USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=12 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 42 ASN : amide:sc= 0.592 K(o=1.3,f=-2.5!) USER MOD Set 1.2: A 99 SER OG : rot 169:sc= 0.667 USER MOD Set 2.1: A 74 ASN : amide:sc= 0 X(o=0,f=0.078) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 72 ASN :FLIP amide:sc= -0.116 X(o=-2.3,f=-2) USER MOD Set 3.2: A 73 ASN :FLIP amide:sc= -1.89 F(o=-2.8,f=-2) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 44 GLN : amide:sc= -2.56 K(o=-2.6,f=-9.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 26:sc= 1.14 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 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= -1.25 USER MOD Single : A 85 CYS SG : rot -108:sc= -0.917 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= -0.0164 (180deg=-0.129) USER MOD Single : A 89 HIS : no HE2:sc= -4.02! C(o=-4!,f=-8.8!) USER MOD Single : A 96 GLN : amide:sc= -0.394 K(o=-0.39,f=-2.3!) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc=-0.00155 (180deg=-0.0678) USER MOD Single : A 100 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.0029) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.797 -9.216 5.878 1.00 0.00 N ATOM 368 CA LEU A 29 8.906 -7.927 6.552 1.00 0.00 C ATOM 369 C LEU A 29 9.375 -8.102 7.993 1.00 0.00 C ATOM 370 O LEU A 29 8.896 -7.423 8.900 1.00 0.00 O ATOM 371 CB LEU A 29 7.560 -7.200 6.528 1.00 0.00 C ATOM 372 CG LEU A 29 7.284 -6.388 5.261 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.846 -5.895 5.248 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.252 -5.219 5.157 1.00 0.00 C ATOM 0 HA LEU A 29 9.645 -7.329 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.765 -7.936 6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.510 -6.531 7.387 1.00 0.00 H new ATOM 0 HG LEU A 29 7.433 -7.035 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.667 -5.319 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.169 -6.748 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.670 -5.263 6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.042 -4.652 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.135 -4.571 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.274 -5.595 5.121 1.00 0.00 H new ATOM 386 N PHE A 30 10.315 -9.018 8.197 1.00 0.00 N ATOM 387 CA PHE A 30 10.849 -9.283 9.527 1.00 0.00 C ATOM 388 C PHE A 30 11.935 -8.274 9.890 1.00 0.00 C ATOM 389 O PHE A 30 12.130 -7.953 11.061 1.00 0.00 O ATOM 390 CB PHE A 30 11.410 -10.704 9.597 1.00 0.00 C ATOM 391 CG PHE A 30 11.395 -11.287 10.980 1.00 0.00 C ATOM 392 CD1 PHE A 30 10.195 -11.530 11.630 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.579 -11.595 11.631 1.00 0.00 C ATOM 394 CE1 PHE A 30 10.177 -12.067 12.903 1.00 0.00 C ATOM 395 CE2 PHE A 30 12.568 -12.132 12.905 1.00 0.00 C ATOM 396 CZ PHE A 30 11.365 -12.369 13.541 1.00 0.00 C ATOM 0 H PHE A 30 10.723 -9.590 7.457 1.00 0.00 H new ATOM 0 HA PHE A 30 10.035 -9.184 10.246 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.832 -11.347 8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.434 -10.700 9.224 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.263 -11.297 11.136 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.522 -11.413 11.137 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.235 -12.251 13.399 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.498 -12.366 13.402 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.353 -12.790 14.536 1.00 0.00 H new ATOM 406 N ASP A 31 12.638 -7.778 8.877 1.00 0.00 N ATOM 407 CA ASP A 31 13.703 -6.806 9.090 1.00 0.00 C ATOM 408 C ASP A 31 13.132 -5.410 9.324 1.00 0.00 C ATOM 409 O ASP A 31 13.743 -4.585 10.002 1.00 0.00 O ATOM 410 CB ASP A 31 14.652 -6.787 7.890 1.00 0.00 C ATOM 411 CG ASP A 31 16.109 -6.750 8.305 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.492 -5.820 9.046 1.00 0.00 O ATOM 413 OD2 ASP A 31 16.869 -7.650 7.890 1.00 0.00 O ATOM 0 H ASP A 31 12.489 -8.033 7.901 1.00 0.00 H new ATOM 0 HA ASP A 31 14.258 -7.104 9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.474 -7.670 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.432 -5.918 7.270 1.00 0.00 H new ATOM 418 N PHE A 32 11.957 -5.152 8.757 1.00 0.00 N ATOM 419 CA PHE A 32 11.307 -3.855 8.904 1.00 0.00 C ATOM 420 C PHE A 32 10.636 -3.736 10.269 1.00 0.00 C ATOM 421 O PHE A 32 9.694 -4.467 10.575 1.00 0.00 O ATOM 422 CB PHE A 32 10.274 -3.651 7.795 1.00 0.00 C ATOM 423 CG PHE A 32 10.883 -3.343 6.457 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.474 -4.345 5.704 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.864 -2.053 5.953 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.034 -4.065 4.472 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.423 -1.767 4.722 1.00 0.00 C ATOM 428 CZ PHE A 32 12.010 -2.775 3.980 1.00 0.00 C ATOM 0 H PHE A 32 11.437 -5.823 8.192 1.00 0.00 H new ATOM 0 HA PHE A 32 12.071 -3.081 8.826 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.663 -4.550 7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.606 -2.837 8.077 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.497 -5.356 6.084 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.407 -1.262 6.529 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.490 -4.855 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.401 -0.757 4.340 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.449 -2.554 3.018 1.00 0.00 H new ATOM 438 N HIS A 33 11.128 -2.809 11.085 1.00 0.00 N ATOM 439 CA HIS A 33 10.576 -2.593 12.418 1.00 0.00 C ATOM 440 C HIS A 33 9.461 -1.553 12.382 1.00 0.00 C ATOM 441 O HIS A 33 9.338 -0.791 11.423 1.00 0.00 O ATOM 442 CB HIS A 33 11.679 -2.149 13.382 1.00 0.00 C ATOM 443 CG HIS A 33 11.993 -3.162 14.438 1.00 0.00 C ATOM 444 ND1 HIS A 33 11.057 -3.690 15.299 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.174 -3.748 14.765 1.00 0.00 C ATOM 446 CE1 HIS A 33 11.681 -4.559 16.104 1.00 0.00 C ATOM 447 NE2 HIS A 33 12.968 -4.631 15.821 1.00 0.00 N ATOM 0 H HIS A 33 11.907 -2.196 10.847 1.00 0.00 H new ATOM 0 HA HIS A 33 10.155 -3.535 12.770 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.584 -1.937 12.813 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.378 -1.217 13.861 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.122 -3.559 14.283 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.195 -5.127 16.883 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.667 -5.214 16.281 1.00 0.00 H new ATOM 455 N ILE A 34 8.650 -1.526 13.436 1.00 0.00 N ATOM 456 CA ILE A 34 7.546 -0.581 13.526 1.00 0.00 C ATOM 457 C ILE A 34 8.023 0.775 14.037 1.00 0.00 C ATOM 458 O ILE A 34 8.855 0.851 14.942 1.00 0.00 O ATOM 459 CB ILE A 34 6.434 -1.103 14.456 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.060 -2.539 14.084 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.214 -0.197 14.386 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.498 -2.674 12.685 1.00 0.00 C ATOM 0 H ILE A 34 8.738 -2.149 14.239 1.00 0.00 H new ATOM 0 HA ILE A 34 7.145 -0.467 12.519 1.00 0.00 H new ATOM 0 HB ILE A 34 6.807 -1.098 15.480 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.943 -3.171 14.175 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.327 -2.912 14.799 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.438 -0.580 15.049 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.491 0.811 14.696 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.838 -0.172 13.363 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.255 -3.718 12.490 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.596 -2.069 12.595 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.238 -2.332 11.961 1.00 0.00 H new ATOM 474 N GLY A 35 7.492 1.843 13.451 1.00 0.00 N ATOM 475 CA GLY A 35 7.876 3.180 13.859 1.00 0.00 C ATOM 476 C GLY A 35 9.175 3.631 13.221 1.00 0.00 C ATOM 477 O GLY A 35 9.964 4.346 13.841 1.00 0.00 O ATOM 0 H GLY A 35 6.802 1.806 12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.083 3.879 13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.978 3.210 14.944 1.00 0.00 H new ATOM 481 N ASP A 36 9.398 3.214 11.979 1.00 0.00 N ATOM 482 CA ASP A 36 10.611 3.580 11.256 1.00 0.00 C ATOM 483 C ASP A 36 10.279 4.078 9.853 1.00 0.00 C ATOM 484 O ASP A 36 9.272 3.683 9.266 1.00 0.00 O ATOM 485 CB ASP A 36 11.559 2.382 11.173 1.00 0.00 C ATOM 486 CG ASP A 36 12.313 2.149 12.467 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.064 3.054 12.889 1.00 0.00 O ATOM 488 OD2 ASP A 36 12.151 1.062 13.061 1.00 0.00 O ATOM 0 H ASP A 36 8.755 2.623 11.452 1.00 0.00 H new ATOM 0 HA ASP A 36 11.101 4.387 11.802 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.988 1.488 10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.272 2.542 10.364 1.00 0.00 H new ATOM 493 N ARG A 37 11.131 4.949 9.324 1.00 0.00 N ATOM 494 CA ARG A 37 10.928 5.502 7.989 1.00 0.00 C ATOM 495 C ARG A 37 10.977 4.402 6.933 1.00 0.00 C ATOM 496 O ARG A 37 11.899 3.586 6.915 1.00 0.00 O ATOM 497 CB ARG A 37 11.988 6.563 7.687 1.00 0.00 C ATOM 498 CG ARG A 37 11.885 7.794 8.572 1.00 0.00 C ATOM 499 CD ARG A 37 13.129 8.662 8.465 1.00 0.00 C ATOM 500 NE ARG A 37 12.972 9.932 9.169 1.00 0.00 N ATOM 501 CZ ARG A 37 12.980 10.051 10.494 1.00 0.00 C ATOM 502 NH1 ARG A 37 13.136 8.979 11.262 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.834 11.244 11.054 1.00 0.00 N ATOM 0 H ARG A 37 11.968 5.287 9.798 1.00 0.00 H new ATOM 0 HA ARG A 37 9.942 5.966 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.977 6.121 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.899 6.867 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.008 8.376 8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.742 7.488 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.983 8.123 8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.348 8.854 7.415 1.00 0.00 H new ATOM 0 HE ARG A 37 12.849 10.778 8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.250 8.059 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.141 9.076 12.277 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.715 12.071 10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.840 11.335 12.070 1.00 0.00 H new ATOM 517 N VAL A 38 9.980 4.386 6.055 1.00 0.00 N ATOM 518 CA VAL A 38 9.911 3.387 4.996 1.00 0.00 C ATOM 519 C VAL A 38 9.290 3.968 3.730 1.00 0.00 C ATOM 520 O VAL A 38 8.243 4.614 3.780 1.00 0.00 O ATOM 521 CB VAL A 38 9.095 2.158 5.436 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.837 1.379 6.511 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.719 2.579 5.928 1.00 0.00 C ATOM 0 H VAL A 38 9.209 5.054 6.056 1.00 0.00 H new ATOM 0 HA VAL A 38 10.935 3.079 4.786 1.00 0.00 H new ATOM 0 HB VAL A 38 8.964 1.505 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.244 0.514 6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.797 1.043 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.003 2.021 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.157 1.697 6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.827 3.254 6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.186 3.088 5.125 1.00 0.00 H new ATOM 533 N LEU A 39 9.943 3.732 2.597 1.00 0.00 N ATOM 534 CA LEU A 39 9.457 4.230 1.316 1.00 0.00 C ATOM 535 C LEU A 39 8.659 3.154 0.585 1.00 0.00 C ATOM 536 O LEU A 39 9.185 2.089 0.261 1.00 0.00 O ATOM 537 CB LEU A 39 10.628 4.691 0.447 1.00 0.00 C ATOM 538 CG LEU A 39 10.293 5.788 -0.564 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.682 6.991 0.138 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.537 6.196 -1.339 1.00 0.00 C ATOM 0 H LEU A 39 10.811 3.199 2.540 1.00 0.00 H new ATOM 0 HA LEU A 39 8.801 5.079 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.425 5.050 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.021 3.829 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 39 9.562 5.395 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.450 7.762 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.767 6.689 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.390 7.386 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.280 6.978 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.290 6.571 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.933 5.332 -1.873 1.00 0.00 H new ATOM 552 N ILE A 40 7.387 3.438 0.325 1.00 0.00 N ATOM 553 CA ILE A 40 6.520 2.495 -0.369 1.00 0.00 C ATOM 554 C ILE A 40 6.728 2.565 -1.877 1.00 0.00 C ATOM 555 O ILE A 40 6.397 3.566 -2.513 1.00 0.00 O ATOM 556 CB ILE A 40 5.035 2.756 -0.055 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.828 2.904 1.454 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.170 1.633 -0.605 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.502 3.535 1.822 1.00 0.00 C ATOM 0 H ILE A 40 6.934 4.314 0.585 1.00 0.00 H new ATOM 0 HA ILE A 40 6.788 1.501 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 40 4.737 3.687 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.896 1.921 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.636 3.508 1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.124 1.833 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.298 1.571 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.467 0.688 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.423 3.609 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.439 4.532 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.688 2.919 1.440 1.00 0.00 H new ATOM 571 N GLY A 41 7.279 1.497 -2.444 1.00 0.00 N ATOM 572 CA GLY A 41 7.523 1.458 -3.874 1.00 0.00 C ATOM 573 C GLY A 41 8.536 2.495 -4.320 1.00 0.00 C ATOM 574 O GLY A 41 8.589 2.852 -5.497 1.00 0.00 O ATOM 0 H GLY A 41 7.561 0.657 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.878 0.466 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.584 1.621 -4.404 1.00 0.00 H new ATOM 578 N ASN A 42 9.343 2.980 -3.380 1.00 0.00 N ATOM 579 CA ASN A 42 10.359 3.982 -3.685 1.00 0.00 C ATOM 580 C ASN A 42 9.733 5.223 -4.318 1.00 0.00 C ATOM 581 O ASN A 42 10.188 5.699 -5.358 1.00 0.00 O ATOM 582 CB ASN A 42 11.417 3.393 -4.622 1.00 0.00 C ATOM 583 CG ASN A 42 12.133 2.205 -4.011 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.609 1.091 -3.996 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.337 2.436 -3.502 1.00 0.00 N ATOM 0 H ASN A 42 9.313 2.695 -2.401 1.00 0.00 H new ATOM 0 HA ASN A 42 10.834 4.278 -2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.943 3.088 -5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.146 4.164 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.866 1.674 -3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.733 3.375 -3.536 1.00 0.00 H new ATOM 592 N VAL A 43 8.686 5.740 -3.684 1.00 0.00 N ATOM 593 CA VAL A 43 7.999 6.925 -4.185 1.00 0.00 C ATOM 594 C VAL A 43 7.090 7.529 -3.119 1.00 0.00 C ATOM 595 O VAL A 43 7.049 8.746 -2.941 1.00 0.00 O ATOM 596 CB VAL A 43 7.164 6.599 -5.440 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.077 5.586 -5.115 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.565 7.868 -6.030 1.00 0.00 C ATOM 0 H VAL A 43 8.295 5.358 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 43 8.769 7.650 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 43 7.825 6.157 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.500 5.370 -6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.534 4.667 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.417 5.994 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.980 7.617 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.920 8.344 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.366 8.553 -6.307 1.00 0.00 H new ATOM 608 N GLN A 44 6.360 6.671 -2.414 1.00 0.00 N ATOM 609 CA GLN A 44 5.450 7.120 -1.366 1.00 0.00 C ATOM 610 C GLN A 44 6.086 6.970 0.014 1.00 0.00 C ATOM 611 O GLN A 44 6.108 5.876 0.579 1.00 0.00 O ATOM 612 CB GLN A 44 4.143 6.328 -1.426 1.00 0.00 C ATOM 613 CG GLN A 44 3.192 6.804 -2.512 1.00 0.00 C ATOM 614 CD GLN A 44 1.793 7.067 -1.989 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.446 6.663 -0.879 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.981 7.747 -2.790 1.00 0.00 N ATOM 0 H GLN A 44 6.381 5.660 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 44 5.238 8.176 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.373 5.276 -1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.642 6.396 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.586 7.716 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.145 6.055 -3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.311 8.063 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.027 7.954 -2.493 1.00 0.00 H new ATOM 625 N PRO A 45 6.615 8.069 0.582 1.00 0.00 N ATOM 626 CA PRO A 45 7.251 8.046 1.903 1.00 0.00 C ATOM 627 C PRO A 45 6.242 7.851 3.029 1.00 0.00 C ATOM 628 O PRO A 45 5.072 8.211 2.896 1.00 0.00 O ATOM 629 CB PRO A 45 7.907 9.425 2.006 1.00 0.00 C ATOM 630 CG PRO A 45 7.094 10.296 1.114 1.00 0.00 C ATOM 631 CD PRO A 45 6.636 9.419 -0.017 1.00 0.00 C ATOM 0 HA PRO A 45 7.952 7.217 2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.899 9.792 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.949 9.393 1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.244 10.717 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.684 11.134 0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.651 9.713 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.317 9.471 -0.867 1.00 0.00 H new ATOM 639 N GLY A 46 6.702 7.279 4.136 1.00 0.00 N ATOM 640 CA GLY A 46 5.826 7.046 5.270 1.00 0.00 C ATOM 641 C GLY A 46 6.496 6.239 6.364 1.00 0.00 C ATOM 642 O GLY A 46 7.632 5.789 6.206 1.00 0.00 O ATOM 0 H GLY A 46 7.666 6.972 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.501 8.004 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.931 6.522 4.933 1.00 0.00 H new ATOM 646 N ILE A 47 5.794 6.053 7.477 1.00 0.00 N ATOM 647 CA ILE A 47 6.328 5.295 8.601 1.00 0.00 C ATOM 648 C ILE A 47 5.610 3.959 8.754 1.00 0.00 C ATOM 649 O ILE A 47 4.383 3.890 8.682 1.00 0.00 O ATOM 650 CB ILE A 47 6.206 6.083 9.919 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.732 7.508 9.739 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.958 5.372 11.033 1.00 0.00 C ATOM 653 CD1 ILE A 47 6.367 8.436 10.876 1.00 0.00 C ATOM 0 H ILE A 47 4.853 6.418 7.624 1.00 0.00 H new ATOM 0 HA ILE A 47 7.382 5.116 8.389 1.00 0.00 H new ATOM 0 HB ILE A 47 5.153 6.138 10.195 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.817 7.476 9.641 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.340 7.916 8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.862 5.941 11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.540 4.375 11.176 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.011 5.289 10.766 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.773 9.428 10.680 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.282 8.498 10.961 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.782 8.051 11.807 1.00 0.00 H new ATOM 665 N LEU A 48 6.383 2.899 8.964 1.00 0.00 N ATOM 666 CA LEU A 48 5.823 1.563 9.128 1.00 0.00 C ATOM 667 C LEU A 48 5.069 1.448 10.450 1.00 0.00 C ATOM 668 O LEU A 48 5.678 1.391 11.519 1.00 0.00 O ATOM 669 CB LEU A 48 6.931 0.511 9.067 1.00 0.00 C ATOM 670 CG LEU A 48 6.454 -0.939 9.154 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.680 -1.323 7.902 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.634 -1.876 9.361 1.00 0.00 C ATOM 0 H LEU A 48 7.400 2.940 9.025 1.00 0.00 H new ATOM 0 HA LEU A 48 5.121 1.388 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.483 0.640 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.632 0.696 9.881 1.00 0.00 H new ATOM 0 HG LEU A 48 5.787 -1.031 10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.349 -2.358 7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.813 -0.672 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.323 -1.215 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.276 -2.904 9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.326 -1.781 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.147 -1.616 10.287 1.00 0.00 H new ATOM 684 N ARG A 49 3.743 1.416 10.370 1.00 0.00 N ATOM 685 CA ARG A 49 2.909 1.309 11.562 1.00 0.00 C ATOM 686 C ARG A 49 2.519 -0.142 11.826 1.00 0.00 C ATOM 687 O ARG A 49 2.378 -0.557 12.976 1.00 0.00 O ATOM 688 CB ARG A 49 1.651 2.168 11.410 1.00 0.00 C ATOM 689 CG ARG A 49 1.904 3.657 11.583 1.00 0.00 C ATOM 690 CD ARG A 49 2.576 3.961 12.915 1.00 0.00 C ATOM 691 NE ARG A 49 1.852 4.979 13.673 1.00 0.00 N ATOM 692 CZ ARG A 49 0.806 4.721 14.455 1.00 0.00 C ATOM 693 NH1 ARG A 49 0.350 3.480 14.581 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.212 5.707 15.113 1.00 0.00 N ATOM 0 H ARG A 49 3.223 1.463 9.494 1.00 0.00 H new ATOM 0 HA ARG A 49 3.487 1.671 12.412 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.220 1.994 10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.911 1.846 12.143 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.532 4.017 10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.959 4.197 11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.641 3.047 13.505 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.597 4.299 12.737 1.00 0.00 H new ATOM 0 HE ARG A 49 2.167 5.946 13.598 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.802 2.717 14.077 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.452 3.290 15.182 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.557 6.663 15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.590 5.510 15.712 1.00 0.00 H new ATOM 708 N PHE A 50 2.345 -0.907 10.754 1.00 0.00 N ATOM 709 CA PHE A 50 1.969 -2.312 10.871 1.00 0.00 C ATOM 710 C PHE A 50 2.524 -3.123 9.704 1.00 0.00 C ATOM 711 O PHE A 50 2.774 -2.585 8.626 1.00 0.00 O ATOM 712 CB PHE A 50 0.447 -2.451 10.925 1.00 0.00 C ATOM 713 CG PHE A 50 -0.021 -3.870 11.078 1.00 0.00 C ATOM 714 CD1 PHE A 50 0.333 -4.614 12.192 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.814 -4.462 10.108 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.095 -5.920 12.337 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.245 -5.767 10.245 1.00 0.00 C ATOM 718 CZ PHE A 50 -0.885 -6.497 11.362 1.00 0.00 C ATOM 0 H PHE A 50 2.458 -0.579 9.795 1.00 0.00 H new ATOM 0 HA PHE A 50 2.396 -2.701 11.796 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.066 -1.859 11.757 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.019 -2.032 10.014 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.951 -4.168 12.957 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.099 -3.896 9.234 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.188 -6.488 13.211 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.862 -6.216 9.481 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.221 -7.517 11.472 1.00 0.00 H new ATOM 728 N LYS A 51 2.715 -4.419 9.927 1.00 0.00 N ATOM 729 CA LYS A 51 3.239 -5.304 8.894 1.00 0.00 C ATOM 730 C LYS A 51 3.050 -6.767 9.284 1.00 0.00 C ATOM 731 O LYS A 51 3.766 -7.289 10.139 1.00 0.00 O ATOM 732 CB LYS A 51 4.721 -5.017 8.651 1.00 0.00 C ATOM 733 CG LYS A 51 5.563 -5.054 9.918 1.00 0.00 C ATOM 734 CD LYS A 51 6.694 -6.064 9.811 1.00 0.00 C ATOM 735 CE LYS A 51 7.283 -6.392 11.174 1.00 0.00 C ATOM 736 NZ LYS A 51 7.117 -7.831 11.519 1.00 0.00 N ATOM 0 H LYS A 51 2.514 -4.880 10.815 1.00 0.00 H new ATOM 0 HA LYS A 51 2.684 -5.117 7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.113 -5.747 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.821 -4.036 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.976 -4.064 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.930 -5.305 10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.324 -6.977 9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.475 -5.669 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.343 -6.137 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.801 -5.778 11.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.531 -8.014 12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.105 -8.069 11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.599 -8.416 10.807 1.00 0.00 H new ATOM 750 N GLY A 52 2.082 -7.423 8.652 1.00 0.00 N ATOM 751 CA GLY A 52 1.818 -8.819 8.946 1.00 0.00 C ATOM 752 C GLY A 52 0.519 -9.305 8.337 1.00 0.00 C ATOM 753 O GLY A 52 -0.042 -8.655 7.455 1.00 0.00 O ATOM 0 H GLY A 52 1.476 -7.013 7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.641 -9.428 8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.784 -8.959 10.026 1.00 0.00 H new ATOM 757 N GLU A 53 0.038 -10.451 8.807 1.00 0.00 N ATOM 758 CA GLU A 53 -1.204 -11.024 8.303 1.00 0.00 C ATOM 759 C GLU A 53 -2.410 -10.229 8.794 1.00 0.00 C ATOM 760 O GLU A 53 -2.438 -9.768 9.935 1.00 0.00 O ATOM 761 CB GLU A 53 -1.331 -12.485 8.739 1.00 0.00 C ATOM 762 CG GLU A 53 -0.210 -13.373 8.222 1.00 0.00 C ATOM 763 CD GLU A 53 0.289 -14.350 9.268 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.506 -14.733 10.151 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.476 -14.732 9.204 1.00 0.00 O ATOM 0 H GLU A 53 0.490 -11.002 9.537 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.179 -10.977 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.347 -12.531 9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.286 -12.878 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.562 -13.927 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.619 -12.749 7.889 1.00 0.00 H new ATOM 772 N THR A 54 -3.403 -10.072 7.926 1.00 0.00 N ATOM 773 CA THR A 54 -4.611 -9.332 8.270 1.00 0.00 C ATOM 774 C THR A 54 -5.835 -10.240 8.224 1.00 0.00 C ATOM 775 O THR A 54 -5.723 -11.437 7.959 1.00 0.00 O ATOM 776 CB THR A 54 -4.801 -8.150 7.318 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.757 -8.580 5.969 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.756 -7.069 7.489 1.00 0.00 C ATOM 0 H THR A 54 -3.395 -10.448 6.978 1.00 0.00 H new ATOM 0 HA THR A 54 -4.499 -8.954 9.286 1.00 0.00 H new ATOM 0 HB THR A 54 -5.776 -7.733 7.568 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.021 -9.522 5.917 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.950 -6.261 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.798 -6.680 8.506 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.767 -7.486 7.300 1.00 0.00 H new ATOM 786 N SER A 55 -7.005 -9.663 8.483 1.00 0.00 N ATOM 787 CA SER A 55 -8.251 -10.420 8.469 1.00 0.00 C ATOM 788 C SER A 55 -8.988 -10.232 7.147 1.00 0.00 C ATOM 789 O SER A 55 -9.672 -11.137 6.671 1.00 0.00 O ATOM 790 CB SER A 55 -9.146 -9.991 9.632 1.00 0.00 C ATOM 791 OG SER A 55 -8.465 -10.101 10.869 1.00 0.00 O ATOM 0 H SER A 55 -7.115 -8.674 8.705 1.00 0.00 H new ATOM 0 HA SER A 55 -8.006 -11.476 8.579 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.472 -8.961 9.483 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.043 -10.610 9.651 1.00 0.00 H new ATOM 0 HG SER A 55 -9.059 -9.819 11.596 1.00 0.00 H new ATOM 797 N PHE A 56 -8.843 -9.048 6.561 1.00 0.00 N ATOM 798 CA PHE A 56 -9.495 -8.737 5.294 1.00 0.00 C ATOM 799 C PHE A 56 -8.793 -9.436 4.134 1.00 0.00 C ATOM 800 O PHE A 56 -9.440 -9.947 3.220 1.00 0.00 O ATOM 801 CB PHE A 56 -9.509 -7.227 5.061 1.00 0.00 C ATOM 802 CG PHE A 56 -8.137 -6.621 4.970 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.481 -6.541 3.751 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.503 -6.134 6.101 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.219 -5.985 3.664 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.240 -5.578 6.020 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.598 -5.503 4.800 1.00 0.00 C ATOM 0 H PHE A 56 -8.280 -8.288 6.943 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.522 -9.099 5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.053 -7.015 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.056 -6.747 5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.962 -6.917 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.001 -6.189 7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.719 -5.927 2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.756 -5.203 6.910 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.612 -5.068 4.734 1.00 0.00 H new ATOM 817 N ALA A 57 -7.465 -9.451 4.176 1.00 0.00 N ATOM 818 CA ALA A 57 -6.674 -10.086 3.129 1.00 0.00 C ATOM 819 C ALA A 57 -5.592 -10.983 3.723 1.00 0.00 C ATOM 820 O ALA A 57 -5.152 -10.775 4.854 1.00 0.00 O ATOM 821 CB ALA A 57 -6.051 -9.032 2.227 1.00 0.00 C ATOM 0 H ALA A 57 -6.914 -9.030 4.924 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.340 -10.711 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.463 -9.520 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.839 -8.436 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.404 -8.384 2.818 1.00 0.00 H new ATOM 827 N LYS A 58 -5.168 -11.979 2.952 1.00 0.00 N ATOM 828 CA LYS A 58 -4.138 -12.908 3.403 1.00 0.00 C ATOM 829 C LYS A 58 -2.746 -12.382 3.063 1.00 0.00 C ATOM 830 O LYS A 58 -2.605 -11.375 2.370 1.00 0.00 O ATOM 831 CB LYS A 58 -4.347 -14.282 2.766 1.00 0.00 C ATOM 832 CG LYS A 58 -4.186 -14.285 1.254 1.00 0.00 C ATOM 833 CD LYS A 58 -2.877 -14.933 0.832 1.00 0.00 C ATOM 834 CE LYS A 58 -2.530 -14.602 -0.610 1.00 0.00 C ATOM 835 NZ LYS A 58 -1.066 -14.406 -0.800 1.00 0.00 N ATOM 0 H LYS A 58 -5.521 -12.163 2.013 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.217 -13.003 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.636 -14.986 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.345 -14.641 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.020 -14.819 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.223 -13.261 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.074 -14.594 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.950 -16.014 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.876 -15.406 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.059 -13.698 -0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.872 -14.182 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.740 -13.622 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.562 -15.277 -0.537 1.00 0.00 H new ATOM 849 N GLY A 59 -1.722 -13.072 3.556 1.00 0.00 N ATOM 850 CA GLY A 59 -0.356 -12.659 3.292 1.00 0.00 C ATOM 851 C GLY A 59 0.069 -11.481 4.145 1.00 0.00 C ATOM 852 O GLY A 59 -0.660 -11.059 5.042 1.00 0.00 O ATOM 0 H GLY A 59 -1.814 -13.908 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.316 -13.498 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.256 -12.396 2.239 1.00 0.00 H new ATOM 856 N PHE A 60 1.254 -10.948 3.866 1.00 0.00 N ATOM 857 CA PHE A 60 1.777 -9.811 4.613 1.00 0.00 C ATOM 858 C PHE A 60 1.192 -8.500 4.093 1.00 0.00 C ATOM 859 O PHE A 60 0.986 -8.335 2.891 1.00 0.00 O ATOM 860 CB PHE A 60 3.305 -9.774 4.521 1.00 0.00 C ATOM 861 CG PHE A 60 3.994 -10.331 5.734 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.000 -11.695 5.979 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.636 -9.491 6.629 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.634 -12.210 7.093 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.272 -10.000 7.745 1.00 0.00 C ATOM 866 CZ PHE A 60 5.271 -11.361 7.978 1.00 0.00 C ATOM 0 H PHE A 60 1.871 -11.286 3.127 1.00 0.00 H new ATOM 0 HA PHE A 60 1.485 -9.928 5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.622 -10.337 3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.627 -8.743 4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.503 -12.363 5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.639 -8.426 6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.632 -13.275 7.272 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.769 -9.334 8.434 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.767 -11.761 8.850 1.00 0.00 H new ATOM 876 N TRP A 61 0.930 -7.573 5.008 1.00 0.00 N ATOM 877 CA TRP A 61 0.372 -6.276 4.644 1.00 0.00 C ATOM 878 C TRP A 61 0.975 -5.169 5.501 1.00 0.00 C ATOM 879 O TRP A 61 0.724 -5.094 6.704 1.00 0.00 O ATOM 880 CB TRP A 61 -1.149 -6.288 4.802 1.00 0.00 C ATOM 881 CG TRP A 61 -1.848 -7.119 3.770 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.413 -8.349 3.953 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.057 -6.783 2.394 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.959 -8.799 2.775 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.753 -7.854 1.803 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.722 -5.679 1.603 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -3.121 -7.854 0.460 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.087 -5.680 0.271 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.781 -6.761 -0.290 1.00 0.00 C ATOM 0 H TRP A 61 1.095 -7.696 6.007 1.00 0.00 H new ATOM 0 HA TRP A 61 0.619 -6.081 3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.401 -6.665 5.793 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.521 -5.265 4.747 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.428 -8.889 4.888 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.439 -9.690 2.645 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.188 -4.841 2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.655 -8.686 0.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.833 -4.833 -0.349 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.053 -6.731 -1.335 1.00 0.00 H new ATOM 900 N ALA A 62 1.775 -4.312 4.875 1.00 0.00 N ATOM 901 CA ALA A 62 2.416 -3.210 5.582 1.00 0.00 C ATOM 902 C ALA A 62 1.554 -1.953 5.545 1.00 0.00 C ATOM 903 O ALA A 62 1.272 -1.414 4.476 1.00 0.00 O ATOM 904 CB ALA A 62 3.788 -2.929 4.988 1.00 0.00 C ATOM 0 H ALA A 62 1.995 -4.360 3.880 1.00 0.00 H new ATOM 0 HA ALA A 62 2.536 -3.504 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.255 -2.104 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.412 -3.819 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.682 -2.663 3.936 1.00 0.00 H new ATOM 910 N GLY A 63 1.141 -1.490 6.722 1.00 0.00 N ATOM 911 CA GLY A 63 0.317 -0.299 6.801 1.00 0.00 C ATOM 912 C GLY A 63 1.126 0.940 7.129 1.00 0.00 C ATOM 913 O GLY A 63 1.216 1.344 8.288 1.00 0.00 O ATOM 0 H GLY A 63 1.363 -1.919 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.198 -0.153 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.451 -0.441 7.562 1.00 0.00 H new ATOM 917 N VAL A 64 1.717 1.543 6.104 1.00 0.00 N ATOM 918 CA VAL A 64 2.526 2.742 6.284 1.00 0.00 C ATOM 919 C VAL A 64 1.654 3.991 6.352 1.00 0.00 C ATOM 920 O VAL A 64 0.676 4.119 5.615 1.00 0.00 O ATOM 921 CB VAL A 64 3.549 2.907 5.143 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.533 4.020 5.463 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.279 1.597 4.887 1.00 0.00 C ATOM 0 H VAL A 64 1.651 1.221 5.139 1.00 0.00 H new ATOM 0 HA VAL A 64 3.059 2.623 7.227 1.00 0.00 H new ATOM 0 HB VAL A 64 3.011 3.180 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.247 4.121 4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.993 4.958 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.066 3.781 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.997 1.733 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.805 1.291 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.559 0.828 4.608 1.00 0.00 H new ATOM 933 N GLU A 65 2.014 4.910 7.242 1.00 0.00 N ATOM 934 CA GLU A 65 1.265 6.151 7.407 1.00 0.00 C ATOM 935 C GLU A 65 1.916 7.286 6.625 1.00 0.00 C ATOM 936 O GLU A 65 2.917 7.857 7.057 1.00 0.00 O ATOM 937 CB GLU A 65 1.173 6.523 8.887 1.00 0.00 C ATOM 938 CG GLU A 65 0.303 7.740 9.156 1.00 0.00 C ATOM 939 CD GLU A 65 1.115 9.010 9.319 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.562 9.566 8.294 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.303 9.451 10.473 1.00 0.00 O ATOM 0 H GLU A 65 2.820 4.819 7.860 1.00 0.00 H new ATOM 0 HA GLU A 65 0.260 5.994 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.776 5.673 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.176 6.713 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.403 7.867 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.285 7.570 10.058 1.00 0.00 H new ATOM 948 N LEU A 66 1.341 7.609 5.471 1.00 0.00 N ATOM 949 CA LEU A 66 1.865 8.677 4.628 1.00 0.00 C ATOM 950 C LEU A 66 1.770 10.026 5.336 1.00 0.00 C ATOM 951 O LEU A 66 0.795 10.304 6.033 1.00 0.00 O ATOM 952 CB LEU A 66 1.104 8.730 3.303 1.00 0.00 C ATOM 953 CG LEU A 66 1.028 7.403 2.546 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.093 7.522 1.353 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.415 6.966 2.098 1.00 0.00 C ATOM 0 H LEU A 66 0.512 7.146 5.098 1.00 0.00 H new ATOM 0 HA LEU A 66 2.915 8.465 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.090 9.078 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.577 9.471 2.659 1.00 0.00 H new ATOM 0 HG LEU A 66 0.629 6.644 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.052 6.568 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.906 7.789 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.462 8.294 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.343 6.020 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.841 7.724 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.056 6.840 2.970 1.00 0.00 H new ATOM 967 N ASP A 67 2.790 10.858 5.152 1.00 0.00 N ATOM 968 CA ASP A 67 2.821 12.176 5.774 1.00 0.00 C ATOM 969 C ASP A 67 1.743 13.080 5.185 1.00 0.00 C ATOM 970 O ASP A 67 1.148 13.895 5.891 1.00 0.00 O ATOM 971 CB ASP A 67 4.196 12.818 5.589 1.00 0.00 C ATOM 972 CG ASP A 67 4.614 13.646 6.788 1.00 0.00 C ATOM 973 OD1 ASP A 67 3.856 14.563 7.171 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.699 13.379 7.345 1.00 0.00 O ATOM 0 H ASP A 67 3.605 10.643 4.578 1.00 0.00 H new ATOM 0 HA ASP A 67 2.626 12.052 6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.937 12.038 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.182 13.450 4.701 1.00 0.00 H new ATOM 979 N LYS A 68 1.495 12.930 3.888 1.00 0.00 N ATOM 980 CA LYS A 68 0.487 13.733 3.204 1.00 0.00 C ATOM 981 C LYS A 68 -0.661 12.857 2.708 1.00 0.00 C ATOM 982 O LYS A 68 -0.472 11.674 2.425 1.00 0.00 O ATOM 983 CB LYS A 68 1.115 14.484 2.028 1.00 0.00 C ATOM 984 CG LYS A 68 1.646 15.859 2.398 1.00 0.00 C ATOM 985 CD LYS A 68 0.769 16.967 1.838 1.00 0.00 C ATOM 986 CE LYS A 68 0.724 18.168 2.769 1.00 0.00 C ATOM 987 NZ LYS A 68 -0.163 19.244 2.247 1.00 0.00 N ATOM 0 H LYS A 68 1.978 12.260 3.289 1.00 0.00 H new ATOM 0 HA LYS A 68 0.088 14.455 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.930 13.887 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.372 14.591 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.699 15.949 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.662 15.971 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.148 17.275 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.241 16.589 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.372 17.853 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.732 18.561 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.166 20.044 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.187 19.564 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.130 18.877 2.144 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.873 13.429 2.597 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.054 12.694 2.133 1.00 0.00 C ATOM 1003 C PRO A 69 -2.844 12.071 0.757 1.00 0.00 C ATOM 1004 O PRO A 69 -3.200 12.661 -0.263 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.148 13.765 2.072 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.687 14.838 2.996 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.186 14.834 2.915 1.00 0.00 C ATOM 0 HA PRO A 69 -3.295 11.860 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.273 14.144 1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.112 13.363 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.091 15.807 2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.024 14.647 4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.822 15.513 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.731 15.146 3.855 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.263 10.876 0.736 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.005 10.174 -0.516 1.00 0.00 C ATOM 1017 C GLU A 70 -2.224 8.674 -0.353 1.00 0.00 C ATOM 1018 O GLU A 70 -1.579 7.866 -1.022 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.577 10.446 -0.993 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.363 11.866 -1.490 1.00 0.00 C ATOM 1021 CD GLU A 70 -1.008 12.116 -2.840 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -1.285 11.131 -3.556 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -1.236 13.296 -3.178 1.00 0.00 O ATOM 0 H GLU A 70 -1.962 10.374 1.571 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.706 10.545 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.115 10.248 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.331 9.749 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.771 12.567 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.706 12.065 -1.560 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.138 8.307 0.540 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.427 6.905 0.774 1.00 0.00 C ATOM 1032 C GLY A 71 -4.886 6.568 0.539 1.00 0.00 C ATOM 1033 O GLY A 71 -5.535 7.158 -0.325 1.00 0.00 O ATOM 0 H GLY A 71 -3.684 8.957 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.806 6.295 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.158 6.648 1.798 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.405 5.617 1.311 1.00 0.00 N ATOM 1038 CA ASN A 72 -6.796 5.205 1.182 1.00 0.00 C ATOM 1039 C ASN A 72 -7.243 4.404 2.400 1.00 0.00 C ATOM 1040 O ASN A 72 -8.041 3.473 2.285 1.00 0.00 O ATOM 1041 CB ASN A 72 -6.990 4.375 -0.089 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.095 3.152 -0.121 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -4.823 3.356 -0.446 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -6.540 2.035 0.144 1.00 0.00 N flip ATOM 0 H ASN A 72 -4.882 5.119 2.031 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.409 6.104 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.032 4.062 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.784 4.996 -0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.524 1.923 0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.925 1.222 0.119 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.723 4.771 3.566 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.068 4.086 4.807 1.00 0.00 C ATOM 1053 C ASN A 73 -6.807 4.983 6.013 1.00 0.00 C ATOM 1054 O ASN A 73 -6.152 6.018 5.899 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.268 2.789 4.939 1.00 0.00 C ATOM 1056 CG ASN A 73 -6.693 1.741 3.928 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -5.898 1.575 2.877 1.00 0.00 O flip ATOM 1058 ND2 ASN A 73 -7.724 1.089 4.091 1.00 0.00 N flip ATOM 0 H ASN A 73 -6.061 5.539 3.678 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.131 3.847 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.207 3.005 4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.392 2.390 5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.305 1.250 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.998 0.387 3.403 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.323 4.575 7.168 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.144 5.340 8.396 1.00 0.00 C ATOM 1067 C ASN A 74 -6.731 4.430 9.549 1.00 0.00 C ATOM 1068 O ASN A 74 -7.020 4.714 10.711 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.435 6.079 8.754 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.630 5.149 8.830 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -10.212 4.781 7.810 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.004 4.766 10.046 1.00 0.00 N ATOM 0 H ASN A 74 -7.868 3.720 7.279 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.350 6.068 8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.308 6.583 9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.626 6.852 8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.803 4.142 10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.492 5.096 10.864 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.053 3.334 9.220 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.614 2.401 10.240 1.00 0.00 C ATOM 1081 C GLY A 75 -6.605 1.275 10.468 1.00 0.00 C ATOM 1082 O GLY A 75 -6.241 0.214 10.972 1.00 0.00 O ATOM 0 H GLY A 75 -5.801 3.076 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.651 1.979 9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.459 2.938 11.176 1.00 0.00 H new ATOM 1086 N THR A 76 -7.862 1.507 10.100 1.00 0.00 N ATOM 1087 CA THR A 76 -8.906 0.503 10.271 1.00 0.00 C ATOM 1088 C THR A 76 -9.381 -0.027 8.922 1.00 0.00 C ATOM 1089 O THR A 76 -10.127 0.644 8.208 1.00 0.00 O ATOM 1090 CB THR A 76 -10.086 1.093 11.045 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.660 2.161 11.872 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.789 0.082 11.926 1.00 0.00 C ATOM 0 H THR A 76 -8.181 2.381 9.682 1.00 0.00 H new ATOM 0 HA THR A 76 -8.486 -0.328 10.838 1.00 0.00 H new ATOM 0 HB THR A 76 -10.787 1.438 10.285 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.429 2.526 12.357 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.616 0.566 12.447 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.174 -0.731 11.311 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.084 -0.317 12.656 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.944 -1.234 8.582 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.326 -1.857 7.319 1.00 0.00 C ATOM 1102 C TYR A 77 -10.540 -2.761 7.506 1.00 0.00 C ATOM 1103 O TYR A 77 -10.438 -3.840 8.090 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.158 -2.663 6.749 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.253 -2.897 5.258 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.161 -3.810 4.736 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.436 -2.205 4.374 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.251 -4.027 3.375 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.521 -2.415 3.010 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.430 -3.327 2.516 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.517 -3.540 1.160 1.00 0.00 O ATOM 0 H TYR A 77 -8.325 -1.801 9.162 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.588 -1.066 6.616 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.227 -2.141 6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.110 -3.626 7.257 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.807 -4.359 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.722 -1.491 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.961 -4.741 2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.879 -1.868 2.335 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.871 -2.967 0.697 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.688 -2.312 7.009 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.923 -3.080 7.123 1.00 0.00 C ATOM 1123 C ASP A 78 -13.308 -3.278 8.585 1.00 0.00 C ATOM 1124 O ASP A 78 -13.949 -4.268 8.939 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.771 -4.438 6.435 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.115 -4.380 4.959 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -12.372 -3.719 4.202 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.126 -4.994 4.560 1.00 0.00 O ATOM 0 H ASP A 78 -11.789 -1.421 6.524 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.716 -2.518 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.746 -4.789 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.416 -5.166 6.927 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.917 -2.329 9.430 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.234 -2.418 10.843 1.00 0.00 C ATOM 1135 C GLY A 79 -12.038 -2.822 11.682 1.00 0.00 C ATOM 1136 O GLY A 79 -11.921 -2.422 12.841 1.00 0.00 O ATOM 0 H GLY A 79 -12.386 -1.500 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.608 -1.455 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.036 -3.142 10.987 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.148 -3.618 11.099 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.957 -4.079 11.803 1.00 0.00 C ATOM 1142 C ILE A 80 -8.958 -2.942 11.996 1.00 0.00 C ATOM 1143 O ILE A 80 -8.282 -2.530 11.053 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.267 -5.230 11.046 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.289 -6.300 10.661 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.156 -5.831 11.895 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.044 -6.870 11.842 1.00 0.00 C ATOM 0 H ILE A 80 -11.229 -3.957 10.141 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.286 -4.440 12.777 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.825 -4.832 10.133 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.002 -5.872 9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.776 -7.110 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.678 -6.643 11.347 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.417 -5.063 12.124 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.576 -6.218 12.823 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.751 -7.623 11.493 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.340 -7.328 12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.585 -6.071 12.348 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.869 -2.440 13.224 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.953 -1.352 13.542 1.00 0.00 C ATOM 1161 C ALA A 81 -6.551 -1.878 13.827 1.00 0.00 C ATOM 1162 O ALA A 81 -6.326 -2.570 14.819 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.473 -0.557 14.730 1.00 0.00 C ATOM 0 H ALA A 81 -9.421 -2.770 14.015 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.894 -0.694 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.780 0.253 14.957 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.451 -0.140 14.489 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.561 -1.213 15.596 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.610 -1.546 12.948 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.228 -1.985 13.106 1.00 0.00 C ATOM 1171 C TYR A 82 -3.362 -0.866 13.677 1.00 0.00 C ATOM 1172 O TYR A 82 -2.561 -1.090 14.584 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.662 -2.447 11.761 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.347 -3.673 11.201 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.969 -4.949 11.602 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.371 -3.556 10.269 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.592 -6.072 11.091 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.999 -4.673 9.754 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.605 -5.929 10.167 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.229 -7.044 9.655 1.00 0.00 O ATOM 0 H TYR A 82 -5.779 -0.975 12.120 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.216 -2.821 13.805 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.749 -1.633 11.042 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.599 -2.657 11.877 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.175 -5.065 12.325 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.681 -2.575 9.942 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.287 -7.056 11.414 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.794 -4.564 9.032 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.062 -6.778 9.212 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.533 0.339 13.143 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.769 1.495 13.601 1.00 0.00 C ATOM 1192 C PHE A 83 -3.640 2.746 13.627 1.00 0.00 C ATOM 1193 O PHE A 83 -4.831 2.691 13.319 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.556 1.723 12.696 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.878 1.649 11.231 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.987 0.424 10.594 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -2.071 2.804 10.492 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.284 0.352 9.247 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.367 2.739 9.143 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.474 1.512 8.520 1.00 0.00 C ATOM 0 H PHE A 83 -4.194 0.541 12.393 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.424 1.292 14.615 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.127 2.700 12.916 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.793 0.980 12.930 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.838 -0.485 11.157 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.989 3.767 10.975 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.368 -0.610 8.762 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.514 3.647 8.577 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.706 1.458 7.467 1.00 0.00 H new ATOM 1210 N GLU A 84 -3.040 3.873 13.997 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.764 5.138 14.063 1.00 0.00 C ATOM 1212 C GLU A 84 -3.178 6.154 13.087 1.00 0.00 C ATOM 1213 O GLU A 84 -1.962 6.342 13.025 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.724 5.700 15.486 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.525 6.980 15.656 1.00 0.00 C ATOM 1216 CD GLU A 84 -4.334 7.610 17.023 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -4.895 7.078 18.004 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -3.626 8.635 17.111 1.00 0.00 O ATOM 0 H GLU A 84 -2.055 3.936 14.255 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.800 4.948 13.783 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.106 4.948 16.176 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.687 5.890 15.764 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.230 7.694 14.887 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.583 6.765 15.503 1.00 0.00 H new ATOM 1225 N CYS A 85 -4.050 6.806 12.325 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.620 7.803 11.352 1.00 0.00 C ATOM 1227 C CYS A 85 -4.808 8.616 10.844 1.00 0.00 C ATOM 1228 O CYS A 85 -5.932 8.454 11.320 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.910 7.126 10.177 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.880 5.825 9.379 1.00 0.00 S ATOM 0 H CYS A 85 -5.059 6.662 12.363 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.924 8.481 11.846 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.657 7.883 9.435 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.971 6.700 10.530 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.371 4.664 9.669 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.550 9.492 9.879 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.596 10.333 9.306 1.00 0.00 C ATOM 1238 C LYS A 86 -6.729 9.485 8.732 1.00 0.00 C ATOM 1239 O LYS A 86 -6.811 8.284 8.990 1.00 0.00 O ATOM 1240 CB LYS A 86 -5.011 11.237 8.218 1.00 0.00 C ATOM 1241 CG LYS A 86 -5.264 12.717 8.457 1.00 0.00 C ATOM 1242 CD LYS A 86 -4.027 13.416 8.994 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.914 14.835 8.461 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.634 15.481 8.861 1.00 0.00 N ATOM 0 H LYS A 86 -3.624 9.639 9.476 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.006 10.954 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.936 11.066 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.437 10.955 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.573 13.189 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.086 12.837 9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.064 13.437 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.138 12.850 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.989 14.821 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.750 15.429 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.598 16.447 8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.573 15.518 9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.835 14.930 8.487 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.601 10.120 7.956 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.731 9.426 7.346 1.00 0.00 C ATOM 1260 C GLU A 87 -8.287 8.618 6.131 1.00 0.00 C ATOM 1261 O GLU A 87 -8.799 7.527 5.879 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.814 10.429 6.943 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.215 10.010 7.355 1.00 0.00 C ATOM 1264 CD GLU A 87 -12.017 11.153 7.945 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.508 11.820 8.871 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -13.154 11.382 7.482 1.00 0.00 O ATOM 0 H GLU A 87 -7.547 11.114 7.734 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.141 8.736 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.587 11.396 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.788 10.565 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.741 9.612 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.149 9.203 8.085 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.335 9.160 5.378 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.827 8.487 4.189 1.00 0.00 C ATOM 1275 C LYS A 88 -5.322 8.690 4.047 1.00 0.00 C ATOM 1276 O LYS A 88 -4.819 8.941 2.951 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.545 9.003 2.940 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.998 8.562 2.847 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.350 8.069 1.451 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.943 6.670 1.484 1.00 0.00 C ATOM 1281 NZ LYS A 88 -11.207 6.621 2.271 1.00 0.00 N ATOM 0 H LYS A 88 -6.900 10.063 5.570 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.021 7.420 4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.503 10.092 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.011 8.656 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.184 7.768 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.649 9.395 3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.061 8.755 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.456 8.071 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.136 6.333 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.219 5.979 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.734 5.758 2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.984 6.615 3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.787 7.455 2.049 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.606 8.577 5.161 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.158 8.745 5.159 1.00 0.00 C ATOM 1297 C HIS A 89 -2.456 7.392 5.120 1.00 0.00 C ATOM 1298 O HIS A 89 -1.463 7.217 4.412 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.712 9.532 6.394 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.529 10.995 6.136 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.519 11.751 6.688 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.254 11.844 5.365 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.658 13.008 6.247 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.696 13.119 5.440 1.00 0.00 N ATOM 0 H HIS A 89 -5.005 8.370 6.076 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.882 9.303 4.265 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.450 9.400 7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.774 9.116 6.761 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.794 11.413 7.321 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.125 11.575 4.786 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.005 13.825 6.517 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.978 6.438 5.883 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.390 5.111 5.918 1.00 0.00 C ATOM 1314 C GLY A 90 -2.681 4.318 4.660 1.00 0.00 C ATOM 1315 O GLY A 90 -3.725 4.496 4.034 1.00 0.00 O ATOM 0 H GLY A 90 -3.798 6.559 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.311 5.198 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.773 4.569 6.783 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.756 3.439 4.287 1.00 0.00 N ATOM 1320 CA ILE A 91 -1.921 2.618 3.095 1.00 0.00 C ATOM 1321 C ILE A 91 -1.314 1.232 3.293 1.00 0.00 C ATOM 1322 O ILE A 91 -0.148 1.100 3.664 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.277 3.283 1.862 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.545 2.455 0.603 1.00 0.00 C ATOM 1325 CG2 ILE A 91 0.219 3.464 2.075 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.374 3.234 -0.682 1.00 0.00 C ATOM 0 H ILE A 91 -0.885 3.278 4.793 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.993 2.518 2.924 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.727 4.267 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.871 1.599 0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.560 2.061 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.657 3.935 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.389 4.096 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.684 2.491 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.580 2.583 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.067 4.075 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.351 3.606 -0.749 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.115 0.200 3.043 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.657 -1.178 3.193 1.00 0.00 C ATOM 1340 C PHE A 92 -1.026 -1.685 1.901 1.00 0.00 C ATOM 1341 O PHE A 92 -1.728 -2.066 0.964 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.823 -2.083 3.593 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.473 -1.692 4.890 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.378 -0.644 4.937 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.178 -2.371 6.060 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.977 -0.281 6.128 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.775 -2.014 7.254 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.675 -0.968 7.288 1.00 0.00 C ATOM 0 H PHE A 92 -3.083 0.292 2.736 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.902 -1.200 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.572 -2.066 2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.465 -3.109 3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.618 -0.105 4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.473 -3.189 6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.680 0.538 6.152 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.538 -2.553 8.159 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.142 -0.687 8.220 1.00 0.00 H new ATOM 1358 N ALA A 93 0.302 -1.688 1.858 1.00 0.00 N ATOM 1359 CA ALA A 93 1.027 -2.150 0.681 1.00 0.00 C ATOM 1360 C ALA A 93 1.778 -3.447 0.974 1.00 0.00 C ATOM 1361 O ALA A 93 2.317 -3.627 2.066 1.00 0.00 O ATOM 1362 CB ALA A 93 1.991 -1.076 0.202 1.00 0.00 C ATOM 0 H ALA A 93 0.898 -1.376 2.625 1.00 0.00 H new ATOM 0 HA ALA A 93 0.302 -2.351 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.526 -1.434 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.434 -0.175 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.705 -0.849 0.994 1.00 0.00 H new ATOM 1368 N PRO A 94 1.825 -4.374 -0.001 1.00 0.00 N ATOM 1369 CA PRO A 94 2.517 -5.657 0.165 1.00 0.00 C ATOM 1370 C PRO A 94 3.961 -5.478 0.628 1.00 0.00 C ATOM 1371 O PRO A 94 4.523 -4.387 0.527 1.00 0.00 O ATOM 1372 CB PRO A 94 2.477 -6.269 -1.237 1.00 0.00 C ATOM 1373 CG PRO A 94 1.298 -5.639 -1.894 1.00 0.00 C ATOM 1374 CD PRO A 94 1.211 -4.245 -1.336 1.00 0.00 C ATOM 0 HA PRO A 94 2.047 -6.278 0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.395 -6.059 -1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.373 -7.353 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.419 -5.619 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.388 -6.201 -1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.748 -3.529 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.179 -3.901 -1.272 1.00 0.00 H new ATOM 1382 N PRO A 95 4.583 -6.553 1.143 1.00 0.00 N ATOM 1383 CA PRO A 95 5.969 -6.511 1.622 1.00 0.00 C ATOM 1384 C PRO A 95 6.951 -6.130 0.518 1.00 0.00 C ATOM 1385 O PRO A 95 7.910 -5.396 0.754 1.00 0.00 O ATOM 1386 CB PRO A 95 6.235 -7.942 2.106 1.00 0.00 C ATOM 1387 CG PRO A 95 5.192 -8.777 1.445 1.00 0.00 C ATOM 1388 CD PRO A 95 3.988 -7.890 1.298 1.00 0.00 C ATOM 0 HA PRO A 95 6.104 -5.758 2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.237 -8.271 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.165 -8.010 3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.535 -9.134 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.958 -9.657 2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.385 -8.167 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.337 -7.944 2.171 1.00 0.00 H new ATOM 1396 N GLN A 96 6.704 -6.634 -0.686 1.00 0.00 N ATOM 1397 CA GLN A 96 7.568 -6.346 -1.826 1.00 0.00 C ATOM 1398 C GLN A 96 7.614 -4.848 -2.113 1.00 0.00 C ATOM 1399 O GLN A 96 8.581 -4.346 -2.686 1.00 0.00 O ATOM 1400 CB GLN A 96 7.080 -7.099 -3.065 1.00 0.00 C ATOM 1401 CG GLN A 96 5.585 -6.974 -3.304 1.00 0.00 C ATOM 1402 CD GLN A 96 5.252 -6.527 -4.714 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.101 -6.560 -5.604 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.011 -6.105 -4.924 1.00 0.00 N ATOM 0 H GLN A 96 5.914 -7.243 -0.898 1.00 0.00 H new ATOM 0 HA GLN A 96 8.576 -6.680 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.612 -6.725 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.336 -8.154 -2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.109 -7.935 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.166 -6.262 -2.593 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.339 -6.095 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.729 -5.791 -5.853 1.00 0.00 H new ATOM 1413 N LYS A 97 6.564 -4.137 -1.711 1.00 0.00 N ATOM 1414 CA LYS A 97 6.489 -2.696 -1.927 1.00 0.00 C ATOM 1415 C LYS A 97 6.919 -1.931 -0.680 1.00 0.00 C ATOM 1416 O LYS A 97 6.433 -0.832 -0.416 1.00 0.00 O ATOM 1417 CB LYS A 97 5.066 -2.293 -2.321 1.00 0.00 C ATOM 1418 CG LYS A 97 4.587 -2.939 -3.611 1.00 0.00 C ATOM 1419 CD LYS A 97 4.937 -2.091 -4.824 1.00 0.00 C ATOM 1420 CE LYS A 97 3.699 -1.463 -5.444 1.00 0.00 C ATOM 1421 NZ LYS A 97 2.826 -2.481 -6.093 1.00 0.00 N ATOM 0 H LYS A 97 5.755 -4.535 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 97 7.172 -2.441 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.384 -2.562 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.020 -1.209 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.038 -3.926 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.508 -3.085 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.636 -1.307 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.443 -2.708 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.134 -0.938 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.000 -0.719 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.162 -2.008 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.413 -3.151 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.292 -2.996 -5.364 1.00 0.00 H new ATOM 1435 N ILE A 98 7.835 -2.519 0.086 1.00 0.00 N ATOM 1436 CA ILE A 98 8.329 -1.891 1.304 1.00 0.00 C ATOM 1437 C ILE A 98 9.839 -1.685 1.241 1.00 0.00 C ATOM 1438 O ILE A 98 10.611 -2.636 1.371 1.00 0.00 O ATOM 1439 CB ILE A 98 7.990 -2.731 2.550 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.519 -3.150 2.526 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.303 -1.950 3.818 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.559 -1.983 2.452 1.00 0.00 C ATOM 0 H ILE A 98 8.249 -3.429 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 98 7.834 -0.923 1.383 1.00 0.00 H new ATOM 0 HB ILE A 98 8.605 -3.631 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.350 -3.804 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.301 -3.733 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.058 -2.557 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.363 -1.698 3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.712 -1.034 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.535 -2.355 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.700 -1.340 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.750 -1.412 1.543 1.00 0.00 H new ATOM 1454 N SER A 99 10.254 -0.439 1.041 1.00 0.00 N ATOM 1455 CA SER A 99 11.672 -0.108 0.961 1.00 0.00 C ATOM 1456 C SER A 99 12.055 0.910 2.031 1.00 0.00 C ATOM 1457 O SER A 99 11.193 1.465 2.710 1.00 0.00 O ATOM 1458 CB SER A 99 12.012 0.440 -0.426 1.00 0.00 C ATOM 1459 OG SER A 99 11.398 -0.333 -1.444 1.00 0.00 O ATOM 0 H SER A 99 9.628 0.359 0.931 1.00 0.00 H new ATOM 0 HA SER A 99 12.242 -1.021 1.133 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.682 1.476 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.093 0.439 -0.566 1.00 0.00 H new ATOM 0 HG SER A 99 11.479 0.133 -2.302 1.00 0.00 H new ATOM 1465 N HIS A 100 13.355 1.149 2.174 1.00 0.00 N ATOM 1466 CA HIS A 100 13.852 2.101 3.159 1.00 0.00 C ATOM 1467 C HIS A 100 14.050 3.478 2.533 1.00 0.00 C ATOM 1468 O HIS A 100 14.676 3.607 1.481 1.00 0.00 O ATOM 1469 CB HIS A 100 15.168 1.607 3.760 1.00 0.00 C ATOM 1470 CG HIS A 100 15.004 0.438 4.682 1.00 0.00 C ATOM 1471 ND1 HIS A 100 14.927 -0.870 4.258 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.903 0.400 6.035 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.783 -1.645 5.342 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.764 -0.923 6.446 1.00 0.00 N ATOM 0 H HIS A 100 14.082 0.696 1.620 1.00 0.00 H new ATOM 0 HA HIS A 100 13.109 2.185 3.952 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.845 1.330 2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.639 2.425 4.304 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.927 1.259 6.689 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.694 -2.721 5.315 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.667 -1.264 7.403 1.00 0.00 H new ATOM 1482 N ILE A 101 13.515 4.504 3.187 1.00 0.00 N ATOM 1483 CA ILE A 101 13.635 5.871 2.694 1.00 0.00 C ATOM 1484 C ILE A 101 15.099 6.308 2.643 1.00 0.00 C ATOM 1485 O ILE A 101 15.734 6.489 3.681 1.00 0.00 O ATOM 1486 CB ILE A 101 12.846 6.859 3.577 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.404 6.379 3.757 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.873 8.255 2.967 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.555 7.313 4.593 1.00 0.00 C ATOM 0 H ILE A 101 12.994 4.415 4.059 1.00 0.00 H new ATOM 0 HA ILE A 101 13.218 5.884 1.687 1.00 0.00 H new ATOM 0 HB ILE A 101 13.319 6.903 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.943 6.263 2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.413 5.394 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.312 8.940 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.905 8.597 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.422 8.227 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.546 6.909 4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.992 7.410 5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.515 8.293 4.117 1.00 0.00 H new ATOM 1501 N PRO A 102 15.658 6.486 1.430 1.00 0.00 N ATOM 1502 CA PRO A 102 17.053 6.906 1.261 1.00 0.00 C ATOM 1503 C PRO A 102 17.366 8.193 2.014 1.00 0.00 C ATOM 1504 O PRO A 102 16.548 9.112 2.058 1.00 0.00 O ATOM 1505 CB PRO A 102 17.184 7.124 -0.249 1.00 0.00 C ATOM 1506 CG PRO A 102 16.113 6.283 -0.850 1.00 0.00 C ATOM 1507 CD PRO A 102 14.979 6.295 0.135 1.00 0.00 C ATOM 0 HA PRO A 102 17.749 6.167 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.055 8.174 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.169 6.826 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.797 6.682 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.467 5.267 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.274 7.100 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.414 5.363 0.110 1.00 0.00 H new