USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 442 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 25 LYS NZ :NH3+ 167:sc= -1.69! (180deg=-1.79!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 27 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.48) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.089) USER MOD Single : A 44 SER OG : rot 180:sc= 0.145 USER MOD Single : A 58 MET CE :methyl -169:sc= -4.65! (180deg=-5.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 64 THR OG1 : rot 82:sc= 0.117 USER MOD Single : A 73 ASN : amide:sc= -0.0861 K(o=-0.086,f=-2) USER MOD Single : A 74 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.28) USER MOD Single : A 75 THR OG1 : rot -57:sc= 1.16 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -131:sc= -0.119 (180deg=-0.555) USER MOD Single : A 86 MET CE :methyl 173:sc= -1.55 (180deg=-1.83) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.223 3.528 1.531 1.00 0.00 N ATOM 351 CA LYS A 25 -3.962 4.213 1.270 1.00 0.00 C ATOM 352 C LYS A 25 -3.769 5.375 2.240 1.00 0.00 C ATOM 353 O LYS A 25 -2.642 5.780 2.523 1.00 0.00 O ATOM 354 CB LYS A 25 -3.927 4.722 -0.172 1.00 0.00 C ATOM 355 CG LYS A 25 -2.637 5.443 -0.533 1.00 0.00 C ATOM 356 CD LYS A 25 -2.909 6.784 -1.194 1.00 0.00 C ATOM 357 CE LYS A 25 -1.909 7.838 -0.748 1.00 0.00 C ATOM 358 NZ LYS A 25 -0.806 8.009 -1.732 1.00 0.00 N ATOM 0 HA LYS A 25 -3.148 3.502 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.064 3.879 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.767 5.398 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.041 5.595 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.047 4.819 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.863 6.673 -2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.919 7.113 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.422 8.790 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.492 7.557 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.273 8.874 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.169 7.188 -1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.204 8.084 -2.690 1.00 0.00 H new ATOM 372 N THR A 26 -4.879 5.909 2.747 1.00 0.00 N ATOM 373 CA THR A 26 -4.831 7.024 3.683 1.00 0.00 C ATOM 374 C THR A 26 -4.196 6.598 5.000 1.00 0.00 C ATOM 375 O THR A 26 -3.564 7.401 5.682 1.00 0.00 O ATOM 376 CB THR A 26 -6.225 7.604 3.918 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.207 6.857 3.221 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.347 9.047 3.474 1.00 0.00 C ATOM 0 H THR A 26 -5.820 5.586 2.524 1.00 0.00 H new ATOM 0 HA THR A 26 -4.211 7.805 3.242 1.00 0.00 H new ATOM 0 HB THR A 26 -6.384 7.551 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.092 7.245 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.359 9.403 3.666 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.636 9.660 4.028 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.134 9.119 2.407 1.00 0.00 H new ATOM 386 N GLN A 27 -4.341 5.324 5.344 1.00 0.00 N ATOM 387 CA GLN A 27 -3.746 4.806 6.569 1.00 0.00 C ATOM 388 C GLN A 27 -2.230 4.984 6.521 1.00 0.00 C ATOM 389 O GLN A 27 -1.565 5.050 7.554 1.00 0.00 O ATOM 390 CB GLN A 27 -4.098 3.328 6.754 1.00 0.00 C ATOM 391 CG GLN A 27 -4.071 2.872 8.203 1.00 0.00 C ATOM 392 CD GLN A 27 -4.102 1.362 8.339 1.00 0.00 C ATOM 393 OE1 GLN A 27 -5.125 0.781 8.699 1.00 0.00 O ATOM 394 NE2 GLN A 27 -2.976 0.718 8.051 1.00 0.00 N ATOM 0 H GLN A 27 -4.860 4.637 4.798 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.146 5.363 7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.091 3.146 6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.399 2.722 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.173 3.258 8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.924 3.298 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.151 1.240 7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.937 -0.299 8.125 1.00 0.00 H new ATOM 403 N LEU A 28 -1.699 5.066 5.302 1.00 0.00 N ATOM 404 CA LEU A 28 -0.269 5.244 5.085 1.00 0.00 C ATOM 405 C LEU A 28 0.112 6.716 5.067 1.00 0.00 C ATOM 406 O LEU A 28 1.288 7.077 5.097 1.00 0.00 O ATOM 407 CB LEU A 28 0.134 4.594 3.769 1.00 0.00 C ATOM 408 CG LEU A 28 1.641 4.531 3.505 1.00 0.00 C ATOM 409 CD1 LEU A 28 2.068 3.111 3.161 1.00 0.00 C ATOM 410 CD2 LEU A 28 2.032 5.490 2.392 1.00 0.00 C ATOM 0 H LEU A 28 -2.247 5.011 4.443 1.00 0.00 H new ATOM 0 HA LEU A 28 0.260 4.769 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.265 3.580 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.339 5.141 2.953 1.00 0.00 H new ATOM 0 HG LEU A 28 2.158 4.833 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.142 3.089 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.828 2.448 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.540 2.779 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.107 5.430 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.503 5.221 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.767 6.508 2.679 1.00 0.00 H new ATOM 422 N ILE A 29 -0.903 7.545 5.013 1.00 0.00 N ATOM 423 CA ILE A 29 -0.734 8.999 4.983 1.00 0.00 C ATOM 424 C ILE A 29 -0.129 9.523 6.264 1.00 0.00 C ATOM 425 O ILE A 29 0.338 10.661 6.347 1.00 0.00 O ATOM 426 CB ILE A 29 -2.076 9.699 4.736 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.628 9.310 3.369 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.941 11.213 4.862 1.00 0.00 C ATOM 429 CD1 ILE A 29 -1.991 10.036 2.212 1.00 0.00 C ATOM 0 H ILE A 29 -1.876 7.241 4.988 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.050 9.219 4.163 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.780 9.370 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.493 8.238 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.701 9.501 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.909 11.681 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.597 11.465 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.220 11.576 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.442 9.699 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.148 11.109 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.922 9.826 2.195 1.00 0.00 H new ATOM 441 N GLU A 30 -0.143 8.672 7.241 1.00 0.00 N ATOM 442 CA GLU A 30 0.401 8.978 8.559 1.00 0.00 C ATOM 443 C GLU A 30 1.920 8.909 8.567 1.00 0.00 C ATOM 444 O GLU A 30 2.563 9.101 9.599 1.00 0.00 O ATOM 445 CB GLU A 30 -0.185 8.046 9.621 1.00 0.00 C ATOM 446 CG GLU A 30 0.012 8.546 11.043 1.00 0.00 C ATOM 447 CD GLU A 30 0.265 7.420 12.026 1.00 0.00 C ATOM 448 OE1 GLU A 30 -0.526 6.453 12.038 1.00 0.00 O ATOM 449 OE2 GLU A 30 1.255 7.505 12.784 1.00 0.00 O ATOM 0 H GLU A 30 -0.532 7.732 7.162 1.00 0.00 H new ATOM 0 HA GLU A 30 0.114 10.001 8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.251 7.920 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.275 7.063 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.852 9.240 11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.871 9.104 11.354 1.00 0.00 H new ATOM 456 N ALA A 31 2.478 8.635 7.407 1.00 0.00 N ATOM 457 CA ALA A 31 3.923 8.535 7.247 1.00 0.00 C ATOM 458 C ALA A 31 4.520 9.867 6.806 1.00 0.00 C ATOM 459 O ALA A 31 5.661 10.188 7.136 1.00 0.00 O ATOM 460 CB ALA A 31 4.268 7.443 6.244 1.00 0.00 C ATOM 0 H ALA A 31 1.950 8.475 6.549 1.00 0.00 H new ATOM 0 HA ALA A 31 4.354 8.276 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.351 7.379 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.882 6.487 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.819 7.680 5.280 1.00 0.00 H new ATOM 466 N PHE A 32 3.738 10.640 6.058 1.00 0.00 N ATOM 467 CA PHE A 32 4.187 11.940 5.571 1.00 0.00 C ATOM 468 C PHE A 32 4.599 12.849 6.726 1.00 0.00 C ATOM 469 O PHE A 32 5.394 13.772 6.548 1.00 0.00 O ATOM 470 CB PHE A 32 3.083 12.609 4.751 1.00 0.00 C ATOM 471 CG PHE A 32 2.964 12.072 3.354 1.00 0.00 C ATOM 472 CD1 PHE A 32 3.994 12.242 2.443 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.822 11.399 2.951 1.00 0.00 C ATOM 474 CE1 PHE A 32 3.889 11.748 1.156 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.711 10.903 1.666 1.00 0.00 C ATOM 476 CZ PHE A 32 2.745 11.079 0.767 1.00 0.00 C ATOM 0 H PHE A 32 2.791 10.389 5.776 1.00 0.00 H new ATOM 0 HA PHE A 32 5.058 11.777 4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.130 12.478 5.264 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.275 13.681 4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.889 12.767 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.010 11.260 3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.700 11.885 0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.816 10.378 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.659 10.694 -0.238 1.00 0.00 H new ATOM 486 N TYR A 33 4.054 12.584 7.910 1.00 0.00 N ATOM 487 CA TYR A 33 4.368 13.380 9.091 1.00 0.00 C ATOM 488 C TYR A 33 5.453 12.710 9.930 1.00 0.00 C ATOM 489 O TYR A 33 5.487 12.859 11.150 1.00 0.00 O ATOM 490 CB TYR A 33 3.111 13.591 9.937 1.00 0.00 C ATOM 491 CG TYR A 33 1.894 13.982 9.128 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.141 13.022 8.464 1.00 0.00 C ATOM 493 CD2 TYR A 33 1.499 15.310 9.029 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.030 13.375 7.724 1.00 0.00 C ATOM 495 CE2 TYR A 33 0.388 15.671 8.291 1.00 0.00 C ATOM 496 CZ TYR A 33 -0.344 14.700 7.640 1.00 0.00 C ATOM 497 OH TYR A 33 -1.450 15.054 6.904 1.00 0.00 O ATOM 0 H TYR A 33 3.393 11.825 8.076 1.00 0.00 H new ATOM 0 HA TYR A 33 4.741 14.348 8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.894 12.674 10.484 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.308 14.365 10.678 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.429 11.983 8.528 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.070 16.073 9.537 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.544 12.616 7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.094 16.708 8.224 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.576 16.025 6.949 1.00 0.00 H new ATOM 507 N ASN A 34 6.338 11.973 9.265 1.00 0.00 N ATOM 508 CA ASN A 34 7.424 11.281 9.950 1.00 0.00 C ATOM 509 C ASN A 34 8.384 10.649 8.947 1.00 0.00 C ATOM 510 O ASN A 34 8.927 9.571 9.187 1.00 0.00 O ATOM 511 CB ASN A 34 6.863 10.207 10.884 1.00 0.00 C ATOM 512 CG ASN A 34 7.855 9.800 11.956 1.00 0.00 C ATOM 513 OD1 ASN A 34 8.160 8.620 12.121 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.362 10.781 12.695 1.00 0.00 N ATOM 0 H ASN A 34 6.324 11.840 8.254 1.00 0.00 H new ATOM 0 HA ASN A 34 7.974 12.014 10.540 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.954 10.579 11.356 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.583 9.331 10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.032 10.569 13.434 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.081 11.746 12.523 1.00 0.00 H new ATOM 612 N PHE A 42 15.306 6.408 -3.104 1.00 0.00 N ATOM 613 CA PHE A 42 15.419 4.973 -2.874 1.00 0.00 C ATOM 614 C PHE A 42 15.586 4.671 -1.388 1.00 0.00 C ATOM 615 O PHE A 42 16.505 5.175 -0.742 1.00 0.00 O ATOM 616 CB PHE A 42 16.600 4.399 -3.659 1.00 0.00 C ATOM 617 CG PHE A 42 16.345 4.298 -5.136 1.00 0.00 C ATOM 618 CD1 PHE A 42 16.494 5.405 -5.956 1.00 0.00 C ATOM 619 CD2 PHE A 42 15.957 3.096 -5.705 1.00 0.00 C ATOM 620 CE1 PHE A 42 16.260 5.315 -7.315 1.00 0.00 C ATOM 621 CE2 PHE A 42 15.721 2.999 -7.061 1.00 0.00 C ATOM 622 CZ PHE A 42 15.873 4.110 -7.868 1.00 0.00 C ATOM 0 HA PHE A 42 14.499 4.502 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.476 5.025 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.837 3.409 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 42 16.797 6.349 -5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 42 15.838 2.224 -5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 42 16.380 6.185 -7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 42 15.418 2.056 -7.491 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.689 4.036 -8.930 1.00 0.00 H new ATOM 632 N VAL A 43 14.693 3.844 -0.853 1.00 0.00 N ATOM 633 CA VAL A 43 14.744 3.472 0.556 1.00 0.00 C ATOM 634 C VAL A 43 14.992 1.977 0.718 1.00 0.00 C ATOM 635 O VAL A 43 14.231 1.153 0.211 1.00 0.00 O ATOM 636 CB VAL A 43 13.439 3.851 1.285 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.250 3.134 0.664 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.543 3.540 2.772 1.00 0.00 C ATOM 0 H VAL A 43 13.926 3.419 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 43 15.571 4.025 1.002 1.00 0.00 H new ATOM 0 HB VAL A 43 13.284 4.924 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.339 3.415 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.162 3.416 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.395 2.056 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.612 3.815 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.726 2.474 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.366 4.108 3.206 1.00 0.00 H new ATOM 648 N SER A 44 16.060 1.633 1.429 1.00 0.00 N ATOM 649 CA SER A 44 16.407 0.236 1.659 1.00 0.00 C ATOM 650 C SER A 44 15.474 -0.392 2.690 1.00 0.00 C ATOM 651 O SER A 44 14.914 0.300 3.539 1.00 0.00 O ATOM 652 CB SER A 44 17.859 0.119 2.127 1.00 0.00 C ATOM 653 OG SER A 44 18.316 1.342 2.680 1.00 0.00 O ATOM 0 H SER A 44 16.700 2.302 1.856 1.00 0.00 H new ATOM 0 HA SER A 44 16.293 -0.301 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.942 -0.674 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.494 -0.164 1.287 1.00 0.00 H new ATOM 0 HG SER A 44 19.246 1.241 2.973 1.00 0.00 H new ATOM 659 N VAL A 45 15.318 -1.709 2.611 1.00 0.00 N ATOM 660 CA VAL A 45 14.459 -2.435 3.538 1.00 0.00 C ATOM 661 C VAL A 45 14.919 -2.231 4.978 1.00 0.00 C ATOM 662 O VAL A 45 14.135 -1.840 5.843 1.00 0.00 O ATOM 663 CB VAL A 45 14.441 -3.945 3.229 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.506 -4.680 4.175 1.00 0.00 C ATOM 665 CG2 VAL A 45 14.042 -4.193 1.783 1.00 0.00 C ATOM 0 H VAL A 45 15.776 -2.296 1.914 1.00 0.00 H new ATOM 0 HA VAL A 45 13.452 -2.037 3.415 1.00 0.00 H new ATOM 0 HB VAL A 45 15.449 -4.332 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.510 -5.744 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.841 -4.536 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.495 -4.288 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.036 -5.265 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.047 -3.785 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.757 -3.707 1.120 1.00 0.00 H new ATOM 675 N GLU A 46 16.196 -2.501 5.225 1.00 0.00 N ATOM 676 CA GLU A 46 16.771 -2.350 6.560 1.00 0.00 C ATOM 677 C GLU A 46 16.414 -0.992 7.157 1.00 0.00 C ATOM 678 O GLU A 46 16.233 -0.861 8.367 1.00 0.00 O ATOM 679 CB GLU A 46 18.289 -2.517 6.505 1.00 0.00 C ATOM 680 CG GLU A 46 18.741 -3.708 5.676 1.00 0.00 C ATOM 681 CD GLU A 46 20.180 -4.097 5.949 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.970 -3.213 6.340 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.519 -5.286 5.770 1.00 0.00 O ATOM 0 H GLU A 46 16.855 -2.826 4.518 1.00 0.00 H new ATOM 0 HA GLU A 46 16.352 -3.126 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.731 -1.610 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.671 -2.626 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.093 -4.559 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.627 -3.473 4.618 1.00 0.00 H new ATOM 690 N GLU A 47 16.305 0.014 6.294 1.00 0.00 N ATOM 691 CA GLU A 47 15.959 1.360 6.731 1.00 0.00 C ATOM 692 C GLU A 47 14.444 1.525 6.803 1.00 0.00 C ATOM 693 O GLU A 47 13.931 2.309 7.602 1.00 0.00 O ATOM 694 CB GLU A 47 16.550 2.398 5.775 1.00 0.00 C ATOM 695 CG GLU A 47 16.827 3.742 6.430 1.00 0.00 C ATOM 696 CD GLU A 47 17.022 4.854 5.418 1.00 0.00 C ATOM 697 OE1 GLU A 47 16.568 4.693 4.266 1.00 0.00 O ATOM 698 OE2 GLU A 47 17.626 5.885 5.779 1.00 0.00 O ATOM 0 H GLU A 47 16.451 -0.079 5.289 1.00 0.00 H new ATOM 0 HA GLU A 47 16.377 1.516 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.479 2.008 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.863 2.544 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.999 3.998 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.718 3.662 7.053 1.00 0.00 H new ATOM 705 N PHE A 48 13.736 0.776 5.964 1.00 0.00 N ATOM 706 CA PHE A 48 12.281 0.829 5.926 1.00 0.00 C ATOM 707 C PHE A 48 11.682 0.227 7.194 1.00 0.00 C ATOM 708 O PHE A 48 10.727 0.761 7.756 1.00 0.00 O ATOM 709 CB PHE A 48 11.760 0.083 4.695 1.00 0.00 C ATOM 710 CG PHE A 48 10.777 0.874 3.879 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.799 1.639 4.494 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.830 0.850 2.495 1.00 0.00 C ATOM 713 CE1 PHE A 48 8.893 2.365 3.745 1.00 0.00 C ATOM 714 CE2 PHE A 48 9.928 1.573 1.740 1.00 0.00 C ATOM 715 CZ PHE A 48 8.958 2.333 2.366 1.00 0.00 C ATOM 0 H PHE A 48 14.150 0.123 5.299 1.00 0.00 H new ATOM 0 HA PHE A 48 11.978 1.874 5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.605 -0.192 4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.288 -0.845 5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.744 1.668 5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.586 0.258 2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.135 2.957 4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.980 1.545 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.252 2.901 1.778 1.00 0.00 H new ATOM 725 N ARG A 49 12.251 -0.890 7.637 1.00 0.00 N ATOM 726 CA ARG A 49 11.774 -1.567 8.838 1.00 0.00 C ATOM 727 C ARG A 49 11.786 -0.624 10.037 1.00 0.00 C ATOM 728 O ARG A 49 10.779 -0.468 10.726 1.00 0.00 O ATOM 729 CB ARG A 49 12.636 -2.796 9.135 1.00 0.00 C ATOM 730 CG ARG A 49 12.718 -3.778 7.977 1.00 0.00 C ATOM 731 CD ARG A 49 14.013 -4.573 8.012 1.00 0.00 C ATOM 732 NE ARG A 49 13.831 -5.889 8.617 1.00 0.00 N ATOM 733 CZ ARG A 49 14.822 -6.758 8.812 1.00 0.00 C ATOM 734 NH1 ARG A 49 16.062 -6.455 8.450 1.00 0.00 N ATOM 735 NH2 ARG A 49 14.570 -7.935 9.369 1.00 0.00 N ATOM 0 H ARG A 49 13.043 -1.345 7.183 1.00 0.00 H new ATOM 0 HA ARG A 49 10.747 -1.886 8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.643 -2.469 9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.233 -3.310 10.008 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.869 -4.461 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.648 -3.237 7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.394 -4.690 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.765 -4.017 8.573 1.00 0.00 H new ATOM 0 HE ARG A 49 12.891 -6.159 8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.261 -5.552 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.816 -7.125 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.618 -8.174 9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.328 -8.601 9.519 1.00 0.00 H new ATOM 749 N GLY A 50 12.932 0.007 10.276 1.00 0.00 N ATOM 750 CA GLY A 50 13.053 0.930 11.390 1.00 0.00 C ATOM 751 C GLY A 50 11.983 2.006 11.366 1.00 0.00 C ATOM 752 O GLY A 50 11.634 2.567 12.405 1.00 0.00 O ATOM 0 H GLY A 50 13.779 -0.105 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.987 0.376 12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.037 1.399 11.365 1.00 0.00 H new ATOM 756 N ILE A 51 11.461 2.291 10.178 1.00 0.00 N ATOM 757 CA ILE A 51 10.423 3.300 10.020 1.00 0.00 C ATOM 758 C ILE A 51 9.036 2.682 10.165 1.00 0.00 C ATOM 759 O ILE A 51 8.181 3.210 10.875 1.00 0.00 O ATOM 760 CB ILE A 51 10.523 3.999 8.648 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.948 4.502 8.410 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.529 5.146 8.562 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.312 4.613 6.947 1.00 0.00 C ATOM 0 H ILE A 51 11.741 1.836 9.309 1.00 0.00 H new ATOM 0 HA ILE A 51 10.574 4.040 10.806 1.00 0.00 H new ATOM 0 HB ILE A 51 10.279 3.275 7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.063 5.479 8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.650 3.827 8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.613 5.628 7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.517 4.761 8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.743 5.872 9.346 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.336 4.975 6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.229 3.633 6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.634 5.310 6.455 1.00 0.00 H new ATOM 775 N ILE A 52 8.822 1.560 9.485 1.00 0.00 N ATOM 776 CA ILE A 52 7.540 0.867 9.537 1.00 0.00 C ATOM 777 C ILE A 52 7.268 0.312 10.933 1.00 0.00 C ATOM 778 O ILE A 52 6.115 0.161 11.337 1.00 0.00 O ATOM 779 CB ILE A 52 7.485 -0.286 8.512 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.686 0.256 7.097 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.162 -1.033 8.614 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.559 1.148 6.626 1.00 0.00 C ATOM 0 H ILE A 52 9.520 1.112 8.892 1.00 0.00 H new ATOM 0 HA ILE A 52 6.772 1.600 9.289 1.00 0.00 H new ATOM 0 HB ILE A 52 8.290 -0.987 8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.621 0.815 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.788 -0.582 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.143 -1.842 7.883 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.054 -1.447 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.340 -0.346 8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.769 1.496 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.625 0.587 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.470 2.005 7.293 1.00 0.00 H new ATOM 794 N ARG A 53 8.336 0.006 11.666 1.00 0.00 N ATOM 795 CA ARG A 53 8.210 -0.535 13.015 1.00 0.00 C ATOM 796 C ARG A 53 7.274 0.322 13.865 1.00 0.00 C ATOM 797 O ARG A 53 6.237 -0.147 14.331 1.00 0.00 O ATOM 798 CB ARG A 53 9.582 -0.624 13.682 1.00 0.00 C ATOM 799 CG ARG A 53 9.751 -1.848 14.568 1.00 0.00 C ATOM 800 CD ARG A 53 11.174 -2.382 14.517 1.00 0.00 C ATOM 801 NE ARG A 53 11.212 -3.842 14.522 1.00 0.00 N ATOM 802 CZ ARG A 53 10.942 -4.594 13.458 1.00 0.00 C ATOM 803 NH1 ARG A 53 10.615 -4.028 12.303 1.00 0.00 N ATOM 804 NH2 ARG A 53 11.001 -5.915 13.549 1.00 0.00 N ATOM 0 H ARG A 53 9.298 0.124 11.348 1.00 0.00 H new ATOM 0 HA ARG A 53 7.785 -1.536 12.937 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.352 -0.636 12.910 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.744 0.272 14.281 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.494 -1.592 15.596 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.058 -2.627 14.250 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.669 -2.010 13.620 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.734 -2.002 15.371 1.00 0.00 H new ATOM 0 HE ARG A 53 11.460 -4.313 15.392 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.570 -3.012 12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.409 -4.609 11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.253 -6.354 14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.794 -6.492 12.734 1.00 0.00 H new ATOM 818 N ASP A 54 7.650 1.582 14.058 1.00 0.00 N ATOM 819 CA ASP A 54 6.846 2.506 14.850 1.00 0.00 C ATOM 820 C ASP A 54 6.240 3.604 13.975 1.00 0.00 C ATOM 821 O ASP A 54 5.767 4.621 14.485 1.00 0.00 O ATOM 822 CB ASP A 54 7.697 3.135 15.955 1.00 0.00 C ATOM 823 CG ASP A 54 6.858 3.673 17.097 1.00 0.00 C ATOM 824 OD1 ASP A 54 5.652 3.918 16.882 1.00 0.00 O ATOM 825 OD2 ASP A 54 7.405 3.851 18.204 1.00 0.00 O ATOM 0 H ASP A 54 8.506 1.986 13.677 1.00 0.00 H new ATOM 0 HA ASP A 54 6.032 1.938 15.300 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.395 2.391 16.340 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.294 3.944 15.534 1.00 0.00 H new ATOM 830 N GLY A 55 6.256 3.398 12.661 1.00 0.00 N ATOM 831 CA GLY A 55 5.707 4.388 11.752 1.00 0.00 C ATOM 832 C GLY A 55 4.289 4.065 11.327 1.00 0.00 C ATOM 833 O GLY A 55 3.328 4.545 11.929 1.00 0.00 O ATOM 0 H GLY A 55 6.638 2.566 12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.725 5.366 12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.341 4.455 10.868 1.00 0.00 H new ATOM 837 N LEU A 56 4.156 3.254 10.283 1.00 0.00 N ATOM 838 CA LEU A 56 2.843 2.872 9.775 1.00 0.00 C ATOM 839 C LEU A 56 2.459 1.470 10.245 1.00 0.00 C ATOM 840 O LEU A 56 3.306 0.580 10.325 1.00 0.00 O ATOM 841 CB LEU A 56 2.832 2.928 8.245 1.00 0.00 C ATOM 842 CG LEU A 56 3.376 4.223 7.642 1.00 0.00 C ATOM 843 CD1 LEU A 56 3.725 4.024 6.175 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.366 5.350 7.804 1.00 0.00 C ATOM 0 H LEU A 56 4.940 2.849 9.772 1.00 0.00 H new ATOM 0 HA LEU A 56 2.111 3.578 10.167 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.418 2.092 7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.808 2.785 7.899 1.00 0.00 H new ATOM 0 HG LEU A 56 4.286 4.497 8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.111 4.957 5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.483 3.246 6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.832 3.727 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.769 6.265 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.439 5.084 7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.165 5.509 8.863 1.00 0.00 H new ATOM 856 N PRO A 57 1.171 1.254 10.563 1.00 0.00 N ATOM 857 CA PRO A 57 0.681 -0.047 11.024 1.00 0.00 C ATOM 858 C PRO A 57 0.536 -1.047 9.885 1.00 0.00 C ATOM 859 O PRO A 57 -0.300 -0.879 8.999 1.00 0.00 O ATOM 860 CB PRO A 57 -0.685 0.288 11.620 1.00 0.00 C ATOM 861 CG PRO A 57 -1.149 1.475 10.847 1.00 0.00 C ATOM 862 CD PRO A 57 0.090 2.258 10.498 1.00 0.00 C ATOM 0 HA PRO A 57 1.366 -0.519 11.728 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.378 -0.547 11.518 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.610 0.512 12.684 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.683 1.169 9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.838 2.079 11.437 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.016 2.702 9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.259 3.074 11.201 1.00 0.00 H new ATOM 870 N MET A 58 1.358 -2.088 9.919 1.00 0.00 N ATOM 871 CA MET A 58 1.326 -3.119 8.891 1.00 0.00 C ATOM 872 C MET A 58 1.803 -4.455 9.449 1.00 0.00 C ATOM 873 O MET A 58 2.778 -4.515 10.197 1.00 0.00 O ATOM 874 CB MET A 58 2.197 -2.705 7.700 1.00 0.00 C ATOM 875 CG MET A 58 1.430 -2.601 6.392 1.00 0.00 C ATOM 876 SD MET A 58 2.374 -1.773 5.096 1.00 0.00 S ATOM 877 CE MET A 58 2.935 -3.176 4.132 1.00 0.00 C ATOM 0 H MET A 58 2.055 -2.240 10.648 1.00 0.00 H new ATOM 0 HA MET A 58 0.296 -3.235 8.555 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.661 -1.743 7.917 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.004 -3.428 7.582 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.157 -3.601 6.055 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.501 -2.058 6.563 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.687 -2.847 3.414 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.370 -3.923 4.796 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.090 -3.612 3.599 1.00 0.00 H new ATOM 887 N THR A 59 1.112 -5.523 9.074 1.00 0.00 N ATOM 888 CA THR A 59 1.467 -6.864 9.531 1.00 0.00 C ATOM 889 C THR A 59 2.668 -7.397 8.756 1.00 0.00 C ATOM 890 O THR A 59 2.845 -7.086 7.579 1.00 0.00 O ATOM 891 CB THR A 59 0.277 -7.815 9.369 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.657 -7.295 8.439 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.461 -8.075 10.664 1.00 0.00 C ATOM 0 H THR A 59 0.302 -5.489 8.455 1.00 0.00 H new ATOM 0 HA THR A 59 1.732 -6.805 10.587 1.00 0.00 H new ATOM 0 HB THR A 59 0.703 -8.755 9.017 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.409 -7.917 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.292 -8.756 10.479 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.220 -8.522 11.388 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.844 -7.134 11.060 1.00 0.00 H new ATOM 901 N GLU A 60 3.490 -8.209 9.422 1.00 0.00 N ATOM 902 CA GLU A 60 4.680 -8.796 8.801 1.00 0.00 C ATOM 903 C GLU A 60 4.397 -9.196 7.362 1.00 0.00 C ATOM 904 O GLU A 60 5.120 -8.822 6.446 1.00 0.00 O ATOM 905 CB GLU A 60 5.135 -10.026 9.586 1.00 0.00 C ATOM 906 CG GLU A 60 3.994 -10.928 10.034 1.00 0.00 C ATOM 907 CD GLU A 60 4.411 -11.898 11.123 1.00 0.00 C ATOM 908 OE1 GLU A 60 4.445 -11.486 12.301 1.00 0.00 O ATOM 909 OE2 GLU A 60 4.703 -13.067 10.798 1.00 0.00 O ATOM 0 H GLU A 60 3.353 -8.477 10.397 1.00 0.00 H new ATOM 0 HA GLU A 60 5.469 -8.044 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.822 -10.605 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.693 -9.699 10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.170 -10.313 10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.621 -11.488 9.177 1.00 0.00 H new ATOM 916 N ALA A 61 3.331 -9.954 7.181 1.00 0.00 N ATOM 917 CA ALA A 61 2.922 -10.412 5.863 1.00 0.00 C ATOM 918 C ALA A 61 2.940 -9.271 4.856 1.00 0.00 C ATOM 919 O ALA A 61 3.573 -9.369 3.810 1.00 0.00 O ATOM 920 CB ALA A 61 1.540 -11.038 5.937 1.00 0.00 C ATOM 0 H ALA A 61 2.726 -10.269 7.939 1.00 0.00 H new ATOM 0 HA ALA A 61 3.634 -11.165 5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.241 -11.378 4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.561 -11.886 6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.825 -10.299 6.298 1.00 0.00 H new ATOM 926 N GLU A 62 2.253 -8.181 5.177 1.00 0.00 N ATOM 927 CA GLU A 62 2.215 -7.024 4.284 1.00 0.00 C ATOM 928 C GLU A 62 3.630 -6.568 3.962 1.00 0.00 C ATOM 929 O GLU A 62 4.053 -6.586 2.808 1.00 0.00 O ATOM 930 CB GLU A 62 1.433 -5.854 4.901 1.00 0.00 C ATOM 931 CG GLU A 62 0.419 -6.258 5.955 1.00 0.00 C ATOM 932 CD GLU A 62 -0.507 -7.365 5.486 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.417 -7.075 4.680 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.323 -8.520 5.922 1.00 0.00 O ATOM 0 H GLU A 62 1.719 -8.072 6.039 1.00 0.00 H new ATOM 0 HA GLU A 62 1.705 -7.332 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.141 -5.155 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.916 -5.319 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.945 -6.586 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.175 -5.388 6.234 1.00 0.00 H new ATOM 941 N ILE A 63 4.357 -6.166 4.999 1.00 0.00 N ATOM 942 CA ILE A 63 5.737 -5.705 4.838 1.00 0.00 C ATOM 943 C ILE A 63 6.609 -6.785 4.212 1.00 0.00 C ATOM 944 O ILE A 63 7.162 -6.601 3.130 1.00 0.00 O ATOM 945 CB ILE A 63 6.366 -5.296 6.184 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.365 -4.527 7.041 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.618 -4.464 5.950 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.779 -5.363 8.149 1.00 0.00 C ATOM 0 H ILE A 63 4.017 -6.149 5.960 1.00 0.00 H new ATOM 0 HA ILE A 63 5.693 -4.836 4.182 1.00 0.00 H new ATOM 0 HB ILE A 63 6.644 -6.203 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.857 -3.655 7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.560 -4.157 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.052 -4.182 6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.342 -5.048 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.358 -3.565 5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.074 -4.762 8.724 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.260 -6.221 7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.578 -5.711 8.804 1.00 0.00 H new ATOM 960 N THR A 64 6.726 -7.910 4.905 1.00 0.00 N ATOM 961 CA THR A 64 7.530 -9.033 4.438 1.00 0.00 C ATOM 962 C THR A 64 7.158 -9.428 3.016 1.00 0.00 C ATOM 963 O THR A 64 8.023 -9.538 2.146 1.00 0.00 O ATOM 964 CB THR A 64 7.333 -10.228 5.364 1.00 0.00 C ATOM 965 OG1 THR A 64 7.804 -9.940 6.667 1.00 0.00 O ATOM 966 CG2 THR A 64 8.028 -11.484 4.885 1.00 0.00 C ATOM 0 H THR A 64 6.269 -8.070 5.803 1.00 0.00 H new ATOM 0 HA THR A 64 8.575 -8.724 4.445 1.00 0.00 H new ATOM 0 HB THR A 64 6.259 -10.412 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.119 -9.442 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.845 -12.293 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.640 -11.763 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.100 -11.301 4.812 1.00 0.00 H new ATOM 974 N GLU A 65 5.866 -9.637 2.781 1.00 0.00 N ATOM 975 CA GLU A 65 5.398 -10.016 1.452 1.00 0.00 C ATOM 976 C GLU A 65 5.631 -8.893 0.469 1.00 0.00 C ATOM 977 O GLU A 65 5.594 -9.079 -0.747 1.00 0.00 O ATOM 978 CB GLU A 65 3.921 -10.397 1.475 1.00 0.00 C ATOM 979 CG GLU A 65 3.457 -11.121 0.219 1.00 0.00 C ATOM 980 CD GLU A 65 1.993 -10.878 -0.086 1.00 0.00 C ATOM 981 OE1 GLU A 65 1.652 -9.746 -0.490 1.00 0.00 O ATOM 982 OE2 GLU A 65 1.188 -11.817 0.076 1.00 0.00 O ATOM 0 H GLU A 65 5.132 -9.552 3.484 1.00 0.00 H new ATOM 0 HA GLU A 65 5.969 -10.888 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.732 -11.032 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.324 -9.494 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.060 -10.794 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.627 -12.191 0.337 1.00 0.00 H new ATOM 989 N PHE A 66 5.886 -7.732 1.022 1.00 0.00 N ATOM 990 CA PHE A 66 6.151 -6.548 0.230 1.00 0.00 C ATOM 991 C PHE A 66 7.655 -6.343 0.070 1.00 0.00 C ATOM 992 O PHE A 66 8.110 -5.730 -0.894 1.00 0.00 O ATOM 993 CB PHE A 66 5.519 -5.309 0.870 1.00 0.00 C ATOM 994 CG PHE A 66 4.073 -5.105 0.505 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.248 -6.188 0.240 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.540 -3.829 0.428 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.920 -6.000 -0.096 1.00 0.00 C ATOM 998 CE2 PHE A 66 2.213 -3.635 0.093 1.00 0.00 C ATOM 999 CZ PHE A 66 1.402 -4.722 -0.168 1.00 0.00 C ATOM 0 H PHE A 66 5.916 -7.578 2.030 1.00 0.00 H new ATOM 0 HA PHE A 66 5.705 -6.693 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.602 -5.389 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.087 -4.428 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.648 -7.190 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.169 -2.975 0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.289 -6.852 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.811 -2.634 0.035 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.364 -4.573 -0.428 1.00 0.00 H new ATOM 1009 N PHE A 67 8.423 -6.867 1.025 1.00 0.00 N ATOM 1010 CA PHE A 67 9.876 -6.744 0.992 1.00 0.00 C ATOM 1011 C PHE A 67 10.482 -7.755 0.024 1.00 0.00 C ATOM 1012 O PHE A 67 11.562 -7.533 -0.523 1.00 0.00 O ATOM 1013 CB PHE A 67 10.455 -6.947 2.396 1.00 0.00 C ATOM 1014 CG PHE A 67 10.410 -5.725 3.278 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.231 -4.453 2.747 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.551 -5.854 4.651 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.194 -3.342 3.569 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.515 -4.746 5.476 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.336 -3.489 4.934 1.00 0.00 C ATOM 0 H PHE A 67 8.062 -7.380 1.829 1.00 0.00 H new ATOM 0 HA PHE A 67 10.128 -5.742 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.909 -7.753 2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.491 -7.274 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.120 -4.331 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.691 -6.834 5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.054 -2.359 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.627 -4.863 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.307 -2.622 5.577 1.00 0.00 H new ATOM 1029 N GLU A 68 9.780 -8.865 -0.185 1.00 0.00 N ATOM 1030 CA GLU A 68 10.249 -9.907 -1.089 1.00 0.00 C ATOM 1031 C GLU A 68 9.718 -9.682 -2.501 1.00 0.00 C ATOM 1032 O GLU A 68 10.340 -10.091 -3.482 1.00 0.00 O ATOM 1033 CB GLU A 68 9.816 -11.284 -0.582 1.00 0.00 C ATOM 1034 CG GLU A 68 10.122 -11.516 0.888 1.00 0.00 C ATOM 1035 CD GLU A 68 10.598 -12.928 1.170 1.00 0.00 C ATOM 1036 OE1 GLU A 68 9.840 -13.879 0.880 1.00 0.00 O ATOM 1037 OE2 GLU A 68 11.727 -13.084 1.678 1.00 0.00 O ATOM 0 H GLU A 68 8.884 -9.065 0.260 1.00 0.00 H new ATOM 0 HA GLU A 68 11.338 -9.864 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.744 -11.401 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.314 -12.052 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.885 -10.808 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.228 -11.314 1.478 1.00 0.00 H new ATOM 1044 N ALA A 69 8.564 -9.029 -2.599 1.00 0.00 N ATOM 1045 CA ALA A 69 7.949 -8.751 -3.893 1.00 0.00 C ATOM 1046 C ALA A 69 8.416 -7.426 -4.465 1.00 0.00 C ATOM 1047 O ALA A 69 8.176 -7.108 -5.631 1.00 0.00 O ATOM 1048 CB ALA A 69 6.440 -8.760 -3.766 1.00 0.00 C ATOM 0 H ALA A 69 8.036 -8.682 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 69 8.259 -9.537 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.992 -8.551 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.110 -9.738 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.130 -7.997 -3.052 1.00 0.00 H new ATOM 1054 N ALA A 70 9.084 -6.669 -3.630 1.00 0.00 N ATOM 1055 CA ALA A 70 9.608 -5.363 -4.013 1.00 0.00 C ATOM 1056 C ALA A 70 11.027 -5.482 -4.561 1.00 0.00 C ATOM 1057 O ALA A 70 11.455 -4.673 -5.383 1.00 0.00 O ATOM 1058 CB ALA A 70 9.576 -4.411 -2.826 1.00 0.00 C ATOM 0 H ALA A 70 9.284 -6.932 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 70 8.973 -4.961 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.970 -3.440 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.549 -4.294 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.186 -4.816 -2.019 1.00 0.00 H new ATOM 1064 N ASP A 71 11.751 -6.496 -4.098 1.00 0.00 N ATOM 1065 CA ASP A 71 13.123 -6.721 -4.543 1.00 0.00 C ATOM 1066 C ASP A 71 13.301 -8.151 -5.055 1.00 0.00 C ATOM 1067 O ASP A 71 13.104 -9.111 -4.309 1.00 0.00 O ATOM 1068 CB ASP A 71 14.101 -6.454 -3.397 1.00 0.00 C ATOM 1069 CG ASP A 71 15.407 -5.855 -3.881 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.396 -4.690 -4.328 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.440 -6.552 -3.812 1.00 0.00 O ATOM 0 H ASP A 71 11.412 -7.174 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 71 13.333 -6.031 -5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.638 -5.778 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.305 -7.387 -2.872 1.00 0.00 H new ATOM 1076 N PRO A 72 13.674 -8.317 -6.338 1.00 0.00 N ATOM 1077 CA PRO A 72 13.874 -9.644 -6.933 1.00 0.00 C ATOM 1078 C PRO A 72 15.042 -10.390 -6.298 1.00 0.00 C ATOM 1079 O PRO A 72 15.004 -11.611 -6.150 1.00 0.00 O ATOM 1080 CB PRO A 72 14.172 -9.339 -8.405 1.00 0.00 C ATOM 1081 CG PRO A 72 14.662 -7.933 -8.416 1.00 0.00 C ATOM 1082 CD PRO A 72 13.932 -7.234 -7.305 1.00 0.00 C ATOM 0 HA PRO A 72 13.007 -10.289 -6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.922 -10.021 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.279 -9.450 -9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.740 -7.894 -8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.461 -7.457 -9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.533 -6.438 -6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.006 -6.778 -7.656 1.00 0.00 H new ATOM 1090 N ASN A 73 16.076 -9.646 -5.921 1.00 0.00 N ATOM 1091 CA ASN A 73 17.255 -10.236 -5.298 1.00 0.00 C ATOM 1092 C ASN A 73 17.029 -10.457 -3.807 1.00 0.00 C ATOM 1093 O ASN A 73 17.577 -11.386 -3.215 1.00 0.00 O ATOM 1094 CB ASN A 73 18.476 -9.338 -5.513 1.00 0.00 C ATOM 1095 CG ASN A 73 18.832 -9.186 -6.978 1.00 0.00 C ATOM 1096 OD1 ASN A 73 18.124 -9.681 -7.855 1.00 0.00 O ATOM 1097 ND2 ASN A 73 19.936 -8.500 -7.251 1.00 0.00 N ATOM 0 H ASN A 73 16.122 -8.634 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 73 17.437 -11.203 -5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.280 -8.355 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.328 -9.754 -4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 73 20.227 -8.366 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 73 20.493 -8.107 -6.492 1.00 0.00 H new ATOM 1104 N ASN A 74 16.223 -9.588 -3.203 1.00 0.00 N ATOM 1105 CA ASN A 74 15.925 -9.672 -1.779 1.00 0.00 C ATOM 1106 C ASN A 74 17.138 -9.254 -0.964 1.00 0.00 C ATOM 1107 O ASN A 74 17.431 -9.833 0.081 1.00 0.00 O ATOM 1108 CB ASN A 74 15.496 -11.087 -1.388 1.00 0.00 C ATOM 1109 CG ASN A 74 14.491 -11.678 -2.358 1.00 0.00 C ATOM 1110 OD1 ASN A 74 14.779 -12.651 -3.053 1.00 0.00 O ATOM 1111 ND2 ASN A 74 13.302 -11.088 -2.408 1.00 0.00 N ATOM 0 H ASN A 74 15.763 -8.814 -3.682 1.00 0.00 H new ATOM 0 HA ASN A 74 15.099 -8.994 -1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.375 -11.730 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.063 -11.069 -0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.584 -11.440 -3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.107 -10.283 -1.813 1.00 0.00 H new ATOM 1118 N THR A 75 17.838 -8.240 -1.454 1.00 0.00 N ATOM 1119 CA THR A 75 19.022 -7.735 -0.777 1.00 0.00 C ATOM 1120 C THR A 75 18.645 -6.643 0.220 1.00 0.00 C ATOM 1121 O THR A 75 19.320 -5.619 0.324 1.00 0.00 O ATOM 1122 CB THR A 75 20.027 -7.198 -1.800 1.00 0.00 C ATOM 1123 OG1 THR A 75 21.051 -6.456 -1.161 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.398 -6.307 -2.850 1.00 0.00 C ATOM 0 H THR A 75 17.605 -7.751 -2.319 1.00 0.00 H new ATOM 0 HA THR A 75 19.484 -8.556 -0.229 1.00 0.00 H new ATOM 0 HB THR A 75 20.432 -8.081 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.652 -5.726 -0.644 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.166 -5.962 -3.542 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.642 -6.869 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.933 -5.448 -2.367 1.00 0.00 H new ATOM 1132 N GLY A 76 17.559 -6.871 0.952 1.00 0.00 N ATOM 1133 CA GLY A 76 17.102 -5.904 1.930 1.00 0.00 C ATOM 1134 C GLY A 76 16.983 -4.505 1.357 1.00 0.00 C ATOM 1135 O GLY A 76 17.069 -3.518 2.088 1.00 0.00 O ATOM 0 H GLY A 76 16.986 -7.712 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.133 -6.217 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.794 -5.890 2.772 1.00 0.00 H new ATOM 1139 N PHE A 77 16.787 -4.419 0.044 1.00 0.00 N ATOM 1140 CA PHE A 77 16.655 -3.131 -0.623 1.00 0.00 C ATOM 1141 C PHE A 77 15.333 -3.046 -1.379 1.00 0.00 C ATOM 1142 O PHE A 77 14.836 -4.048 -1.894 1.00 0.00 O ATOM 1143 CB PHE A 77 17.824 -2.908 -1.587 1.00 0.00 C ATOM 1144 CG PHE A 77 18.875 -1.978 -1.053 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.932 -2.464 -0.302 1.00 0.00 C ATOM 1146 CD2 PHE A 77 18.805 -0.617 -1.303 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.901 -1.609 0.190 1.00 0.00 C ATOM 1148 CE2 PHE A 77 19.771 0.242 -0.813 1.00 0.00 C ATOM 1149 CZ PHE A 77 20.820 -0.255 -0.065 1.00 0.00 C ATOM 0 H PHE A 77 16.716 -5.225 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 77 16.670 -2.351 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.284 -3.869 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.439 -2.508 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 77 20.000 -3.522 -0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.987 -0.223 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 77 21.721 -2.001 0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.705 1.301 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 77 21.575 0.414 0.320 1.00 0.00 H new ATOM 1159 N ILE A 78 14.766 -1.846 -1.439 1.00 0.00 N ATOM 1160 CA ILE A 78 13.501 -1.633 -2.132 1.00 0.00 C ATOM 1161 C ILE A 78 13.629 -0.576 -3.217 1.00 0.00 C ATOM 1162 O ILE A 78 14.439 0.347 -3.114 1.00 0.00 O ATOM 1163 CB ILE A 78 12.388 -1.168 -1.163 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.055 -2.249 -0.145 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.126 -0.782 -1.930 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.954 -1.836 0.806 1.00 0.00 C ATOM 0 H ILE A 78 15.162 -1.006 -1.016 1.00 0.00 H new ATOM 0 HA ILE A 78 13.238 -2.595 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 78 12.764 -0.293 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.755 -3.156 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.951 -2.493 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.358 -0.459 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.353 0.031 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.764 -1.643 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.758 -2.645 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.262 -0.945 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.047 -1.619 0.241 1.00 0.00 H new ATOM 1178 N ASP A 79 12.779 -0.689 -4.224 1.00 0.00 N ATOM 1179 CA ASP A 79 12.739 0.282 -5.298 1.00 0.00 C ATOM 1180 C ASP A 79 11.606 1.253 -5.005 1.00 0.00 C ATOM 1181 O ASP A 79 10.445 0.965 -5.291 1.00 0.00 O ATOM 1182 CB ASP A 79 12.521 -0.407 -6.648 1.00 0.00 C ATOM 1183 CG ASP A 79 13.429 0.143 -7.731 1.00 0.00 C ATOM 1184 OD1 ASP A 79 13.122 1.229 -8.267 1.00 0.00 O ATOM 1185 OD2 ASP A 79 14.445 -0.512 -8.042 1.00 0.00 O ATOM 0 H ASP A 79 12.105 -1.449 -4.318 1.00 0.00 H new ATOM 0 HA ASP A 79 13.689 0.814 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.697 -1.477 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.482 -0.284 -6.952 1.00 0.00 H new ATOM 1190 N TYR A 80 11.950 2.386 -4.390 1.00 0.00 N ATOM 1191 CA TYR A 80 10.967 3.402 -4.003 1.00 0.00 C ATOM 1192 C TYR A 80 9.754 3.417 -4.930 1.00 0.00 C ATOM 1193 O TYR A 80 8.618 3.548 -4.475 1.00 0.00 O ATOM 1194 CB TYR A 80 11.617 4.785 -3.982 1.00 0.00 C ATOM 1195 CG TYR A 80 10.752 5.852 -3.349 1.00 0.00 C ATOM 1196 CD1 TYR A 80 9.831 6.565 -4.108 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.856 6.146 -1.996 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.040 7.542 -3.534 1.00 0.00 C ATOM 1199 CE2 TYR A 80 10.067 7.121 -1.416 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.160 7.816 -2.189 1.00 0.00 C ATOM 1201 OH TYR A 80 8.373 8.787 -1.614 1.00 0.00 O ATOM 0 H TYR A 80 12.911 2.625 -4.147 1.00 0.00 H new ATOM 0 HA TYR A 80 10.616 3.144 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.561 4.725 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.855 5.081 -5.004 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.732 6.352 -5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.565 5.604 -1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.330 8.089 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.160 7.338 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 80 8.582 8.854 -0.659 1.00 0.00 H new ATOM 1211 N LYS A 81 9.998 3.279 -6.229 1.00 0.00 N ATOM 1212 CA LYS A 81 8.916 3.271 -7.204 1.00 0.00 C ATOM 1213 C LYS A 81 8.031 2.046 -7.014 1.00 0.00 C ATOM 1214 O LYS A 81 6.822 2.169 -6.816 1.00 0.00 O ATOM 1215 CB LYS A 81 9.477 3.302 -8.628 1.00 0.00 C ATOM 1216 CG LYS A 81 10.057 4.648 -9.026 1.00 0.00 C ATOM 1217 CD LYS A 81 11.565 4.682 -8.839 1.00 0.00 C ATOM 1218 CE LYS A 81 12.181 5.904 -9.501 1.00 0.00 C ATOM 1219 NZ LYS A 81 11.943 5.920 -10.970 1.00 0.00 N ATOM 0 H LYS A 81 10.930 3.172 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 81 8.310 4.164 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.252 2.541 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.684 3.037 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.814 4.856 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.597 5.435 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.801 4.686 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.005 3.778 -9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.763 6.807 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.253 5.920 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.839 6.104 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.564 4.999 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.259 6.668 -11.203 1.00 0.00 H new ATOM 1233 N ALA A 82 8.637 0.864 -7.060 1.00 0.00 N ATOM 1234 CA ALA A 82 7.899 -0.382 -6.876 1.00 0.00 C ATOM 1235 C ALA A 82 7.080 -0.332 -5.589 1.00 0.00 C ATOM 1236 O ALA A 82 6.049 -0.993 -5.469 1.00 0.00 O ATOM 1237 CB ALA A 82 8.853 -1.566 -6.845 1.00 0.00 C ATOM 0 H ALA A 82 9.636 0.742 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 82 7.218 -0.505 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.286 -2.487 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.402 -1.615 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.556 -1.446 -6.020 1.00 0.00 H new ATOM 1243 N PHE A 83 7.553 0.460 -4.634 1.00 0.00 N ATOM 1244 CA PHE A 83 6.877 0.609 -3.353 1.00 0.00 C ATOM 1245 C PHE A 83 5.881 1.764 -3.397 1.00 0.00 C ATOM 1246 O PHE A 83 4.857 1.740 -2.712 1.00 0.00 O ATOM 1247 CB PHE A 83 7.907 0.839 -2.246 1.00 0.00 C ATOM 1248 CG PHE A 83 7.850 -0.197 -1.160 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.082 -1.530 -1.453 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.566 0.162 0.146 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.030 -2.489 -0.462 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.512 -0.794 1.144 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.743 -2.122 0.838 1.00 0.00 C ATOM 0 H PHE A 83 8.407 1.011 -4.725 1.00 0.00 H new ATOM 0 HA PHE A 83 6.325 -0.307 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.906 0.843 -2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.746 1.824 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.306 -1.823 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.385 1.199 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.214 -3.526 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.290 -0.504 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.699 -2.871 1.614 1.00 0.00 H new ATOM 1263 N ALA A 84 6.190 2.774 -4.203 1.00 0.00 N ATOM 1264 CA ALA A 84 5.325 3.939 -4.338 1.00 0.00 C ATOM 1265 C ALA A 84 4.172 3.669 -5.301 1.00 0.00 C ATOM 1266 O ALA A 84 3.123 4.306 -5.221 1.00 0.00 O ATOM 1267 CB ALA A 84 6.131 5.142 -4.806 1.00 0.00 C ATOM 0 H ALA A 84 7.035 2.809 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 84 4.899 4.154 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.473 6.006 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.913 5.361 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.585 4.922 -5.772 1.00 0.00 H new ATOM 1273 N ALA A 85 4.375 2.721 -6.212 1.00 0.00 N ATOM 1274 CA ALA A 85 3.350 2.368 -7.190 1.00 0.00 C ATOM 1275 C ALA A 85 2.202 1.604 -6.556 1.00 0.00 C ATOM 1276 O ALA A 85 1.151 1.403 -7.164 1.00 0.00 O ATOM 1277 CB ALA A 85 3.957 1.565 -8.323 1.00 0.00 C ATOM 0 H ALA A 85 5.239 2.184 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 85 2.944 3.297 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.181 1.309 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.729 2.156 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.398 0.651 -7.925 1.00 0.00 H new ATOM 1283 N MET A 86 2.421 1.188 -5.333 1.00 0.00 N ATOM 1284 CA MET A 86 1.426 0.440 -4.576 1.00 0.00 C ATOM 1285 C MET A 86 0.368 1.375 -3.998 1.00 0.00 C ATOM 1286 O MET A 86 -0.791 0.994 -3.835 1.00 0.00 O ATOM 1287 CB MET A 86 2.097 -0.347 -3.448 1.00 0.00 C ATOM 1288 CG MET A 86 3.173 -1.305 -3.932 1.00 0.00 C ATOM 1289 SD MET A 86 3.913 -2.254 -2.589 1.00 0.00 S ATOM 1290 CE MET A 86 3.225 -3.878 -2.902 1.00 0.00 C ATOM 0 H MET A 86 3.291 1.354 -4.827 1.00 0.00 H new ATOM 0 HA MET A 86 0.938 -0.258 -5.256 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.538 0.354 -2.740 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.337 -0.911 -2.907 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.742 -1.991 -4.662 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.952 -0.741 -4.445 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.685 -4.603 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.149 -3.856 -2.731 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.422 -4.164 -3.935 1.00 0.00 H new ATOM 1300 N LEU A 87 0.776 2.603 -3.692 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.138 3.596 -3.133 1.00 0.00 C ATOM 1302 C LEU A 87 -0.612 4.573 -4.190 1.00 0.00 C ATOM 1303 O LEU A 87 -1.473 5.419 -3.950 1.00 0.00 O ATOM 1304 CB LEU A 87 0.545 4.357 -2.009 1.00 0.00 C ATOM 1305 CG LEU A 87 0.949 3.510 -0.800 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.262 4.005 -0.216 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.148 3.532 0.254 1.00 0.00 C ATOM 0 H LEU A 87 1.732 2.935 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.007 3.065 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.437 4.840 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.122 5.150 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 87 1.089 2.481 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.533 3.391 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.045 3.938 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.151 5.042 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.155 2.925 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.318 4.558 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.068 3.129 -0.170 1.00 0.00 H new ATOM 1319 N TYR A 88 -0.033 4.432 -5.345 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.351 5.274 -6.493 1.00 0.00 C ATOM 1321 C TYR A 88 -0.734 4.431 -7.706 1.00 0.00 C ATOM 1322 O TYR A 88 -0.640 4.886 -8.845 1.00 0.00 O ATOM 1323 CB TYR A 88 0.837 6.173 -6.837 1.00 0.00 C ATOM 1324 CG TYR A 88 1.244 7.098 -5.712 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.317 7.935 -5.106 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.557 7.134 -5.258 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.685 8.781 -4.077 1.00 0.00 C ATOM 1328 CE2 TYR A 88 2.932 7.977 -4.229 1.00 0.00 C ATOM 1329 CZ TYR A 88 1.993 8.799 -3.642 1.00 0.00 C ATOM 1330 OH TYR A 88 2.363 9.640 -2.618 1.00 0.00 O ATOM 0 H TYR A 88 0.681 3.728 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.205 5.896 -6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.688 5.548 -7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.588 6.770 -7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.709 7.925 -5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.296 6.493 -5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.049 9.425 -3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.956 7.992 -3.886 1.00 0.00 H new ATOM 0 HH TYR A 88 3.319 9.529 -2.432 1.00 0.00 H new ATOM 1340 N SER A 89 -1.166 3.199 -7.452 1.00 0.00 N ATOM 1341 CA SER A 89 -1.562 2.294 -8.524 1.00 0.00 C ATOM 1342 C SER A 89 -2.776 2.835 -9.271 1.00 0.00 C ATOM 1343 O SER A 89 -3.910 2.435 -9.003 1.00 0.00 O ATOM 1344 CB SER A 89 -1.873 0.907 -7.957 1.00 0.00 C ATOM 1345 OG SER A 89 -1.873 -0.074 -8.980 1.00 0.00 O ATOM 0 H SER A 89 -1.250 2.806 -6.515 1.00 0.00 H new ATOM 0 HA SER A 89 -0.732 2.215 -9.226 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.134 0.647 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.845 0.922 -7.463 1.00 0.00 H new ATOM 0 HG SER A 89 -2.073 -0.951 -8.592 1.00 0.00 H new