ATOM 831 OE1 GLU A 54 -6.592 6.483 -11.763 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.671 5.809 -11.967 1.00 0.00 O ATOM 0 H GLU A 54 -5.535 4.534 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.023 6.293 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.093 6.299 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.024 7.516 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.329 4.553 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.699 5.614 -9.451 1.00 0.00 H new ATOM 839 N SER A 55 -4.356 7.154 -6.986 1.00 0.00 N ATOM 840 CA SER A 55 -3.639 8.144 -6.164 1.00 0.00 C ATOM 841 C SER A 55 -2.959 7.505 -4.948 1.00 0.00 C ATOM 842 O SER A 55 -3.563 6.710 -4.225 1.00 0.00 O ATOM 843 CB SER A 55 -4.596 9.249 -5.693 1.00 0.00 C ATOM 844 OG SER A 55 -3.926 10.200 -4.876 1.00 0.00 O ATOM 0 H SER A 55 -4.707 6.349 -6.467 1.00 0.00 H new ATOM 0 HA SER A 55 -2.862 8.575 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.029 9.751 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.421 8.805 -5.136 1.00 0.00 H new ATOM 0 HG SER A 55 -4.560 10.892 -4.593 1.00 0.00 H new ATOM 850 N ILE A 56 -1.690 7.854 -4.741 1.00 0.00 N ATOM 851 CA ILE A 56 -0.941 7.434 -3.551 1.00 0.00 C ATOM 852 C ILE A 56 -0.522 8.659 -2.729 1.00 0.00 C ATOM 853 O ILE A 56 -0.017 9.640 -3.282 1.00 0.00 O ATOM 854 CB ILE A 56 0.331 6.624 -3.923 1.00 0.00 C ATOM 855 CG1 ILE A 56 -0.032 5.434 -4.824 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.058 6.146 -2.661 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.152 4.584 -5.237 1.00 0.00 C ATOM 0 H ILE A 56 -1.152 8.432 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.602 6.794 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 56 1.005 7.279 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.753 4.804 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.526 5.809 -5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.946 5.581 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.352 7.008 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.393 5.509 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.809 3.766 -5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.865 5.197 -5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.635 4.177 -4.349 1.00 0.00 H new ATOM 869 N GLN A 57 -0.732 8.614 -1.417 1.00 0.00 N ATOM 870 CA GLN A 57 -0.338 9.721 -0.540 1.00 0.00 C ATOM 871 C GLN A 57 0.301 9.208 0.756 1.00 0.00 C ATOM 872 O GLN A 57 -0.335 8.505 1.536 1.00 0.00 O ATOM 873 CB GLN A 57 -1.564 10.597 -0.222 1.00 0.00 C ATOM 874 CG GLN A 57 -1.271 11.816 0.654 1.00 0.00 C ATOM 875 CD GLN A 57 -0.260 12.773 0.038 1.00 0.00 C ATOM 876 OE1 GLN A 57 -0.611 13.664 -0.728 1.00 0.00 O ATOM 877 NE2 GLN A 57 0.998 12.617 0.395 1.00 0.00 N ATOM 0 H GLN A 57 -1.170 7.829 -0.936 1.00 0.00 H new ATOM 0 HA GLN A 57 0.408 10.320 -1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.002 10.938 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.314 9.982 0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.201 12.352 0.840 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.898 11.478 1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.257 11.866 1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.713 13.248 0.032 1.00 0.00 H new ATOM 886 N LEU A 58 1.560 9.573 0.987 1.00 0.00 N ATOM 887 CA LEU A 58 2.239 9.235 2.243 1.00 0.00 C ATOM 888 C LEU A 58 2.155 10.414 3.219 1.00 0.00 C ATOM 889 O LEU A 58 2.116 11.571 2.797 1.00 0.00 O ATOM 890 CB LEU A 58 3.716 8.890 1.985 1.00 0.00 C ATOM 891 CG LEU A 58 3.975 7.659 1.096 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.475 7.430 0.910 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.310 6.418 1.684 1.00 0.00 C ATOM 0 H LEU A 58 2.131 10.100 0.327 1.00 0.00 H new ATOM 0 HA LEU A 58 1.743 8.366 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.195 9.754 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.204 8.729 2.946 1.00 0.00 H new ATOM 0 HG LEU A 58 3.536 7.850 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.634 6.556 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.921 8.305 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.941 7.266 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.506 5.561 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.714 6.225 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.235 6.580 1.755 1.00 0.00 H new ATOM 905 N MET A 59 2.136 10.125 4.522 1.00 0.00 N ATOM 906 CA MET A 59 1.997 11.179 5.530 1.00 0.00 C ATOM 907 C MET A 59 3.368 11.677 6.011 1.00 0.00 C ATOM 908 O MET A 59 4.134 10.953 6.659 1.00 0.00 O ATOM 909 CB MET A 59 1.144 10.699 6.714 1.00 0.00 C ATOM 910 CG MET A 59 -0.290 10.355 6.324 1.00 0.00 C ATOM 911 SD MET A 59 -1.390 10.214 7.750 1.00 0.00 S ATOM 912 CE MET A 59 -1.337 11.889 8.389 1.00 0.00 C ATOM 0 H MET A 59 2.214 9.181 4.901 1.00 0.00 H new ATOM 0 HA MET A 59 1.484 12.018 5.060 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.613 9.821 7.158 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.129 11.474 7.480 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.672 11.122 5.651 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.296 9.415 5.772 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.270 12.110 8.907 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.504 11.987 9.085 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.205 12.589 7.564 1.00 0.00 H new ATOM 1033 N LYS A 68 6.172 10.032 8.651 1.00 0.00 N ATOM 1034 CA LYS A 68 5.581 9.232 9.730 1.00 0.00 C ATOM 1035 C LYS A 68 5.495 7.741 9.362 1.00 0.00 C ATOM 1036 O LYS A 68 5.112 6.908 10.185 1.00 0.00 O ATOM 1037 CB LYS A 68 4.208 9.803 10.099 1.00 0.00 C ATOM 1038 CG LYS A 68 4.304 11.146 10.818 1.00 0.00 C ATOM 1039 CD LYS A 68 2.938 11.787 11.046 1.00 0.00 C ATOM 1040 CE LYS A 68 3.035 12.993 11.973 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.733 13.691 12.126 1.00 0.00 N ATOM 0 HA LYS A 68 6.233 9.293 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.613 9.922 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.682 9.091 10.735 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.800 11.005 11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.926 11.823 10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.515 12.095 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.257 11.052 11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.388 12.669 12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.775 13.691 11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.848 14.504 12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.407 14.024 11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.032 13.034 12.524 1.00 0.00 H new ATOM 1055 N GLY A 69 5.853 7.411 8.122 1.00 0.00 N ATOM 1056 CA GLY A 69 6.019 6.009 7.731 1.00 0.00 C ATOM 1057 C GLY A 69 4.734 5.303 7.301 1.00 0.00 C ATOM 1058 O GLY A 69 4.754 4.103 7.018 1.00 0.00 O ATOM 0 H GLY A 69 6.032 8.085 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.736 5.958 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.453 5.463 8.568 1.00 0.00 H new ATOM 1062 N TYR A 70 3.616 6.025 7.249 1.00 0.00 N ATOM 1063 CA TYR A 70 2.355 5.433 6.781 1.00 0.00 C ATOM 1064 C TYR A 70 1.639 6.334 5.766 1.00 0.00 C ATOM 1065 O TYR A 70 1.712 7.563 5.838 1.00 0.00 O ATOM 1066 CB TYR A 70 1.431 5.082 7.960 1.00 0.00 C ATOM 1067 CG TYR A 70 1.076 6.237 8.879 1.00 0.00 C ATOM 1068 CD1 TYR A 70 1.878 6.559 9.970 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.077 6.985 8.671 1.00 0.00 C ATOM 1070 CE1 TYR A 70 1.543 7.593 10.821 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -0.414 8.021 9.517 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.396 8.321 10.590 1.00 0.00 C ATOM 1073 OH TYR A 70 0.054 9.351 11.435 1.00 0.00 O ATOM 0 H TYR A 70 3.552 7.006 7.520 1.00 0.00 H new ATOM 0 HA TYR A 70 2.609 4.507 6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.508 4.660 7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.908 4.302 8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.778 5.990 10.154 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.719 6.751 7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.176 7.830 11.663 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.311 8.596 9.339 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.782 9.761 11.129 1.00 0.00 H new ATOM 1083 N GLY A 71 0.964 5.704 4.806 1.00 0.00 N ATOM 1084 CA GLY A 71 0.283 6.433 3.745 1.00 0.00 C ATOM 1085 C GLY A 71 -0.936 5.697 3.195 1.00 0.00 C ATOM 1086 O GLY A 71 -1.085 4.490 3.389 1.00 0.00 O ATOM 0 H GLY A 71 0.876 4.690 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.029 7.406 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.985 6.618 2.932 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.810 6.431 2.511 1.00 0.00 N ATOM 1091 CA PHE A 72 -3.044 5.868 1.953 1.00 0.00 C ATOM 1092 C PHE A 72 -2.950 5.687 0.429 1.00 0.00 C ATOM 1093 O PHE A 72 -2.589 6.615 -0.298 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.230 6.775 2.297 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.492 6.882 3.780 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -5.264 5.929 4.430 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.960 7.927 4.525 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -5.501 6.016 5.789 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -4.195 8.019 5.884 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.966 7.062 6.517 1.00 0.00 C ATOM 0 H PHE A 72 -1.687 7.427 2.327 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.191 4.883 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.045 7.771 1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.124 6.394 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.685 5.109 3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.355 8.677 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.104 5.267 6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.777 8.838 6.451 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.150 7.132 7.579 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.278 4.487 -0.046 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.271 4.185 -1.483 1.00 0.00 C ATOM 1112 C ILE A 73 -4.700 3.956 -2.006 1.00 0.00 C ATOM 1113 O ILE A 73 -5.479 3.219 -1.404 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.404 2.935 -1.783 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.968 3.153 -1.278 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.407 2.621 -3.277 1.00 0.00 C ATOM 1117 CD1 ILE A 73 -0.055 1.956 -1.469 1.00 0.00 C ATOM 0 H ILE A 73 -3.554 3.702 0.544 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.841 5.046 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.833 2.081 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.538 4.010 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.002 3.405 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.793 1.740 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.428 2.428 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.002 3.470 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.938 2.192 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.459 1.101 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.012 1.715 -2.530 1.00 0.00 H new ATOM 1129 N THR A 74 -5.039 4.587 -3.130 1.00 0.00 N ATOM 1130 CA THR A 74 -6.401 4.504 -3.690 1.00 0.00 C ATOM 1131 C THR A 74 -6.431 3.737 -5.025 1.00 0.00 C ATOM 1132 O THR A 74 -5.818 4.158 -6.007 1.00 0.00 O ATOM 1133 CB THR A 74 -7.000 5.913 -3.912 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.963 6.664 -2.687 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.441 5.830 -4.414 1.00 0.00 C ATOM 0 H THR A 74 -4.396 5.162 -3.675 1.00 0.00 H new ATOM 0 HA THR A 74 -7.000 3.961 -2.959 1.00 0.00 H new ATOM 0 HB THR A 74 -6.398 6.415 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.343 7.555 -2.838 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.834 6.836 -4.560 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.466 5.289 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.052 5.305 -3.680 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.165 2.624 -5.055 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.286 1.779 -6.258 1.00 0.00 C ATOM 1145 C PHE A 75 -8.586 2.059 -7.024 1.00 0.00 C ATOM 1146 O PHE A 75 -9.588 2.457 -6.434 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.263 0.297 -5.870 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.945 -0.184 -5.331 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.535 0.153 -4.051 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.123 -0.990 -6.103 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.330 -0.300 -3.556 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.917 -1.444 -5.613 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.523 -1.100 -4.338 1.00 0.00 C ATOM 0 H PHE A 75 -7.693 2.278 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.439 2.018 -6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.035 0.118 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.523 -0.299 -6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.165 0.777 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.431 -1.266 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.019 -0.029 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.283 -2.067 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.581 -1.457 -3.950 1.00 0.00 H new ATOM 1163 N SER A 76 -8.565 1.830 -8.340 1.00 0.00 N ATOM 1164 CA SER A 76 -9.761 1.999 -9.182 1.00 0.00 C ATOM 1165 C SER A 76 -10.833 0.944 -8.862 1.00 0.00 C ATOM 1166 O SER A 76 -11.970 1.043 -9.324 1.00 0.00 O ATOM 1167 CB SER A 76 -9.388 1.898 -10.668 1.00 0.00 C ATOM 1168 OG SER A 76 -8.336 2.788 -11.001 1.00 0.00 O ATOM 0 H SER A 76 -7.735 1.527 -8.849 1.00 0.00 H new ATOM 0 HA SER A 76 -10.169 2.987 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.089 0.876 -10.900 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.262 2.121 -11.280 1.00 0.00 H new ATOM 0 HG SER A 76 -7.637 2.301 -11.486 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.462 -0.066 -8.074 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.366 -1.174 -7.755 1.00 0.00 C ATOM 1176 C ASP A 77 -11.255 -1.606 -6.282 1.00 0.00 C ATOM 1177 O ASP A 77 -10.265 -1.317 -5.607 1.00 0.00 O ATOM 1178 CB ASP A 77 -11.066 -2.362 -8.676 1.00 0.00 C ATOM 1179 CG ASP A 77 -12.011 -3.526 -8.442 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -13.229 -3.353 -8.649 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.549 -4.600 -8.013 1.00 0.00 O ATOM 0 H ASP A 77 -9.540 -0.140 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.387 -0.828 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.139 -2.041 -9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.040 -2.692 -8.516 1.00 0.00 H new ATOM 1186 N SER A 78 -12.279 -2.311 -5.801 1.00 0.00 N ATOM 1187 CA SER A 78 -12.335 -2.769 -4.406 1.00 0.00 C ATOM 1188 C SER A 78 -11.731 -4.172 -4.219 1.00 0.00 C ATOM 1189 O SER A 78 -11.090 -4.442 -3.205 1.00 0.00 O ATOM 1190 CB SER A 78 -13.786 -2.777 -3.905 1.00 0.00 C ATOM 1191 OG SER A 78 -14.367 -1.483 -3.967 1.00 0.00 O ATOM 0 H SER A 78 -13.089 -2.581 -6.359 1.00 0.00 H new ATOM 0 HA SER A 78 -11.738 -2.067 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.375 -3.470 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.815 -3.141 -2.878 1.00 0.00 H new ATOM 0 HG SER A 78 -15.291 -1.523 -3.643 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.938 -5.070 -5.186 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.453 -6.453 -5.061 1.00 0.00 C ATOM 1199 C GLU A 79 -9.952 -6.569 -5.379 1.00 0.00 C ATOM 1200 O GLU A 79 -9.226 -7.299 -4.701 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.277 -7.403 -5.943 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.721 -7.561 -5.475 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.473 -8.666 -6.199 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -14.266 -9.851 -5.861 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -15.291 -8.358 -7.090 1.00 0.00 O ATOM 0 H GLU A 79 -12.432 -4.871 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.584 -6.749 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.273 -7.031 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.798 -8.382 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.728 -7.768 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.248 -6.618 -5.620 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.487 -5.845 -6.399 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.050 -5.789 -6.716 1.00 0.00 C ATOM 1214 C CYS A 80 -7.246 -5.272 -5.512 1.00 0.00 C ATOM 1215 O CYS A 80 -6.179 -5.795 -5.181 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.798 -4.886 -7.931 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.658 -5.406 -9.437 1.00 0.00 S ATOM 0 H CYS A 80 -10.077 -5.291 -7.019 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.721 -6.801 -6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.105 -3.870 -7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.727 -4.856 -8.130 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.938 -5.240 -9.285 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.784 -4.250 -4.851 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.172 -3.689 -3.642 1.00 0.00 C ATOM 1225 C ALA A 81 -7.276 -4.670 -2.468 1.00 0.00 C ATOM 1226 O ALA A 81 -6.311 -4.900 -1.740 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.842 -2.367 -3.285 1.00 0.00 C ATOM 0 H ALA A 81 -8.649 -3.788 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.115 -3.512 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.382 -1.957 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.720 -1.663 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.904 -2.534 -3.105 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.463 -5.248 -2.302 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.711 -6.232 -1.246 1.00 0.00 C ATOM 1235 C LYS A 82 -7.746 -7.424 -1.352 1.00 0.00 C ATOM 1236 O LYS A 82 -7.315 -7.983 -0.339 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.166 -6.712 -1.325 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.588 -7.643 -0.192 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.070 -8.026 -0.276 1.00 0.00 C ATOM 1240 CE LYS A 82 -13.008 -6.845 -0.001 1.00 0.00 C ATOM 1241 NZ LYS A 82 -13.011 -5.830 -1.094 1.00 0.00 N ATOM 0 H LYS A 82 -9.274 -5.052 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.538 -5.755 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.823 -5.842 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.315 -7.226 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.979 -8.547 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.394 -7.159 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.281 -8.428 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.276 -8.821 0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.022 -7.220 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.713 -6.364 0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.986 -5.516 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.431 -5.014 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.618 -6.251 -1.960 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.395 -7.806 -2.581 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.432 -8.888 -2.786 1.00 0.00 C ATOM 1257 C LYS A 83 -4.999 -8.414 -2.491 1.00 0.00 C ATOM 1258 O LYS A 83 -4.185 -9.159 -1.941 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.510 -9.463 -4.204 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.777 -10.795 -4.311 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.691 -11.338 -5.730 1.00 0.00 C ATOM 1262 CE LYS A 83 -5.057 -12.726 -5.738 1.00 0.00 C ATOM 1263 NZ LYS A 83 -3.804 -12.771 -4.939 1.00 0.00 N ATOM 0 H LYS A 83 -7.757 -7.389 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.695 -9.681 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.554 -9.598 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.079 -8.752 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.768 -10.676 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.282 -11.528 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.688 -11.386 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.103 -10.660 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.767 -13.451 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.843 -13.021 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.284 -13.645 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.213 -11.948 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.037 -12.751 -3.926 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.688 -7.171 -2.861 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.405 -6.565 -2.490 1.00 0.00 C ATOM 1279 C ALA A 84 -3.215 -6.600 -0.967 1.00 0.00 C ATOM 1280 O ALA A 84 -2.104 -6.755 -0.461 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.325 -5.130 -3.005 1.00 0.00 C ATOM 0 H ALA A 84 -5.299 -6.568 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.604 -7.143 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.367 -4.695 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.417 -5.128 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.134 -4.542 -2.571 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.326 -6.478 -0.250 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.333 -6.550 1.208 1.00 0.00 C ATOM 1289 C LEU A 85 -3.937 -7.959 1.687 1.00 0.00 C ATOM 1290 O LEU A 85 -2.987 -8.115 2.454 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.735 -6.155 1.728 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.893 -5.969 3.256 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -7.153 -5.163 3.561 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.938 -7.312 3.990 1.00 0.00 C ATOM 0 H LEU A 85 -5.247 -6.327 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.597 -5.853 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.026 -5.224 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.443 -6.918 1.405 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.019 -5.424 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.253 -5.039 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.082 -4.184 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.025 -5.690 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.050 -7.138 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.783 -7.897 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.013 -7.859 3.806 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.653 -8.982 1.215 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.442 -10.359 1.693 1.00 0.00 C ATOM 1308 C GLU A 86 -3.045 -10.913 1.339 1.00 0.00 C ATOM 1309 O GLU A 86 -2.571 -11.869 1.960 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.562 -11.285 1.173 1.00 0.00 C ATOM 1311 CG GLU A 86 -5.659 -11.417 -0.354 1.00 0.00 C ATOM 1312 CD GLU A 86 -4.937 -12.636 -0.926 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -4.775 -13.637 -0.201 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -4.550 -12.610 -2.117 1.00 0.00 O ATOM 0 H GLU A 86 -5.381 -8.889 0.506 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.486 -10.330 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.414 -12.278 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.517 -10.917 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.711 -11.466 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.247 -10.517 -0.812 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.375 -10.309 0.360 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.013 -10.723 0.001 1.00 0.00 C ATOM 1323 C GLN A 87 0.049 -9.876 0.714 1.00 0.00 C ATOM 1324 O GLN A 87 1.004 -10.411 1.281 1.00 0.00 O ATOM 1325 CB GLN A 87 -0.807 -10.632 -1.518 1.00 0.00 C ATOM 1326 CG GLN A 87 -1.599 -11.666 -2.304 1.00 0.00 C ATOM 1327 CD GLN A 87 -1.125 -13.092 -2.067 1.00 0.00 C ATOM 1328 OE1 GLN A 87 0.056 -13.339 -1.842 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -2.044 -14.035 -2.092 1.00 0.00 N ATOM 0 H GLN A 87 -2.745 -9.538 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.896 -11.757 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.092 -9.635 -1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.253 -10.753 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.652 -11.590 -2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.527 -11.438 -3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.017 -13.794 -2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.783 -15.006 -1.921 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.131 -8.558 0.704 1.00 0.00 N ATOM 1339 CA LEU A 88 0.910 -7.632 1.163 1.00 0.00 C ATOM 1340 C LEU A 88 0.826 -7.316 2.665 1.00 0.00 C ATOM 1341 O LEU A 88 1.795 -6.826 3.247 1.00 0.00 O ATOM 1342 CB LEU A 88 0.843 -6.345 0.338 1.00 0.00 C ATOM 1343 CG LEU A 88 0.951 -6.560 -1.181 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.777 -5.249 -1.933 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.280 -7.224 -1.545 1.00 0.00 C ATOM 0 H LEU A 88 -0.986 -8.104 0.384 1.00 0.00 H new ATOM 0 HA LEU A 88 1.870 -8.126 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.096 -5.837 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.646 -5.681 0.657 1.00 0.00 H new ATOM 0 HG LEU A 88 0.145 -7.229 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.858 -5.431 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.203 -4.829 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.552 -4.547 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.332 -7.365 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.105 -6.589 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.351 -8.192 -1.048 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.314 -7.589 3.301 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.429 -7.385 4.751 1.00 0.00 C ATOM 1359 C ASN A 89 0.399 -8.439 5.502 1.00 0.00 C ATOM 1360 O ASN A 89 -0.078 -9.535 5.807 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.897 -7.418 5.198 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.088 -6.955 6.636 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.236 -7.156 7.493 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.205 -6.312 6.907 1.00 0.00 N ATOM 0 H ASN A 89 -1.156 -7.945 2.849 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.034 -6.398 4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.488 -6.785 4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.281 -8.433 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.379 -5.967 7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.897 -6.159 6.173 1.00 0.00 H new ATOM 1371 N GLY A 90 1.651 -8.095 5.782 1.00 0.00 N ATOM 1372 CA GLY A 90 2.598 -9.041 6.363 1.00 0.00 C ATOM 1373 C GLY A 90 3.841 -9.209 5.495 1.00 0.00 C ATOM 1374 O GLY A 90 4.853 -9.751 5.938 1.00 0.00 O ATOM 0 H GLY A 90 2.035 -7.165 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.892 -8.697 7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.112 -10.008 6.492 1.00 0.00 H new ATOM 1378 N PHE A 91 3.759 -8.732 4.251 1.00 0.00 N ATOM 1379 CA PHE A 91 4.885 -8.773 3.310 1.00 0.00 C ATOM 1380 C PHE A 91 6.073 -7.956 3.839 1.00 0.00 C ATOM 1381 O PHE A 91 5.958 -6.753 4.074 1.00 0.00 O ATOM 1382 CB PHE A 91 4.440 -8.234 1.940 1.00 0.00 C ATOM 1383 CG PHE A 91 5.536 -8.178 0.904 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.900 -9.312 0.191 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.199 -6.985 0.638 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.901 -9.258 -0.761 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.199 -6.929 -0.311 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.550 -8.065 -1.011 1.00 0.00 C ATOM 0 H PHE A 91 2.915 -8.308 3.867 1.00 0.00 H new ATOM 0 HA PHE A 91 5.207 -9.809 3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.632 -8.860 1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.031 -7.232 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.395 -10.247 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.928 -6.092 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.175 -10.148 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.707 -5.996 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.332 -8.021 -1.754 1.00 0.00 H new ATOM 1398 N GLU A 92 7.211 -8.614 4.026 1.00 0.00 N ATOM 1399 CA GLU A 92 8.398 -7.955 4.572 1.00 0.00 C ATOM 1400 C GLU A 92 9.129 -7.127 3.504 1.00 0.00 C ATOM 1401 O GLU A 92 9.953 -7.645 2.750 1.00 0.00 O ATOM 1402 CB GLU A 92 9.327 -9.006 5.198 1.00 0.00 C ATOM 1403 CG GLU A 92 8.659 -9.790 6.326 1.00 0.00 C ATOM 1404 CD GLU A 92 9.490 -10.963 6.816 1.00 0.00 C ATOM 1405 OE1 GLU A 92 9.525 -12.002 6.124 1.00 0.00 O ATOM 1406 OE2 GLU A 92 10.105 -10.859 7.900 1.00 0.00 O ATOM 0 H GLU A 92 7.340 -9.602 3.809 1.00 0.00 H new ATOM 0 HA GLU A 92 8.082 -7.256 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.656 -9.700 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.219 -8.512 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.465 -9.117 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.692 -10.157 5.981 1.00 0.00 H new ATOM 1413 N LEU A 93 8.800 -5.839 3.436 1.00 0.00 N ATOM 1414 CA LEU A 93 9.446 -4.909 2.503 1.00 0.00 C ATOM 1415 C LEU A 93 10.573 -4.150 3.215 1.00 0.00 C ATOM 1416 O LEU A 93 10.404 -3.702 4.351 1.00 0.00 O ATOM 1417 CB LEU A 93 8.418 -3.917 1.934 1.00 0.00 C ATOM 1418 CG LEU A 93 8.967 -2.940 0.878 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.464 -3.694 -0.354 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.909 -1.910 0.487 1.00 0.00 C ATOM 0 H LEU A 93 8.083 -5.409 4.021 1.00 0.00 H new ATOM 0 HA LEU A 93 9.869 -5.481 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.597 -4.482 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.999 -3.339 2.758 1.00 0.00 H new ATOM 0 HG LEU A 93 9.812 -2.410 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.847 -2.983 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.260 -4.380 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.640 -4.258 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.321 -1.231 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.039 -2.421 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.611 -1.342 1.368 1.00 0.00 H new ATOM 1432 N ALA A 94 11.727 -4.019 2.557 1.00 0.00 N ATOM 1433 CA ALA A 94 12.898 -3.375 3.168 1.00 0.00 C ATOM 1434 C ALA A 94 13.338 -4.118 4.446 1.00 0.00 C ATOM 1435 O ALA A 94 13.995 -3.548 5.324 1.00 0.00 O ATOM 1436 CB ALA A 94 12.593 -1.906 3.468 1.00 0.00 C ATOM 0 H ALA A 94 11.878 -4.348 1.604 1.00 0.00 H new ATOM 0 HA ALA A 94 13.725 -3.422 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.467 -1.438 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.344 -1.389 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.750 -1.843 4.156 1.00 0.00 H new ATOM 1442 N GLY A 95 12.987 -5.402 4.529 1.00 0.00 N ATOM 1443 CA GLY A 95 13.305 -6.207 5.705 1.00 0.00 C ATOM 1444 C GLY A 95 12.299 -6.046 6.845 1.00 0.00 C ATOM 1445 O GLY A 95 12.483 -6.619 7.921 1.00 0.00 O ATOM 0 H GLY A 95 12.484 -5.904 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.349 -7.257 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.297 -5.934 6.065 1.00 0.00 H new ATOM 1449 N ARG A 96 11.235 -5.273 6.618 1.00 0.00 N ATOM 1450 CA ARG A 96 10.204 -5.039 7.643 1.00 0.00 C ATOM 1451 C ARG A 96 8.815 -5.490 7.166 1.00 0.00 C ATOM 1452 O ARG A 96 8.429 -5.227 6.028 1.00 0.00 O ATOM 1453 CB ARG A 96 10.150 -3.550 8.026 1.00 0.00 C ATOM 1454 CG ARG A 96 11.355 -3.079 8.828 1.00 0.00 C ATOM 1455 CD ARG A 96 11.287 -1.587 9.150 1.00 0.00 C ATOM 1456 NE ARG A 96 10.090 -1.223 9.914 1.00 0.00 N ATOM 1457 CZ ARG A 96 9.977 -0.130 10.626 1.00 0.00 C ATOM 1458 NH1 ARG A 96 10.989 0.669 10.776 1.00 0.00 N ATOM 1459 NH2 ARG A 96 8.856 0.152 11.207 1.00 0.00 N ATOM 0 H ARG A 96 11.061 -4.796 5.734 1.00 0.00 H new ATOM 0 HA ARG A 96 10.479 -5.632 8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.074 -2.953 7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.245 -3.366 8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.416 -3.647 9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.266 -3.287 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.174 -1.302 9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.305 -1.018 8.220 1.00 0.00 H new ATOM 0 HE ARG A 96 9.295 -1.862 9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.883 0.448 10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.890 1.518 11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.059 -0.477 11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.769 1.004 11.761 1.00 0.00 H new ATOM 1473 N PRO A 97 8.040 -6.174 8.032 1.00 0.00 N ATOM 1474 CA PRO A 97 6.657 -6.575 7.711 1.00 0.00 C ATOM 1475 C PRO A 97 5.764 -5.359 7.412 1.00 0.00 C ATOM 1476 O PRO A 97 5.706 -4.410 8.196 1.00 0.00 O ATOM 1477 CB PRO A 97 6.185 -7.306 8.982 1.00 0.00 C ATOM 1478 CG PRO A 97 7.114 -6.845 10.058 1.00 0.00 C ATOM 1479 CD PRO A 97 8.436 -6.603 9.384 1.00 0.00 C ATOM 0 HA PRO A 97 6.604 -7.195 6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.151 -7.057 9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.232 -8.388 8.856 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.744 -5.935 10.530 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.207 -7.596 10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.017 -5.837 9.897 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.048 -7.504 9.359 1.00 0.00 H new ATOM 1487 N MET A 98 5.054 -5.398 6.289 1.00 0.00 N ATOM 1488 CA MET A 98 4.270 -4.248 5.839 1.00 0.00 C ATOM 1489 C MET A 98 2.794 -4.376 6.234 1.00 0.00 C ATOM 1490 O MET A 98 2.132 -5.361 5.912 1.00 0.00 O ATOM 1491 CB MET A 98 4.413 -4.082 4.318 1.00 0.00 C ATOM 1492 CG MET A 98 3.640 -2.902 3.744 1.00 0.00 C ATOM 1493 SD MET A 98 4.071 -2.551 2.028 1.00 0.00 S ATOM 1494 CE MET A 98 3.778 -4.140 1.253 1.00 0.00 C ATOM 0 H MET A 98 5.004 -6.210 5.674 1.00 0.00 H new ATOM 0 HA MET A 98 4.659 -3.359 6.335 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.469 -3.964 4.074 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.074 -4.996 3.830 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.571 -3.107 3.811 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.834 -2.017 4.351 1.00 0.00 H new ATOM 0 HE1 MET A 98 4.729 -4.647 1.092 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.147 -4.749 1.900 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.279 -3.991 0.295 1.00 0.00 H new ATOM 1504 N LYS A 99 2.287 -3.363 6.935 1.00 0.00 N ATOM 1505 CA LYS A 99 0.892 -3.356 7.392 1.00 0.00 C ATOM 1506 C LYS A 99 -0.034 -2.746 6.333 1.00 0.00 C ATOM 1507 O LYS A 99 -0.091 -1.528 6.170 1.00 0.00 O ATOM 1508 CB LYS A 99 0.759 -2.572 8.708 1.00 0.00 C ATOM 1509 CG LYS A 99 1.497 -3.196 9.889 1.00 0.00 C ATOM 1510 CD LYS A 99 1.319 -2.367 11.159 1.00 0.00 C ATOM 1511 CE LYS A 99 1.965 -3.031 12.369 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.386 -4.376 12.635 1.00 0.00 N ATOM 0 H LYS A 99 2.819 -2.534 7.201 1.00 0.00 H new ATOM 0 HA LYS A 99 0.594 -4.391 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.134 -1.560 8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.298 -2.485 8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.127 -4.207 10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.558 -3.280 9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.756 -1.379 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.256 -2.220 11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.038 -3.123 12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.831 -2.398 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.641 -4.680 13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.350 -4.331 12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.761 -5.058 11.945 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.741 -3.606 5.606 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.695 -3.169 4.582 1.00 0.00 C ATOM 1528 C VAL A 100 -3.127 -3.551 4.979 1.00 0.00 C ATOM 1529 O VAL A 100 -3.538 -4.699 4.818 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.370 -3.792 3.201 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.309 -3.256 2.120 1.00 0.00 C ATOM 1532 CG2 VAL A 100 0.087 -3.543 2.822 1.00 0.00 C ATOM 0 H VAL A 100 -0.673 -4.619 5.706 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.612 -2.085 4.507 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.524 -4.868 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.058 -3.710 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.339 -3.501 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.201 -2.174 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.291 -3.990 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.272 -2.470 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.740 -3.991 3.571 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.874 -2.597 5.518 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.242 -2.872 5.944 1.00 0.00 C ATOM 1544 C GLY A 101 -6.225 -1.788 5.528 1.00 0.00 C ATOM 1545 O GLY A 101 -5.827 -0.666 5.233 1.00 0.00 O ATOM 0 H GLY A 101 -3.563 -1.638 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.562 -3.825 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.264 -2.978 7.029 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.512 -2.119 5.503 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.547 -1.133 5.175 1.00 0.00 C ATOM 1551 C HIS A 102 -8.737 -0.142 6.335 1.00 0.00 C ATOM 1552 O HIS A 102 -8.503 -0.482 7.496 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.875 -1.821 4.817 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.322 -2.864 5.797 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -10.823 -2.571 7.047 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.358 -4.213 5.692 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.147 -3.689 7.663 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -10.875 -4.700 6.864 1.00 0.00 N ATOM 0 H HIS A 102 -7.866 -3.054 5.704 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.216 -0.575 4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.652 -1.061 4.735 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.776 -2.283 3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.038 -4.797 4.842 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -11.565 -3.764 8.656 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -11.025 -5.685 7.082 1.00 0.00 H new