USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 564 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 86 LYS NZ :NH3+ -149:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -2.35 K(o=-2.4,f=-5.4!) USER MOD Single : A 33 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.069) USER MOD Single : A 42 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 44 GLN : amide:sc=-0.00852 X(o=-0.0085,f=-0.17) USER MOD Single : A 51 LYS NZ :NH3+ -111:sc= 0.016 (180deg=-0.245) USER MOD Single : A 54 THR OG1 : rot -112:sc= 1.35 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -2.16 F(o=-3,f=-2.2) USER MOD Single : A 73 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.239 F(o=-1.1,f=-0.24) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -162:sc= -0.885 USER MOD Single : A 85 CYS SG : rot -111:sc= -0.898 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.361 F(o=-0.97,f=-0.36) USER MOD Single : A 97 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.237) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.699 X(o=-0.7,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 9.085 -8.904 5.664 1.00 0.00 N ATOM 368 CA LEU A 29 9.395 -7.688 6.408 1.00 0.00 C ATOM 369 C LEU A 29 9.884 -8.021 7.815 1.00 0.00 C ATOM 370 O LEU A 29 9.406 -7.457 8.799 1.00 0.00 O ATOM 371 CB LEU A 29 8.164 -6.783 6.481 1.00 0.00 C ATOM 372 CG LEU A 29 7.520 -6.455 5.134 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.039 -6.160 5.309 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.227 -5.278 4.479 1.00 0.00 C ATOM 0 HA LEU A 29 10.192 -7.162 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.418 -7.261 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.447 -5.850 6.968 1.00 0.00 H new ATOM 0 HG LEU A 29 7.622 -7.323 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.597 -5.929 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.542 -7.031 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.914 -5.308 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.756 -5.058 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.156 -4.405 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.276 -5.527 4.319 1.00 0.00 H new ATOM 386 N PHE A 30 10.840 -8.941 7.901 1.00 0.00 N ATOM 387 CA PHE A 30 11.394 -9.348 9.186 1.00 0.00 C ATOM 388 C PHE A 30 12.405 -8.324 9.696 1.00 0.00 C ATOM 389 O PHE A 30 12.613 -8.191 10.901 1.00 0.00 O ATOM 390 CB PHE A 30 12.057 -10.721 9.067 1.00 0.00 C ATOM 391 CG PHE A 30 12.524 -11.279 10.380 1.00 0.00 C ATOM 392 CD1 PHE A 30 11.611 -11.738 11.316 1.00 0.00 C ATOM 393 CD2 PHE A 30 13.875 -11.346 10.679 1.00 0.00 C ATOM 394 CE1 PHE A 30 12.037 -12.252 12.526 1.00 0.00 C ATOM 395 CE2 PHE A 30 14.307 -11.858 11.888 1.00 0.00 C ATOM 396 CZ PHE A 30 13.387 -12.312 12.812 1.00 0.00 C ATOM 0 H PHE A 30 11.246 -9.418 7.096 1.00 0.00 H new ATOM 0 HA PHE A 30 10.575 -9.408 9.902 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.351 -11.418 8.616 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.908 -10.647 8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.554 -11.694 11.097 1.00 0.00 H new ATOM 0 HD2 PHE A 30 14.599 -10.994 9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.315 -12.606 13.247 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.363 -11.903 12.110 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.722 -12.713 13.757 1.00 0.00 H new ATOM 406 N ASP A 31 13.029 -7.604 8.769 1.00 0.00 N ATOM 407 CA ASP A 31 14.018 -6.593 9.126 1.00 0.00 C ATOM 408 C ASP A 31 13.392 -5.201 9.144 1.00 0.00 C ATOM 409 O ASP A 31 14.059 -4.206 8.863 1.00 0.00 O ATOM 410 CB ASP A 31 15.189 -6.624 8.142 1.00 0.00 C ATOM 411 CG ASP A 31 16.519 -6.349 8.817 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.637 -5.306 9.493 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.442 -7.177 8.669 1.00 0.00 O ATOM 0 H ASP A 31 12.868 -7.702 7.767 1.00 0.00 H new ATOM 0 HA ASP A 31 14.386 -6.820 10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.226 -7.599 7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.022 -5.884 7.359 1.00 0.00 H new ATOM 418 N PHE A 32 12.107 -5.140 9.477 1.00 0.00 N ATOM 419 CA PHE A 32 11.391 -3.870 9.532 1.00 0.00 C ATOM 420 C PHE A 32 10.648 -3.721 10.856 1.00 0.00 C ATOM 421 O PHE A 32 9.804 -4.549 11.202 1.00 0.00 O ATOM 422 CB PHE A 32 10.405 -3.766 8.366 1.00 0.00 C ATOM 423 CG PHE A 32 11.063 -3.473 7.049 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.905 -4.401 6.459 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.839 -2.268 6.401 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.512 -4.133 5.246 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.443 -1.995 5.187 1.00 0.00 C ATOM 428 CZ PHE A 32 12.280 -2.929 4.610 1.00 0.00 C ATOM 0 H PHE A 32 11.540 -5.954 9.713 1.00 0.00 H new ATOM 0 HA PHE A 32 12.122 -3.065 9.454 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.850 -4.701 8.286 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.680 -2.982 8.583 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.089 -5.344 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.186 -1.534 6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.167 -4.864 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.260 -1.053 4.691 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.753 -2.718 3.662 1.00 0.00 H new ATOM 438 N HIS A 33 10.968 -2.663 11.592 1.00 0.00 N ATOM 439 CA HIS A 33 10.331 -2.406 12.878 1.00 0.00 C ATOM 440 C HIS A 33 9.271 -1.315 12.753 1.00 0.00 C ATOM 441 O HIS A 33 9.360 -0.446 11.886 1.00 0.00 O ATOM 442 CB HIS A 33 11.379 -2.003 13.918 1.00 0.00 C ATOM 443 CG HIS A 33 11.238 -2.725 15.222 1.00 0.00 C ATOM 444 ND1 HIS A 33 11.418 -2.132 16.452 1.00 0.00 N ATOM 445 CD2 HIS A 33 10.925 -4.022 15.473 1.00 0.00 C ATOM 446 CE1 HIS A 33 11.215 -3.066 17.392 1.00 0.00 C ATOM 447 NE2 HIS A 33 10.913 -4.230 16.850 1.00 0.00 N ATOM 0 H HIS A 33 11.665 -1.969 11.320 1.00 0.00 H new ATOM 0 HA HIS A 33 9.842 -3.324 13.204 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.373 -2.193 13.513 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.308 -0.930 14.097 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.718 -4.773 14.724 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.289 -2.888 18.455 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.712 -5.103 17.339 1.00 0.00 H new ATOM 455 N ILE A 34 8.270 -1.367 13.625 1.00 0.00 N ATOM 456 CA ILE A 34 7.193 -0.384 13.613 1.00 0.00 C ATOM 457 C ILE A 34 7.676 0.965 14.137 1.00 0.00 C ATOM 458 O ILE A 34 8.323 1.041 15.181 1.00 0.00 O ATOM 459 CB ILE A 34 5.994 -0.851 14.459 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.604 -2.282 14.084 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.815 0.091 14.273 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.182 -2.436 12.639 1.00 0.00 C ATOM 0 H ILE A 34 8.182 -2.080 14.349 1.00 0.00 H new ATOM 0 HA ILE A 34 6.875 -0.277 12.576 1.00 0.00 H new ATOM 0 HB ILE A 34 6.283 -0.837 15.510 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.448 -2.943 14.280 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.788 -2.608 14.729 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.976 -0.253 14.877 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.099 1.096 14.585 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.524 0.106 13.223 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.920 -3.476 12.445 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.318 -1.801 12.443 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.004 -2.141 11.987 1.00 0.00 H new ATOM 474 N GLY A 35 7.354 2.026 13.405 1.00 0.00 N ATOM 475 CA GLY A 35 7.762 3.358 13.812 1.00 0.00 C ATOM 476 C GLY A 35 9.046 3.803 13.139 1.00 0.00 C ATOM 477 O GLY A 35 9.836 4.544 13.722 1.00 0.00 O ATOM 0 H GLY A 35 6.818 1.988 12.538 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.968 4.066 13.576 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.896 3.379 14.893 1.00 0.00 H new ATOM 481 N ASP A 36 9.253 3.349 11.907 1.00 0.00 N ATOM 482 CA ASP A 36 10.450 3.705 11.153 1.00 0.00 C ATOM 483 C ASP A 36 10.089 4.161 9.743 1.00 0.00 C ATOM 484 O ASP A 36 9.002 3.871 9.245 1.00 0.00 O ATOM 485 CB ASP A 36 11.410 2.515 11.088 1.00 0.00 C ATOM 486 CG ASP A 36 12.469 2.568 12.172 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.457 3.314 12.001 1.00 0.00 O ATOM 488 OD2 ASP A 36 12.311 1.864 13.192 1.00 0.00 O ATOM 0 H ASP A 36 8.608 2.735 11.410 1.00 0.00 H new ATOM 0 HA ASP A 36 10.941 4.531 11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.843 1.589 11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.894 2.495 10.112 1.00 0.00 H new ATOM 493 N ARG A 37 11.010 4.875 9.105 1.00 0.00 N ATOM 494 CA ARG A 37 10.790 5.371 7.752 1.00 0.00 C ATOM 495 C ARG A 37 10.753 4.222 6.750 1.00 0.00 C ATOM 496 O ARG A 37 11.597 3.327 6.786 1.00 0.00 O ATOM 497 CB ARG A 37 11.888 6.364 7.367 1.00 0.00 C ATOM 498 CG ARG A 37 11.751 7.716 8.049 1.00 0.00 C ATOM 499 CD ARG A 37 13.022 8.100 8.790 1.00 0.00 C ATOM 500 NE ARG A 37 13.133 7.416 10.077 1.00 0.00 N ATOM 501 CZ ARG A 37 14.276 7.267 10.742 1.00 0.00 C ATOM 502 NH1 ARG A 37 15.408 7.753 10.248 1.00 0.00 N ATOM 503 NH2 ARG A 37 14.288 6.631 11.906 1.00 0.00 N ATOM 0 H ARG A 37 11.916 5.123 9.503 1.00 0.00 H new ATOM 0 HA ARG A 37 9.826 5.879 7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.858 5.936 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.874 6.508 6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.519 8.478 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.915 7.688 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.888 7.857 8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.037 9.178 8.950 1.00 0.00 H new ATOM 0 HE ARG A 37 12.284 7.030 10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.405 8.244 9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.281 7.636 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.421 6.256 12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.164 6.517 12.416 1.00 0.00 H new ATOM 517 N VAL A 38 9.771 4.255 5.856 1.00 0.00 N ATOM 518 CA VAL A 38 9.624 3.216 4.844 1.00 0.00 C ATOM 519 C VAL A 38 9.092 3.794 3.537 1.00 0.00 C ATOM 520 O VAL A 38 8.013 4.386 3.503 1.00 0.00 O ATOM 521 CB VAL A 38 8.680 2.097 5.319 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.348 1.258 6.398 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.370 2.682 5.823 1.00 0.00 C ATOM 0 H VAL A 38 9.065 4.990 5.812 1.00 0.00 H new ATOM 0 HA VAL A 38 10.616 2.796 4.676 1.00 0.00 H new ATOM 0 HB VAL A 38 8.459 1.448 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.666 0.472 6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.257 0.808 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.600 1.892 7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.715 1.876 6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.569 3.354 6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.885 3.235 5.019 1.00 0.00 H new ATOM 533 N LEU A 39 9.856 3.619 2.465 1.00 0.00 N ATOM 534 CA LEU A 39 9.462 4.123 1.154 1.00 0.00 C ATOM 535 C LEU A 39 8.662 3.076 0.387 1.00 0.00 C ATOM 536 O LEU A 39 9.161 1.989 0.097 1.00 0.00 O ATOM 537 CB LEU A 39 10.698 4.529 0.351 1.00 0.00 C ATOM 538 CG LEU A 39 10.501 5.725 -0.582 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.953 6.917 0.186 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.811 6.087 -1.265 1.00 0.00 C ATOM 0 H LEU A 39 10.752 3.132 2.477 1.00 0.00 H new ATOM 0 HA LEU A 39 8.830 4.998 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.505 4.760 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.024 3.675 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 39 9.777 5.449 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.820 7.758 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.993 6.654 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.653 7.195 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.654 6.940 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.555 6.344 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.164 5.237 -1.848 1.00 0.00 H new ATOM 552 N ILE A 40 7.418 3.410 0.060 1.00 0.00 N ATOM 553 CA ILE A 40 6.550 2.499 -0.675 1.00 0.00 C ATOM 554 C ILE A 40 6.832 2.559 -2.172 1.00 0.00 C ATOM 555 O ILE A 40 6.495 3.539 -2.838 1.00 0.00 O ATOM 556 CB ILE A 40 5.062 2.818 -0.432 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.790 2.982 1.065 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.182 1.723 -1.018 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.460 3.638 1.369 1.00 0.00 C ATOM 0 H ILE A 40 6.989 4.305 0.293 1.00 0.00 H new ATOM 0 HA ILE A 40 6.763 1.495 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 40 4.822 3.757 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.820 2.002 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.589 3.576 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.134 1.963 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.358 1.650 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.422 0.771 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.334 3.722 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.434 4.632 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.653 3.033 0.956 1.00 0.00 H new ATOM 571 N GLY A 41 7.452 1.507 -2.694 1.00 0.00 N ATOM 572 CA GLY A 41 7.770 1.461 -4.110 1.00 0.00 C ATOM 573 C GLY A 41 8.730 2.556 -4.528 1.00 0.00 C ATOM 574 O GLY A 41 8.792 2.922 -5.702 1.00 0.00 O ATOM 0 H GLY A 41 7.740 0.685 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.205 0.491 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.850 1.549 -4.688 1.00 0.00 H new ATOM 578 N ASN A 42 9.484 3.083 -3.566 1.00 0.00 N ATOM 579 CA ASN A 42 10.448 4.143 -3.842 1.00 0.00 C ATOM 580 C ASN A 42 9.768 5.347 -4.489 1.00 0.00 C ATOM 581 O ASN A 42 10.118 5.753 -5.597 1.00 0.00 O ATOM 582 CB ASN A 42 11.564 3.622 -4.750 1.00 0.00 C ATOM 583 CG ASN A 42 12.609 2.834 -3.986 1.00 0.00 C ATOM 584 OD1 ASN A 42 13.767 3.243 -3.892 1.00 0.00 O ATOM 585 ND2 ASN A 42 12.204 1.696 -3.433 1.00 0.00 N ATOM 0 H ASN A 42 9.445 2.793 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 42 10.880 4.462 -2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.132 2.990 -5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.042 4.463 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.862 1.123 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.235 1.395 -3.536 1.00 0.00 H new ATOM 592 N VAL A 43 8.792 5.916 -3.787 1.00 0.00 N ATOM 593 CA VAL A 43 8.064 7.072 -4.292 1.00 0.00 C ATOM 594 C VAL A 43 7.168 7.672 -3.212 1.00 0.00 C ATOM 595 O VAL A 43 7.091 8.891 -3.059 1.00 0.00 O ATOM 596 CB VAL A 43 7.205 6.704 -5.518 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.163 5.659 -5.149 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.545 7.944 -6.104 1.00 0.00 C ATOM 0 H VAL A 43 8.488 5.594 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 43 8.808 7.810 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 43 7.859 6.277 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.567 5.413 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.662 4.760 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.512 6.054 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.944 7.662 -6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.905 8.406 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.313 8.654 -6.412 1.00 0.00 H new ATOM 608 N GLN A 44 6.488 6.806 -2.467 1.00 0.00 N ATOM 609 CA GLN A 44 5.596 7.251 -1.402 1.00 0.00 C ATOM 610 C GLN A 44 6.240 7.057 -0.030 1.00 0.00 C ATOM 611 O GLN A 44 6.242 5.951 0.511 1.00 0.00 O ATOM 612 CB GLN A 44 4.273 6.483 -1.467 1.00 0.00 C ATOM 613 CG GLN A 44 3.236 7.135 -2.366 1.00 0.00 C ATOM 614 CD GLN A 44 1.817 6.863 -1.909 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.506 5.775 -1.423 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.946 7.853 -2.064 1.00 0.00 N ATOM 0 H GLN A 44 6.537 5.794 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 44 5.404 8.314 -1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.467 5.471 -1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.864 6.393 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.406 8.211 -2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.362 6.769 -3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.247 8.738 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.024 7.728 -1.776 1.00 0.00 H new ATOM 625 N PRO A 45 6.796 8.134 0.555 1.00 0.00 N ATOM 626 CA PRO A 45 7.441 8.070 1.870 1.00 0.00 C ATOM 627 C PRO A 45 6.429 7.962 3.005 1.00 0.00 C ATOM 628 O PRO A 45 5.370 8.588 2.966 1.00 0.00 O ATOM 629 CB PRO A 45 8.199 9.394 1.953 1.00 0.00 C ATOM 630 CG PRO A 45 7.413 10.329 1.099 1.00 0.00 C ATOM 631 CD PRO A 45 6.842 9.495 -0.016 1.00 0.00 C ATOM 0 HA PRO A 45 8.077 7.191 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.261 9.752 2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.221 9.289 1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.620 10.808 1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.047 11.124 0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.850 9.841 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.468 9.535 -0.907 1.00 0.00 H new ATOM 639 N GLY A 46 6.762 7.167 4.017 1.00 0.00 N ATOM 640 CA GLY A 46 5.870 6.994 5.148 1.00 0.00 C ATOM 641 C GLY A 46 6.500 6.192 6.270 1.00 0.00 C ATOM 642 O GLY A 46 7.639 5.739 6.154 1.00 0.00 O ATOM 0 H GLY A 46 7.633 6.640 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.576 7.973 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.960 6.494 4.815 1.00 0.00 H new ATOM 646 N ILE A 47 5.759 6.017 7.358 1.00 0.00 N ATOM 647 CA ILE A 47 6.250 5.265 8.507 1.00 0.00 C ATOM 648 C ILE A 47 5.522 3.932 8.642 1.00 0.00 C ATOM 649 O ILE A 47 4.312 3.849 8.432 1.00 0.00 O ATOM 650 CB ILE A 47 6.082 6.060 9.815 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.558 7.503 9.629 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.844 5.386 10.947 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.436 8.477 9.346 1.00 0.00 C ATOM 0 H ILE A 47 4.815 6.386 7.469 1.00 0.00 H new ATOM 0 HA ILE A 47 7.311 5.084 8.335 1.00 0.00 H new ATOM 0 HB ILE A 47 5.024 6.079 10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.087 7.821 10.527 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.274 7.538 8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.715 5.960 11.865 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.460 4.376 11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.903 5.338 10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.846 9.480 9.225 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.921 8.183 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.731 8.471 10.177 1.00 0.00 H new ATOM 665 N LEU A 48 6.268 2.889 8.994 1.00 0.00 N ATOM 666 CA LEU A 48 5.692 1.559 9.156 1.00 0.00 C ATOM 667 C LEU A 48 4.886 1.469 10.448 1.00 0.00 C ATOM 668 O LEU A 48 5.449 1.432 11.542 1.00 0.00 O ATOM 669 CB LEU A 48 6.795 0.499 9.156 1.00 0.00 C ATOM 670 CG LEU A 48 6.301 -0.947 9.240 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.760 -1.405 7.894 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.421 -1.866 9.708 1.00 0.00 C ATOM 0 H LEU A 48 7.271 2.939 9.172 1.00 0.00 H new ATOM 0 HA LEU A 48 5.021 1.376 8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.388 0.613 8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.461 0.689 9.998 1.00 0.00 H new ATOM 0 HG LEU A 48 5.491 -0.993 9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.413 -2.435 7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.929 -0.764 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.549 -1.344 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.052 -2.890 9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.251 -1.816 9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.762 -1.551 10.694 1.00 0.00 H new ATOM 684 N ARG A 49 3.564 1.435 10.314 1.00 0.00 N ATOM 685 CA ARG A 49 2.679 1.350 11.470 1.00 0.00 C ATOM 686 C ARG A 49 2.251 -0.092 11.722 1.00 0.00 C ATOM 687 O ARG A 49 2.024 -0.493 12.863 1.00 0.00 O ATOM 688 CB ARG A 49 1.447 2.231 11.263 1.00 0.00 C ATOM 689 CG ARG A 49 1.735 3.718 11.383 1.00 0.00 C ATOM 690 CD ARG A 49 2.066 4.107 12.815 1.00 0.00 C ATOM 691 NE ARG A 49 0.901 4.635 13.522 1.00 0.00 N ATOM 692 CZ ARG A 49 0.811 4.711 14.848 1.00 0.00 C ATOM 693 NH1 ARG A 49 1.812 4.295 15.614 1.00 0.00 N ATOM 694 NH2 ARG A 49 -0.285 5.203 15.410 1.00 0.00 N ATOM 0 H ARG A 49 3.082 1.465 9.416 1.00 0.00 H new ATOM 0 HA ARG A 49 3.228 1.705 12.342 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.028 2.029 10.277 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.687 1.956 11.995 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.568 3.982 10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.870 4.286 11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.450 3.237 13.348 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.859 4.855 12.813 1.00 0.00 H new ATOM 0 HE ARG A 49 0.111 4.964 12.967 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.657 3.914 15.187 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.737 4.356 16.629 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.058 5.523 14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.355 5.262 16.426 1.00 0.00 H new ATOM 708 N PHE A 50 2.143 -0.868 10.648 1.00 0.00 N ATOM 709 CA PHE A 50 1.741 -2.266 10.751 1.00 0.00 C ATOM 710 C PHE A 50 2.428 -3.109 9.683 1.00 0.00 C ATOM 711 O PHE A 50 2.942 -2.581 8.696 1.00 0.00 O ATOM 712 CB PHE A 50 0.223 -2.393 10.620 1.00 0.00 C ATOM 713 CG PHE A 50 -0.278 -3.801 10.772 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.400 -4.375 12.028 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.624 -4.552 9.660 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.859 -5.670 12.172 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.084 -5.847 9.797 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.202 -6.407 11.054 1.00 0.00 C ATOM 0 H PHE A 50 2.328 -0.552 9.696 1.00 0.00 H new ATOM 0 HA PHE A 50 2.046 -2.635 11.731 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.252 -1.764 11.373 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.083 -2.011 9.646 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.133 -3.803 12.904 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.533 -4.120 8.675 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.950 -6.106 13.156 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.351 -6.421 8.922 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.562 -7.419 11.163 1.00 0.00 H new ATOM 728 N LYS A 51 2.434 -4.423 9.885 1.00 0.00 N ATOM 729 CA LYS A 51 3.057 -5.340 8.938 1.00 0.00 C ATOM 730 C LYS A 51 2.800 -6.790 9.335 1.00 0.00 C ATOM 731 O LYS A 51 3.408 -7.306 10.272 1.00 0.00 O ATOM 732 CB LYS A 51 4.563 -5.080 8.861 1.00 0.00 C ATOM 733 CG LYS A 51 5.244 -5.041 10.221 1.00 0.00 C ATOM 734 CD LYS A 51 6.173 -6.228 10.417 1.00 0.00 C ATOM 735 CE LYS A 51 6.608 -6.362 11.867 1.00 0.00 C ATOM 736 NZ LYS A 51 5.482 -6.775 12.749 1.00 0.00 N ATOM 0 H LYS A 51 2.014 -4.876 10.697 1.00 0.00 H new ATOM 0 HA LYS A 51 2.614 -5.167 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.027 -5.857 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.734 -4.132 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.811 -4.115 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.488 -5.036 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.669 -7.142 10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.051 -6.113 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.412 -7.094 11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.011 -5.411 12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.225 -5.986 13.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.661 -7.035 12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.772 -7.593 13.322 1.00 0.00 H new ATOM 750 N GLY A 52 1.893 -7.442 8.615 1.00 0.00 N ATOM 751 CA GLY A 52 1.569 -8.826 8.905 1.00 0.00 C ATOM 752 C GLY A 52 0.321 -9.295 8.185 1.00 0.00 C ATOM 753 O GLY A 52 -0.243 -8.567 7.369 1.00 0.00 O ATOM 0 H GLY A 52 1.376 -7.036 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.409 -9.460 8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.431 -8.946 9.980 1.00 0.00 H new ATOM 757 N GLU A 53 -0.112 -10.515 8.487 1.00 0.00 N ATOM 758 CA GLU A 53 -1.302 -11.080 7.863 1.00 0.00 C ATOM 759 C GLU A 53 -2.556 -10.331 8.303 1.00 0.00 C ATOM 760 O GLU A 53 -2.807 -10.170 9.497 1.00 0.00 O ATOM 761 CB GLU A 53 -1.430 -12.564 8.212 1.00 0.00 C ATOM 762 CG GLU A 53 -0.373 -13.438 7.558 1.00 0.00 C ATOM 763 CD GLU A 53 0.341 -14.335 8.550 1.00 0.00 C ATOM 764 OE1 GLU A 53 1.251 -13.841 9.249 1.00 0.00 O ATOM 765 OE2 GLU A 53 -0.010 -15.532 8.628 1.00 0.00 O ATOM 0 H GLU A 53 0.344 -11.131 9.160 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.200 -10.975 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.367 -12.681 9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.417 -12.915 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.841 -14.053 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.358 -12.803 7.057 1.00 0.00 H new ATOM 772 N THR A 54 -3.339 -9.875 7.330 1.00 0.00 N ATOM 773 CA THR A 54 -4.567 -9.144 7.619 1.00 0.00 C ATOM 774 C THR A 54 -5.781 -10.062 7.531 1.00 0.00 C ATOM 775 O THR A 54 -5.662 -11.234 7.171 1.00 0.00 O ATOM 776 CB THR A 54 -4.728 -7.973 6.647 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.686 -8.426 5.305 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.661 -6.913 6.807 1.00 0.00 C ATOM 0 H THR A 54 -3.145 -9.999 6.336 1.00 0.00 H new ATOM 0 HA THR A 54 -4.499 -8.758 8.636 1.00 0.00 H new ATOM 0 HB THR A 54 -5.696 -7.531 6.884 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.874 -8.090 4.872 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.833 -6.112 6.088 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.699 -6.508 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.680 -7.354 6.630 1.00 0.00 H new ATOM 786 N SER A 55 -6.949 -9.523 7.865 1.00 0.00 N ATOM 787 CA SER A 55 -8.187 -10.292 7.825 1.00 0.00 C ATOM 788 C SER A 55 -8.926 -10.080 6.507 1.00 0.00 C ATOM 789 O SER A 55 -9.752 -10.902 6.111 1.00 0.00 O ATOM 790 CB SER A 55 -9.089 -9.904 8.997 1.00 0.00 C ATOM 791 OG SER A 55 -10.146 -10.835 9.159 1.00 0.00 O ATOM 0 H SER A 55 -7.064 -8.555 8.167 1.00 0.00 H new ATOM 0 HA SER A 55 -7.929 -11.348 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.500 -9.856 9.913 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.500 -8.908 8.829 1.00 0.00 H new ATOM 0 HG SER A 55 -10.707 -10.565 9.916 1.00 0.00 H new ATOM 797 N PHE A 56 -8.629 -8.972 5.833 1.00 0.00 N ATOM 798 CA PHE A 56 -9.271 -8.657 4.561 1.00 0.00 C ATOM 799 C PHE A 56 -8.565 -9.352 3.402 1.00 0.00 C ATOM 800 O PHE A 56 -9.203 -9.768 2.435 1.00 0.00 O ATOM 801 CB PHE A 56 -9.282 -7.144 4.334 1.00 0.00 C ATOM 802 CG PHE A 56 -7.915 -6.523 4.352 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.111 -6.554 3.224 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.434 -5.908 5.497 1.00 0.00 C ATOM 805 CE1 PHE A 56 -5.852 -5.984 3.237 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.176 -5.335 5.516 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.385 -5.372 4.385 1.00 0.00 C ATOM 0 H PHE A 56 -7.949 -8.279 6.146 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.298 -9.021 4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.755 -6.932 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -9.895 -6.674 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.472 -7.029 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.049 -5.876 6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.234 -6.017 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.812 -4.859 6.415 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.403 -4.923 4.397 1.00 0.00 H new ATOM 817 N ALA A 57 -7.245 -9.474 3.504 1.00 0.00 N ATOM 818 CA ALA A 57 -6.457 -10.118 2.460 1.00 0.00 C ATOM 819 C ALA A 57 -5.390 -11.030 3.056 1.00 0.00 C ATOM 820 O ALA A 57 -4.992 -10.866 4.209 1.00 0.00 O ATOM 821 CB ALA A 57 -5.816 -9.071 1.562 1.00 0.00 C ATOM 0 H ALA A 57 -6.700 -9.136 4.297 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.129 -10.734 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.231 -9.566 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.594 -8.464 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.164 -8.432 2.157 1.00 0.00 H new ATOM 827 N LYS A 58 -4.930 -11.991 2.261 1.00 0.00 N ATOM 828 CA LYS A 58 -3.907 -12.929 2.707 1.00 0.00 C ATOM 829 C LYS A 58 -2.510 -12.379 2.442 1.00 0.00 C ATOM 830 O LYS A 58 -2.339 -11.448 1.654 1.00 0.00 O ATOM 831 CB LYS A 58 -4.079 -14.277 2.002 1.00 0.00 C ATOM 832 CG LYS A 58 -3.683 -15.469 2.859 1.00 0.00 C ATOM 833 CD LYS A 58 -2.238 -15.879 2.614 1.00 0.00 C ATOM 834 CE LYS A 58 -2.125 -17.359 2.287 1.00 0.00 C ATOM 835 NZ LYS A 58 -0.837 -17.936 2.760 1.00 0.00 N ATOM 0 H LYS A 58 -5.250 -12.140 1.304 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.024 -13.070 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.120 -14.388 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.480 -14.280 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.818 -15.222 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.342 -16.309 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.827 -15.292 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.640 -15.654 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.954 -17.897 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.212 -17.500 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.800 -18.947 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.046 -17.440 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.765 -17.825 3.791 1.00 0.00 H new ATOM 849 N GLY A 59 -1.515 -12.958 3.104 1.00 0.00 N ATOM 850 CA GLY A 59 -0.146 -12.511 2.926 1.00 0.00 C ATOM 851 C GLY A 59 0.206 -11.346 3.830 1.00 0.00 C ATOM 852 O GLY A 59 -0.616 -10.906 4.634 1.00 0.00 O ATOM 0 H GLY A 59 -1.632 -13.729 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.533 -13.340 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.005 -12.219 1.887 1.00 0.00 H new ATOM 856 N PHE A 60 1.429 -10.846 3.700 1.00 0.00 N ATOM 857 CA PHE A 60 1.887 -9.725 4.514 1.00 0.00 C ATOM 858 C PHE A 60 1.329 -8.406 3.986 1.00 0.00 C ATOM 859 O PHE A 60 1.221 -8.206 2.776 1.00 0.00 O ATOM 860 CB PHE A 60 3.417 -9.676 4.538 1.00 0.00 C ATOM 861 CG PHE A 60 4.010 -10.117 5.847 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.200 -11.463 6.118 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.379 -9.186 6.804 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.746 -11.872 7.320 1.00 0.00 C ATOM 865 CE2 PHE A 60 4.926 -9.589 8.008 1.00 0.00 C ATOM 866 CZ PHE A 60 5.109 -10.933 8.266 1.00 0.00 C ATOM 0 H PHE A 60 2.122 -11.198 3.039 1.00 0.00 H new ATOM 0 HA PHE A 60 1.521 -9.871 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.806 -10.309 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.744 -8.658 4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.918 -12.201 5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.238 -8.133 6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.889 -12.924 7.519 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.210 -8.853 8.746 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.535 -11.250 9.206 1.00 0.00 H new ATOM 876 N TRP A 61 0.977 -7.511 4.903 1.00 0.00 N ATOM 877 CA TRP A 61 0.431 -6.210 4.531 1.00 0.00 C ATOM 878 C TRP A 61 0.979 -5.113 5.438 1.00 0.00 C ATOM 879 O TRP A 61 0.534 -4.954 6.574 1.00 0.00 O ATOM 880 CB TRP A 61 -1.096 -6.236 4.607 1.00 0.00 C ATOM 881 CG TRP A 61 -1.733 -7.031 3.508 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.308 -8.265 3.617 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.857 -6.649 2.134 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.782 -8.674 2.394 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.518 -7.699 1.467 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.475 -5.522 1.401 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.805 -7.653 0.105 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.760 -5.478 0.049 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.420 -6.537 -0.587 1.00 0.00 C ATOM 0 H TRP A 61 1.060 -7.662 5.908 1.00 0.00 H new ATOM 0 HA TRP A 61 0.733 -5.994 3.506 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.398 -6.652 5.568 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.472 -5.213 4.570 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.380 -8.836 4.531 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.253 -9.559 2.206 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.966 -4.700 1.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.313 -8.469 -0.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.469 -4.612 -0.527 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.629 -6.472 -1.645 1.00 0.00 H new ATOM 900 N ALA A 62 1.947 -4.359 4.926 1.00 0.00 N ATOM 901 CA ALA A 62 2.556 -3.278 5.690 1.00 0.00 C ATOM 902 C ALA A 62 1.715 -2.009 5.615 1.00 0.00 C ATOM 903 O ALA A 62 1.510 -1.451 4.537 1.00 0.00 O ATOM 904 CB ALA A 62 3.967 -3.009 5.188 1.00 0.00 C ATOM 0 H ALA A 62 2.325 -4.477 3.986 1.00 0.00 H new ATOM 0 HA ALA A 62 2.605 -3.587 6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.411 -2.199 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.571 -3.909 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.931 -2.726 4.136 1.00 0.00 H new ATOM 910 N GLY A 63 1.231 -1.557 6.767 1.00 0.00 N ATOM 911 CA GLY A 63 0.418 -0.355 6.809 1.00 0.00 C ATOM 912 C GLY A 63 1.243 0.893 7.055 1.00 0.00 C ATOM 913 O GLY A 63 1.444 1.297 8.199 1.00 0.00 O ATOM 0 H GLY A 63 1.387 -2.001 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.121 -0.251 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.330 -0.453 7.595 1.00 0.00 H new ATOM 917 N VAL A 64 1.722 1.504 5.976 1.00 0.00 N ATOM 918 CA VAL A 64 2.531 2.712 6.080 1.00 0.00 C ATOM 919 C VAL A 64 1.655 3.950 6.233 1.00 0.00 C ATOM 920 O VAL A 64 0.605 4.061 5.600 1.00 0.00 O ATOM 921 CB VAL A 64 3.438 2.887 4.847 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.411 4.038 5.060 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.184 1.597 4.545 1.00 0.00 C ATOM 0 H VAL A 64 1.564 1.182 5.021 1.00 0.00 H new ATOM 0 HA VAL A 64 3.154 2.600 6.968 1.00 0.00 H new ATOM 0 HB VAL A 64 2.811 3.125 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.044 4.147 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.853 4.960 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.033 3.832 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.819 1.740 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.801 1.324 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.467 0.800 4.346 1.00 0.00 H new ATOM 933 N GLU A 65 2.094 4.878 7.075 1.00 0.00 N ATOM 934 CA GLU A 65 1.351 6.110 7.311 1.00 0.00 C ATOM 935 C GLU A 65 2.028 7.294 6.627 1.00 0.00 C ATOM 936 O GLU A 65 3.032 7.814 7.116 1.00 0.00 O ATOM 937 CB GLU A 65 1.226 6.377 8.812 1.00 0.00 C ATOM 938 CG GLU A 65 0.366 7.585 9.146 1.00 0.00 C ATOM 939 CD GLU A 65 1.185 8.774 9.610 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.719 9.501 8.746 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.293 8.977 10.838 1.00 0.00 O ATOM 0 H GLU A 65 2.961 4.801 7.606 1.00 0.00 H new ATOM 0 HA GLU A 65 0.354 5.989 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.804 5.496 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.222 6.524 9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.213 7.868 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.348 7.314 9.924 1.00 0.00 H new ATOM 948 N LEU A 66 1.474 7.713 5.495 1.00 0.00 N ATOM 949 CA LEU A 66 2.024 8.835 4.744 1.00 0.00 C ATOM 950 C LEU A 66 1.975 10.118 5.568 1.00 0.00 C ATOM 951 O LEU A 66 1.082 10.302 6.397 1.00 0.00 O ATOM 952 CB LEU A 66 1.256 9.027 3.435 1.00 0.00 C ATOM 953 CG LEU A 66 1.118 7.770 2.575 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.139 8.008 1.437 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.475 7.345 2.033 1.00 0.00 C ATOM 0 H LEU A 66 0.644 7.292 5.077 1.00 0.00 H new ATOM 0 HA LEU A 66 3.066 8.610 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.259 9.401 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.756 9.797 2.848 1.00 0.00 H new ATOM 0 HG LEU A 66 0.729 6.965 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.053 7.103 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.838 8.266 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.499 8.826 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.359 6.449 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.891 8.147 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.149 7.134 2.864 1.00 0.00 H new ATOM 967 N ASP A 67 2.938 11.003 5.334 1.00 0.00 N ATOM 968 CA ASP A 67 3.004 12.269 6.055 1.00 0.00 C ATOM 969 C ASP A 67 1.930 13.233 5.560 1.00 0.00 C ATOM 970 O ASP A 67 1.410 14.045 6.325 1.00 0.00 O ATOM 971 CB ASP A 67 4.388 12.901 5.893 1.00 0.00 C ATOM 972 CG ASP A 67 5.380 12.389 6.920 1.00 0.00 C ATOM 973 OD1 ASP A 67 6.029 11.357 6.655 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.506 13.024 7.989 1.00 0.00 O ATOM 0 H ASP A 67 3.683 10.867 4.651 1.00 0.00 H new ATOM 0 HA ASP A 67 2.827 12.067 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.765 12.692 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.303 13.984 5.982 1.00 0.00 H new ATOM 979 N LYS A 68 1.604 13.139 4.275 1.00 0.00 N ATOM 980 CA LYS A 68 0.593 14.002 3.677 1.00 0.00 C ATOM 981 C LYS A 68 -0.607 13.187 3.200 1.00 0.00 C ATOM 982 O LYS A 68 -0.480 11.999 2.902 1.00 0.00 O ATOM 983 CB LYS A 68 1.189 14.787 2.507 1.00 0.00 C ATOM 984 CG LYS A 68 1.976 16.014 2.936 1.00 0.00 C ATOM 985 CD LYS A 68 1.055 17.139 3.382 1.00 0.00 C ATOM 986 CE LYS A 68 0.716 18.071 2.230 1.00 0.00 C ATOM 987 NZ LYS A 68 0.674 19.496 2.662 1.00 0.00 N ATOM 0 H LYS A 68 2.026 12.473 3.628 1.00 0.00 H new ATOM 0 HA LYS A 68 0.253 14.703 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.842 14.129 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.384 15.097 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.649 15.749 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.597 16.357 2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.137 16.718 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.532 17.706 4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.456 17.953 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.249 17.791 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.440 20.099 1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.050 19.614 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.603 19.771 3.041 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.792 13.818 3.120 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.019 13.144 2.677 1.00 0.00 C ATOM 1003 C PRO A 69 -2.865 12.509 1.299 1.00 0.00 C ATOM 1004 O PRO A 69 -3.222 13.108 0.284 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.055 14.272 2.634 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.527 15.313 3.559 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.030 15.232 3.458 1.00 0.00 C ATOM 0 HA PRO A 69 -3.293 12.324 3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.171 14.664 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.036 13.920 2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.885 16.303 3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.860 15.133 4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.641 15.901 2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.547 15.509 4.395 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.334 11.292 1.270 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.134 10.572 0.017 1.00 0.00 C ATOM 1017 C GLU A 70 -2.471 9.094 0.181 1.00 0.00 C ATOM 1018 O GLU A 70 -1.914 8.240 -0.507 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.689 10.727 -0.461 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.397 12.078 -1.092 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.161 11.986 -2.587 1.00 0.00 C ATOM 1022 OE1 GLU A 70 0.332 10.935 -3.047 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -0.470 12.966 -3.298 1.00 0.00 O ATOM 0 H GLU A 70 -2.034 10.782 2.101 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.803 10.999 -0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.018 10.578 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.469 9.942 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.232 12.752 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.481 12.515 -0.616 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.386 8.798 1.100 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.781 7.422 1.339 1.00 0.00 C ATOM 1032 C GLY A 71 -5.245 7.177 1.032 1.00 0.00 C ATOM 1033 O GLY A 71 -5.781 7.715 0.064 1.00 0.00 O ATOM 0 H GLY A 71 -3.861 9.487 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.169 6.760 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.584 7.166 2.380 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.891 6.362 1.859 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.302 6.045 1.670 1.00 0.00 C ATOM 1039 C ASN A 72 -7.941 5.588 2.979 1.00 0.00 C ATOM 1040 O ASN A 72 -9.053 5.995 3.314 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.465 4.959 0.605 1.00 0.00 C ATOM 1042 CG ASN A 72 -7.005 5.418 -0.765 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.735 5.181 -1.071 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.782 5.977 -1.538 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.461 5.909 2.666 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.808 6.951 1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.896 4.077 0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.512 4.660 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.750 6.138 -1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.458 6.279 -2.457 1.00 0.00 H new ATOM 1051 N ASN A 73 -7.232 4.737 3.715 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.732 4.222 4.984 1.00 0.00 C ATOM 1053 C ASN A 73 -7.214 5.054 6.152 1.00 0.00 C ATOM 1054 O ASN A 73 -6.501 6.039 5.960 1.00 0.00 O ATOM 1055 CB ASN A 73 -7.321 2.760 5.163 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.888 1.863 4.080 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.866 1.148 4.300 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -7.275 1.896 2.903 1.00 0.00 N ATOM 0 H ASN A 73 -6.309 4.390 3.454 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.820 4.287 4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.233 2.688 5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.659 2.407 6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.611 1.313 2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.468 2.504 2.765 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.577 4.649 7.366 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.151 5.355 8.568 1.00 0.00 C ATOM 1067 C ASN A 74 -6.661 4.375 9.629 1.00 0.00 C ATOM 1068 O ASN A 74 -6.877 4.579 10.824 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.300 6.196 9.126 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.595 5.413 9.225 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -10.203 5.129 8.079 1.00 0.00 O flip ATOM 1072 ND2 ASN A 74 -10.042 5.066 10.317 1.00 0.00 N flip ATOM 0 H ASN A 74 -8.166 3.835 7.542 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.326 6.014 8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.028 6.569 10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.453 7.066 8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.541 5.306 11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.913 4.538 10.367 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.002 3.311 9.184 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.493 2.314 10.109 1.00 0.00 C ATOM 1081 C GLY A 75 -6.445 1.148 10.286 1.00 0.00 C ATOM 1082 O GLY A 75 -6.019 -0.005 10.361 1.00 0.00 O ATOM 0 H GLY A 75 -5.811 3.121 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.533 1.944 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.311 2.780 11.077 1.00 0.00 H new ATOM 1086 N THR A 76 -7.738 1.447 10.353 1.00 0.00 N ATOM 1087 CA THR A 76 -8.754 0.416 10.523 1.00 0.00 C ATOM 1088 C THR A 76 -9.309 -0.029 9.174 1.00 0.00 C ATOM 1089 O THR A 76 -9.936 0.755 8.461 1.00 0.00 O ATOM 1090 CB THR A 76 -9.890 0.930 11.410 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.390 1.376 12.657 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.953 -0.112 11.687 1.00 0.00 C ATOM 0 H THR A 76 -8.107 2.396 10.292 1.00 0.00 H new ATOM 0 HA THR A 76 -8.286 -0.443 11.005 1.00 0.00 H new ATOM 0 HB THR A 76 -10.344 1.748 10.851 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.131 1.702 13.209 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.728 0.319 12.321 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.395 -0.440 10.746 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.503 -0.966 12.193 1.00 0.00 H new ATOM 1100 N TYR A 77 -9.072 -1.290 8.828 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.548 -1.838 7.564 1.00 0.00 C ATOM 1102 C TYR A 77 -10.853 -2.603 7.758 1.00 0.00 C ATOM 1103 O TYR A 77 -10.850 -3.755 8.194 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.490 -2.758 6.952 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.601 -2.896 5.451 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.744 -3.427 4.866 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.564 -2.494 4.618 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.850 -3.555 3.494 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.663 -2.618 3.246 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.807 -3.149 2.689 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.909 -3.274 1.322 1.00 0.00 O ATOM 0 H TYR A 77 -8.553 -1.951 9.406 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.734 -1.006 6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.500 -2.375 7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.573 -3.745 7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.563 -3.745 5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.666 -2.078 5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.745 -3.971 3.055 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.848 -2.300 2.612 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.089 -2.941 0.901 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.967 -1.955 7.433 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.280 -2.575 7.570 1.00 0.00 C ATOM 1123 C ASP A 78 -13.546 -2.971 9.019 1.00 0.00 C ATOM 1124 O ASP A 78 -14.247 -3.947 9.287 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.385 -3.804 6.666 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.932 -3.467 5.292 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.819 -2.592 5.205 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -13.472 -4.076 4.304 1.00 0.00 O ATOM 0 H ASP A 78 -11.987 -1.001 7.073 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.031 -1.846 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.400 -4.259 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.029 -4.545 7.139 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.983 -2.207 9.950 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.172 -2.496 11.360 1.00 0.00 C ATOM 1135 C GLY A 79 -11.900 -2.974 12.030 1.00 0.00 C ATOM 1136 O GLY A 79 -11.650 -2.666 13.195 1.00 0.00 O ATOM 0 H GLY A 79 -12.400 -1.394 9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.531 -1.600 11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.945 -3.256 11.471 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.093 -3.730 11.293 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.840 -4.252 11.825 1.00 0.00 C ATOM 1142 C ILE A 80 -8.833 -3.130 12.055 1.00 0.00 C ATOM 1143 O ILE A 80 -8.179 -2.667 11.120 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.218 -5.298 10.879 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.260 -6.345 10.483 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.017 -5.961 11.538 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.881 -7.057 11.666 1.00 0.00 C ATOM 0 H ILE A 80 -11.284 -3.995 10.327 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.075 -4.729 12.776 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.879 -4.791 9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.048 -5.861 9.906 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.793 -7.082 9.830 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.589 -6.697 10.858 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.268 -5.205 11.773 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.333 -6.456 12.456 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.610 -7.785 11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.103 -7.569 12.232 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.378 -6.330 12.309 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.713 -2.697 13.306 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.787 -1.630 13.659 1.00 0.00 C ATOM 1161 C ALA A 81 -6.349 -2.137 13.688 1.00 0.00 C ATOM 1162 O ALA A 81 -6.004 -3.011 14.483 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.163 -1.028 15.005 1.00 0.00 C ATOM 0 H ALA A 81 -9.246 -3.070 14.092 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.856 -0.856 12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.462 -0.232 15.256 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.172 -0.620 14.952 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.124 -1.801 15.773 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.514 -1.583 12.814 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.112 -1.979 12.739 1.00 0.00 C ATOM 1171 C TYR A 82 -3.213 -0.912 13.355 1.00 0.00 C ATOM 1172 O TYR A 82 -2.170 -1.221 13.933 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.707 -2.226 11.285 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.424 -3.392 10.644 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -4.055 -4.701 10.926 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.472 -3.184 9.756 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.708 -5.770 10.341 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -6.131 -4.246 9.168 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.745 -5.536 9.463 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.399 -6.598 8.879 1.00 0.00 O ATOM 0 H TYR A 82 -5.784 -0.859 12.148 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.990 -2.903 13.304 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.905 -1.325 10.704 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.632 -2.403 11.242 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.244 -4.887 11.614 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.777 -2.175 9.521 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.408 -6.782 10.570 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.944 -4.067 8.481 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.892 -6.286 8.092 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.624 0.346 13.228 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.856 1.460 13.773 1.00 0.00 C ATOM 1192 C PHE A 83 -3.692 2.735 13.802 1.00 0.00 C ATOM 1193 O PHE A 83 -4.861 2.731 13.418 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.589 1.685 12.947 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.832 1.699 11.465 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.858 0.517 10.743 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -2.035 2.894 10.794 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.081 0.526 9.379 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.258 2.911 9.430 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.281 1.725 8.722 1.00 0.00 C ATOM 0 H PHE A 83 -4.484 0.619 12.753 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.575 1.209 14.796 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.137 2.632 13.242 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.869 0.901 13.181 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.702 -0.423 11.252 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.019 3.824 11.343 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.099 -0.402 8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.414 3.849 8.919 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.455 1.735 7.656 1.00 0.00 H new ATOM 1210 N GLU A 84 -3.084 3.824 14.260 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.773 5.108 14.340 1.00 0.00 C ATOM 1212 C GLU A 84 -3.182 6.105 13.349 1.00 0.00 C ATOM 1213 O GLU A 84 -1.968 6.152 13.148 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.685 5.671 15.760 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.449 6.972 15.947 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.752 7.924 16.898 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -3.992 7.824 18.120 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -2.966 8.770 16.422 1.00 0.00 O ATOM 0 H GLU A 84 -2.116 3.844 14.581 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.820 4.946 14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.070 4.930 16.460 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.637 5.835 16.013 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.575 7.458 14.979 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.447 6.752 16.325 1.00 0.00 H new ATOM 1225 N CYS A 85 -4.049 6.903 12.733 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.613 7.901 11.764 1.00 0.00 C ATOM 1227 C CYS A 85 -4.796 8.725 11.263 1.00 0.00 C ATOM 1228 O CYS A 85 -5.926 8.548 11.717 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.913 7.227 10.583 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.923 5.994 9.731 1.00 0.00 S ATOM 0 H CYS A 85 -5.057 6.877 12.888 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.910 8.569 12.261 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.613 7.993 9.867 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.000 6.750 10.940 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.431 4.809 9.942 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.526 9.628 10.326 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.567 10.480 9.763 1.00 0.00 C ATOM 1238 C LYS A 86 -6.663 9.644 9.110 1.00 0.00 C ATOM 1239 O LYS A 86 -6.710 8.425 9.277 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.963 11.448 8.741 1.00 0.00 C ATOM 1241 CG LYS A 86 -5.138 12.912 9.115 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.866 13.490 9.713 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.696 14.956 9.349 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.268 15.306 9.108 1.00 0.00 N ATOM 0 H LYS A 86 -3.595 9.789 9.941 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.013 11.053 10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.900 11.233 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.424 11.272 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.418 13.484 8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.955 13.011 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.892 13.384 10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.005 12.923 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.280 15.179 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.092 15.578 10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.103 16.297 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.658 14.686 9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.045 15.181 8.100 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.543 10.307 8.366 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.639 9.623 7.689 1.00 0.00 C ATOM 1260 C GLU A 87 -8.129 8.825 6.493 1.00 0.00 C ATOM 1261 O GLU A 87 -8.472 7.655 6.325 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.693 10.636 7.232 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.899 10.716 8.155 1.00 0.00 C ATOM 1264 CD GLU A 87 -10.514 11.009 9.591 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -10.287 12.193 9.916 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -10.440 10.053 10.392 1.00 0.00 O ATOM 0 H GLU A 87 -7.519 11.316 8.217 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.094 8.929 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.232 11.621 7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.030 10.371 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.575 11.493 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.446 9.774 8.114 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.309 9.465 5.666 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.754 8.814 4.486 1.00 0.00 C ATOM 1275 C LYS A 88 -5.241 9.005 4.418 1.00 0.00 C ATOM 1276 O LYS A 88 -4.702 9.417 3.391 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.410 9.364 3.217 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.929 9.303 3.243 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.548 10.516 2.567 1.00 0.00 C ATOM 1280 CE LYS A 88 -11.016 10.285 2.246 1.00 0.00 C ATOM 1281 NZ LYS A 88 -11.194 9.563 0.955 1.00 0.00 N ATOM 0 H LYS A 88 -7.014 10.433 5.791 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.962 7.747 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.098 10.399 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.047 8.802 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.266 8.395 2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.274 9.245 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.449 11.386 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.004 10.739 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.478 9.711 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.533 11.243 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.208 9.425 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.776 10.122 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.722 8.638 1.007 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.563 8.703 5.520 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.113 8.840 5.587 1.00 0.00 C ATOM 1297 C HIS A 89 -2.435 7.473 5.595 1.00 0.00 C ATOM 1298 O HIS A 89 -1.275 7.343 5.203 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.712 9.630 6.835 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.527 11.094 6.580 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.367 11.782 6.863 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.385 12.005 6.055 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.554 13.062 6.510 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.762 13.249 6.014 1.00 0.00 N ATOM 0 H HIS A 89 -4.994 8.362 6.379 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.783 9.382 4.701 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.476 9.496 7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.785 9.218 7.234 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.518 11.388 7.268 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.391 11.798 5.722 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.812 13.839 6.618 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.164 6.455 6.043 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.613 5.113 6.092 1.00 0.00 C ATOM 1314 C GLY A 90 -2.994 4.288 4.878 1.00 0.00 C ATOM 1315 O GLY A 90 -4.164 4.231 4.500 1.00 0.00 O ATOM 0 H GLY A 90 -4.126 6.536 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.527 5.171 6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.964 4.611 6.994 1.00 0.00 H new ATOM 1319 N ILE A 91 -2.004 3.648 4.267 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.241 2.822 3.089 1.00 0.00 C ATOM 1321 C ILE A 91 -1.497 1.494 3.193 1.00 0.00 C ATOM 1322 O ILE A 91 -0.270 1.463 3.277 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.810 3.548 1.799 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.164 2.710 0.569 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.318 3.851 1.831 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.400 3.536 -0.677 1.00 0.00 C ATOM 0 H ILE A 91 -1.030 3.685 4.567 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.313 2.629 3.044 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.350 4.493 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.358 2.001 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.059 2.126 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.031 4.363 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.094 4.488 2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.241 2.919 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.646 2.877 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.225 4.227 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.498 4.100 -0.916 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.249 0.398 3.185 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.662 -0.934 3.277 1.00 0.00 C ATOM 1340 C PHE A 92 -1.060 -1.357 1.940 1.00 0.00 C ATOM 1341 O PHE A 92 -1.732 -1.328 0.910 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.715 -1.949 3.720 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.378 -1.599 5.022 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.429 -0.696 5.057 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -2.952 -2.171 6.208 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -5.042 -0.371 6.253 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.560 -1.850 7.407 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.607 -0.950 7.429 1.00 0.00 C ATOM 0 H PHE A 92 -3.267 0.406 3.116 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.865 -0.902 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.477 -2.031 2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.247 -2.929 3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.773 -0.241 4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.135 -2.877 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.860 0.334 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.217 -2.303 8.326 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.085 -0.699 8.364 1.00 0.00 H new ATOM 1358 N ALA A 93 0.209 -1.750 1.967 1.00 0.00 N ATOM 1359 CA ALA A 93 0.901 -2.181 0.759 1.00 0.00 C ATOM 1360 C ALA A 93 1.702 -3.456 1.012 1.00 0.00 C ATOM 1361 O ALA A 93 2.197 -3.678 2.118 1.00 0.00 O ATOM 1362 CB ALA A 93 1.811 -1.075 0.251 1.00 0.00 C ATOM 0 H ALA A 93 0.779 -1.779 2.813 1.00 0.00 H new ATOM 0 HA ALA A 93 0.153 -2.398 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.322 -1.410 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.216 -0.190 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.548 -0.831 1.016 1.00 0.00 H new ATOM 1368 N PRO A 94 1.843 -4.313 -0.014 1.00 0.00 N ATOM 1369 CA PRO A 94 2.589 -5.570 0.106 1.00 0.00 C ATOM 1370 C PRO A 94 3.996 -5.357 0.656 1.00 0.00 C ATOM 1371 O PRO A 94 4.537 -4.253 0.592 1.00 0.00 O ATOM 1372 CB PRO A 94 2.650 -6.088 -1.333 1.00 0.00 C ATOM 1373 CG PRO A 94 1.475 -5.473 -2.009 1.00 0.00 C ATOM 1374 CD PRO A 94 1.287 -4.126 -1.367 1.00 0.00 C ATOM 0 HA PRO A 94 2.113 -6.262 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.582 -5.798 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.599 -7.176 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.649 -5.374 -3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.586 -6.092 -1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.813 -3.343 -1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.236 -3.840 -1.334 1.00 0.00 H new ATOM 1382 N PRO A 95 4.613 -6.418 1.206 1.00 0.00 N ATOM 1383 CA PRO A 95 5.966 -6.342 1.769 1.00 0.00 C ATOM 1384 C PRO A 95 7.011 -6.002 0.713 1.00 0.00 C ATOM 1385 O PRO A 95 7.966 -5.273 0.982 1.00 0.00 O ATOM 1386 CB PRO A 95 6.207 -7.749 2.327 1.00 0.00 C ATOM 1387 CG PRO A 95 5.248 -8.624 1.595 1.00 0.00 C ATOM 1388 CD PRO A 95 4.043 -7.771 1.321 1.00 0.00 C ATOM 0 HA PRO A 95 6.049 -5.556 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.236 -8.068 2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.031 -7.783 3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.685 -8.993 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.982 -9.497 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.534 -8.074 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.312 -7.834 2.127 1.00 0.00 H new ATOM 1396 N GLN A 96 6.824 -6.533 -0.491 1.00 0.00 N ATOM 1397 CA GLN A 96 7.751 -6.284 -1.589 1.00 0.00 C ATOM 1398 C GLN A 96 7.853 -4.791 -1.890 1.00 0.00 C ATOM 1399 O GLN A 96 8.868 -4.320 -2.407 1.00 0.00 O ATOM 1400 CB GLN A 96 7.305 -7.039 -2.842 1.00 0.00 C ATOM 1401 CG GLN A 96 5.833 -6.850 -3.177 1.00 0.00 C ATOM 1402 CD GLN A 96 5.600 -6.565 -4.647 1.00 0.00 C ATOM 1403 OE1 GLN A 96 4.633 -5.703 -4.937 1.00 0.00 O flip ATOM 1404 NE2 GLN A 96 6.283 -7.112 -5.512 1.00 0.00 N flip ATOM 0 H GLN A 96 6.039 -7.138 -0.731 1.00 0.00 H new ATOM 0 HA GLN A 96 8.735 -6.643 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.907 -6.708 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.504 -8.102 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.282 -7.747 -2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.432 -6.028 -2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.016 -7.768 -5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.116 -6.909 -6.498 1.00 0.00 H new ATOM 1413 N LYS A 97 6.799 -4.049 -1.564 1.00 0.00 N ATOM 1414 CA LYS A 97 6.773 -2.611 -1.803 1.00 0.00 C ATOM 1415 C LYS A 97 7.140 -1.841 -0.537 1.00 0.00 C ATOM 1416 O LYS A 97 6.602 -0.765 -0.275 1.00 0.00 O ATOM 1417 CB LYS A 97 5.390 -2.179 -2.293 1.00 0.00 C ATOM 1418 CG LYS A 97 4.904 -2.958 -3.504 1.00 0.00 C ATOM 1419 CD LYS A 97 4.865 -2.089 -4.752 1.00 0.00 C ATOM 1420 CE LYS A 97 3.437 -1.743 -5.147 1.00 0.00 C ATOM 1421 NZ LYS A 97 2.686 -1.118 -4.025 1.00 0.00 N ATOM 0 H LYS A 97 5.952 -4.420 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 97 7.511 -2.383 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.672 -2.299 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.416 -1.118 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.560 -3.812 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.909 -3.355 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.427 -1.172 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.355 -2.610 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.451 -1.062 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.921 -2.647 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.939 -0.503 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.256 -1.861 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.337 -0.552 -3.444 1.00 0.00 H new ATOM 1435 N ILE A 98 8.059 -2.399 0.244 1.00 0.00 N ATOM 1436 CA ILE A 98 8.498 -1.764 1.481 1.00 0.00 C ATOM 1437 C ILE A 98 10.019 -1.719 1.567 1.00 0.00 C ATOM 1438 O ILE A 98 10.682 -2.757 1.549 1.00 0.00 O ATOM 1439 CB ILE A 98 7.948 -2.500 2.717 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.444 -2.743 2.570 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.240 -1.705 3.982 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.646 -1.475 2.358 1.00 0.00 C ATOM 0 H ILE A 98 8.514 -3.289 0.042 1.00 0.00 H new ATOM 0 HA ILE A 98 8.107 -0.747 1.469 1.00 0.00 H new ATOM 0 HB ILE A 98 8.446 -3.466 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.273 -3.415 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.077 -3.249 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.845 -2.239 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.317 -1.581 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.767 -0.725 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.589 -1.722 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.787 -0.810 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.986 -0.978 1.449 1.00 0.00 H new ATOM 1454 N SER A 99 10.567 -0.512 1.661 1.00 0.00 N ATOM 1455 CA SER A 99 12.011 -0.334 1.750 1.00 0.00 C ATOM 1456 C SER A 99 12.360 0.822 2.682 1.00 0.00 C ATOM 1457 O SER A 99 11.536 1.703 2.930 1.00 0.00 O ATOM 1458 CB SER A 99 12.602 -0.080 0.363 1.00 0.00 C ATOM 1459 OG SER A 99 12.468 -1.223 -0.466 1.00 0.00 O ATOM 0 H SER A 99 10.033 0.357 1.677 1.00 0.00 H new ATOM 0 HA SER A 99 12.439 -1.250 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.100 0.770 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.655 0.184 0.456 1.00 0.00 H new ATOM 0 HG SER A 99 12.852 -1.034 -1.348 1.00 0.00 H new ATOM 1465 N HIS A 100 13.585 0.812 3.196 1.00 0.00 N ATOM 1466 CA HIS A 100 14.043 1.861 4.101 1.00 0.00 C ATOM 1467 C HIS A 100 14.301 3.157 3.342 1.00 0.00 C ATOM 1468 O HIS A 100 14.999 3.166 2.327 1.00 0.00 O ATOM 1469 CB HIS A 100 15.315 1.418 4.826 1.00 0.00 C ATOM 1470 CG HIS A 100 15.127 0.200 5.676 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.062 -1.082 5.176 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.989 0.085 7.021 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.889 -1.918 6.209 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.838 -1.260 7.352 1.00 0.00 N ATOM 0 H HIS A 100 14.279 0.090 3.002 1.00 0.00 H new ATOM 0 HA HIS A 100 13.259 2.041 4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.093 1.220 4.089 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.670 2.237 5.452 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.995 0.906 7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.803 -2.991 6.118 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.714 -1.654 8.284 1.00 0.00 H new ATOM 1482 N ILE A 101 13.734 4.252 3.840 1.00 0.00 N ATOM 1483 CA ILE A 101 13.904 5.554 3.207 1.00 0.00 C ATOM 1484 C ILE A 101 15.326 6.078 3.406 1.00 0.00 C ATOM 1485 O ILE A 101 15.867 6.020 4.510 1.00 0.00 O ATOM 1486 CB ILE A 101 12.906 6.586 3.768 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.486 6.016 3.752 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.974 7.878 2.968 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.445 6.973 4.291 1.00 0.00 C ATOM 0 H ILE A 101 13.154 4.263 4.679 1.00 0.00 H new ATOM 0 HA ILE A 101 13.713 5.417 2.143 1.00 0.00 H new ATOM 0 HB ILE A 101 13.176 6.807 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.224 5.744 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.464 5.099 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.263 8.597 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.981 8.290 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.726 7.674 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.462 6.503 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.683 7.225 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.438 7.881 3.688 1.00 0.00 H new ATOM 1501 N PRO A 102 15.955 6.602 2.337 1.00 0.00 N ATOM 1502 CA PRO A 102 17.319 7.135 2.410 1.00 0.00 C ATOM 1503 C PRO A 102 17.477 8.170 3.520 1.00 0.00 C ATOM 1504 O PRO A 102 16.498 8.766 3.970 1.00 0.00 O ATOM 1505 CB PRO A 102 17.524 7.788 1.041 1.00 0.00 C ATOM 1506 CG PRO A 102 16.581 7.074 0.136 1.00 0.00 C ATOM 1507 CD PRO A 102 15.390 6.715 0.979 1.00 0.00 C ATOM 0 HA PRO A 102 18.047 6.356 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.308 8.856 1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.555 7.682 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.289 7.707 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.044 6.182 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.616 7.481 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.935 5.780 0.654 1.00 0.00 H new