USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 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 74 ASN : amide:sc= 0.0167 X(o=0.017,f=-0.0028) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.689 F(o=-1.9!,f=-0.69) USER MOD Single : A 44 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -127:sc= 0.964 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= -0.0445 F(o=-1.1,f=-0.044) USER MOD Single : A 73 ASN : amide:sc= -1.96 K(o=-2,f=-2.9!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 85 CYS SG : rot -117:sc= -0.844 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -2.93 X(o=-2.9,f=-2.7) USER MOD Single : A 96 GLN : amide:sc= -0.538 K(o=-0.54,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0537) USER MOD Single : A 99 SER OG : rot 180:sc= -0.383 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.774 -8.923 5.990 1.00 0.00 N ATOM 368 CA LEU A 29 9.037 -7.655 6.660 1.00 0.00 C ATOM 369 C LEU A 29 9.594 -7.887 8.061 1.00 0.00 C ATOM 370 O LEU A 29 9.322 -7.118 8.984 1.00 0.00 O ATOM 371 CB LEU A 29 7.757 -6.820 6.741 1.00 0.00 C ATOM 372 CG LEU A 29 7.256 -6.274 5.403 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.792 -5.877 5.505 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.103 -5.090 4.962 1.00 0.00 C ATOM 0 HA LEU A 29 9.780 -7.112 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.970 -7.430 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.930 -5.982 7.417 1.00 0.00 H new ATOM 0 HG LEU A 29 7.346 -7.059 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.452 -5.491 4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.197 -6.749 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.676 -5.107 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.733 -4.713 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.043 -4.301 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.140 -5.406 4.850 1.00 0.00 H new ATOM 386 N PHE A 30 10.375 -8.951 8.214 1.00 0.00 N ATOM 387 CA PHE A 30 10.971 -9.283 9.503 1.00 0.00 C ATOM 388 C PHE A 30 12.067 -8.289 9.872 1.00 0.00 C ATOM 389 O PHE A 30 12.333 -8.053 11.051 1.00 0.00 O ATOM 390 CB PHE A 30 11.542 -10.702 9.475 1.00 0.00 C ATOM 391 CG PHE A 30 11.698 -11.312 10.839 1.00 0.00 C ATOM 392 CD1 PHE A 30 10.602 -11.459 11.674 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.938 -11.737 11.284 1.00 0.00 C ATOM 394 CE1 PHE A 30 10.741 -12.018 12.930 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.083 -12.297 12.540 1.00 0.00 C ATOM 396 CZ PHE A 30 11.983 -12.438 13.363 1.00 0.00 C ATOM 0 H PHE A 30 10.610 -9.598 7.461 1.00 0.00 H new ATOM 0 HA PHE A 30 10.188 -9.228 10.259 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.889 -11.336 8.875 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.513 -10.685 8.980 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.628 -11.133 11.339 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.801 -11.630 10.644 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.879 -12.126 13.572 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.056 -12.624 12.877 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.094 -12.876 14.344 1.00 0.00 H new ATOM 406 N ASP A 31 12.703 -7.710 8.858 1.00 0.00 N ATOM 407 CA ASP A 31 13.771 -6.742 9.079 1.00 0.00 C ATOM 408 C ASP A 31 13.243 -5.314 8.981 1.00 0.00 C ATOM 409 O ASP A 31 13.950 -4.409 8.538 1.00 0.00 O ATOM 410 CB ASP A 31 14.896 -6.953 8.064 1.00 0.00 C ATOM 411 CG ASP A 31 15.956 -7.911 8.568 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.376 -7.772 9.736 1.00 0.00 O ATOM 413 OD2 ASP A 31 16.367 -8.802 7.794 1.00 0.00 O ATOM 0 H ASP A 31 12.497 -7.894 7.876 1.00 0.00 H new ATOM 0 HA ASP A 31 14.163 -6.896 10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.476 -7.337 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.358 -5.993 7.833 1.00 0.00 H new ATOM 418 N PHE A 32 11.996 -5.118 9.398 1.00 0.00 N ATOM 419 CA PHE A 32 11.376 -3.799 9.358 1.00 0.00 C ATOM 420 C PHE A 32 10.792 -3.430 10.718 1.00 0.00 C ATOM 421 O PHE A 32 9.771 -3.976 11.135 1.00 0.00 O ATOM 422 CB PHE A 32 10.280 -3.760 8.292 1.00 0.00 C ATOM 423 CG PHE A 32 10.763 -3.284 6.952 1.00 0.00 C ATOM 424 CD1 PHE A 32 10.743 -1.934 6.634 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.237 -4.183 6.010 1.00 0.00 C ATOM 426 CE1 PHE A 32 11.188 -1.492 5.403 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.683 -3.746 4.778 1.00 0.00 C ATOM 428 CZ PHE A 32 11.658 -2.399 4.473 1.00 0.00 C ATOM 0 H PHE A 32 11.396 -5.855 9.767 1.00 0.00 H new ATOM 0 HA PHE A 32 12.146 -3.071 9.104 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.855 -4.758 8.183 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.476 -3.107 8.632 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.376 -1.221 7.357 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.258 -5.238 6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.168 -0.438 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.051 -4.457 4.053 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.005 -2.056 3.510 1.00 0.00 H new ATOM 438 N HIS A 33 11.449 -2.502 11.406 1.00 0.00 N ATOM 439 CA HIS A 33 10.994 -2.060 12.720 1.00 0.00 C ATOM 440 C HIS A 33 9.852 -1.059 12.592 1.00 0.00 C ATOM 441 O HIS A 33 9.801 -0.277 11.642 1.00 0.00 O ATOM 442 CB HIS A 33 12.152 -1.434 13.499 1.00 0.00 C ATOM 443 CG HIS A 33 13.040 -2.439 14.165 1.00 0.00 C ATOM 444 ND1 HIS A 33 13.285 -2.469 15.520 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.750 -3.467 13.633 1.00 0.00 C ATOM 446 CE1 HIS A 33 14.116 -3.490 15.764 1.00 0.00 C ATOM 447 NE2 HIS A 33 14.429 -4.129 14.652 1.00 0.00 N ATOM 0 H HIS A 33 12.297 -2.042 11.076 1.00 0.00 H new ATOM 0 HA HIS A 33 10.629 -2.932 13.263 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.750 -0.827 12.819 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.748 -0.761 14.255 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.783 -3.729 12.586 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.483 -3.756 16.744 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.041 -4.939 14.559 1.00 0.00 H new ATOM 455 N ILE A 34 8.938 -1.086 13.557 1.00 0.00 N ATOM 456 CA ILE A 34 7.798 -0.178 13.553 1.00 0.00 C ATOM 457 C ILE A 34 8.208 1.220 14.002 1.00 0.00 C ATOM 458 O ILE A 34 9.004 1.377 14.928 1.00 0.00 O ATOM 459 CB ILE A 34 6.669 -0.688 14.469 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.381 -2.164 14.187 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.413 0.150 14.278 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.843 -2.420 12.796 1.00 0.00 C ATOM 0 H ILE A 34 8.965 -1.726 14.351 1.00 0.00 H new ATOM 0 HA ILE A 34 7.432 -0.135 12.527 1.00 0.00 H new ATOM 0 HB ILE A 34 6.991 -0.593 15.506 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.298 -2.737 14.324 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.662 -2.532 14.919 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.624 -0.222 14.932 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.628 1.190 14.525 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.086 0.084 13.240 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.662 -3.487 12.667 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.909 -1.874 12.661 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.570 -2.083 12.057 1.00 0.00 H new ATOM 474 N GLY A 35 7.662 2.233 13.338 1.00 0.00 N ATOM 475 CA GLY A 35 7.986 3.605 13.684 1.00 0.00 C ATOM 476 C GLY A 35 9.104 4.174 12.831 1.00 0.00 C ATOM 477 O GLY A 35 9.274 5.391 12.753 1.00 0.00 O ATOM 0 H GLY A 35 7.002 2.129 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.096 4.224 13.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.275 3.652 14.734 1.00 0.00 H new ATOM 481 N ASP A 36 9.868 3.294 12.189 1.00 0.00 N ATOM 482 CA ASP A 36 10.974 3.721 11.340 1.00 0.00 C ATOM 483 C ASP A 36 10.465 4.222 9.992 1.00 0.00 C ATOM 484 O ASP A 36 9.319 3.971 9.618 1.00 0.00 O ATOM 485 CB ASP A 36 11.956 2.566 11.129 1.00 0.00 C ATOM 486 CG ASP A 36 13.295 3.036 10.594 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.651 4.209 10.834 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.987 2.231 9.937 1.00 0.00 O ATOM 0 H ASP A 36 9.741 2.283 12.241 1.00 0.00 H new ATOM 0 HA ASP A 36 11.488 4.541 11.841 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.108 2.045 12.074 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.523 1.846 10.434 1.00 0.00 H new ATOM 493 N ARG A 37 11.324 4.932 9.267 1.00 0.00 N ATOM 494 CA ARG A 37 10.961 5.468 7.960 1.00 0.00 C ATOM 495 C ARG A 37 10.957 4.368 6.905 1.00 0.00 C ATOM 496 O ARG A 37 11.842 3.514 6.880 1.00 0.00 O ATOM 497 CB ARG A 37 11.934 6.577 7.554 1.00 0.00 C ATOM 498 CG ARG A 37 11.519 7.958 8.036 1.00 0.00 C ATOM 499 CD ARG A 37 12.688 8.929 8.018 1.00 0.00 C ATOM 500 NE ARG A 37 12.295 10.250 7.532 1.00 0.00 N ATOM 501 CZ ARG A 37 13.156 11.164 7.088 1.00 0.00 C ATOM 502 NH1 ARG A 37 14.457 10.905 7.067 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.714 12.339 6.664 1.00 0.00 N ATOM 0 H ARG A 37 12.276 5.149 9.562 1.00 0.00 H new ATOM 0 HA ARG A 37 9.956 5.883 8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.922 6.345 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.022 6.592 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.718 8.340 7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.120 7.887 9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.099 9.020 9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.480 8.531 7.384 1.00 0.00 H new ATOM 0 HE ARG A 37 11.303 10.486 7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.803 10.002 7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.112 11.609 6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.715 12.543 6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.373 13.039 6.324 1.00 0.00 H new ATOM 517 N VAL A 38 9.954 4.396 6.032 1.00 0.00 N ATOM 518 CA VAL A 38 9.835 3.400 4.974 1.00 0.00 C ATOM 519 C VAL A 38 9.351 4.032 3.673 1.00 0.00 C ATOM 520 O VAL A 38 8.653 5.045 3.687 1.00 0.00 O ATOM 521 CB VAL A 38 8.870 2.268 5.373 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.471 1.417 6.480 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.526 2.838 5.799 1.00 0.00 C ATOM 0 H VAL A 38 9.213 5.097 6.037 1.00 0.00 H new ATOM 0 HA VAL A 38 10.830 2.982 4.822 1.00 0.00 H new ATOM 0 HB VAL A 38 8.710 1.630 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.774 0.623 6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.406 0.977 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.664 2.040 7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.857 2.024 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.666 3.501 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.090 3.399 4.972 1.00 0.00 H new ATOM 533 N LEU A 39 9.726 3.424 2.552 1.00 0.00 N ATOM 534 CA LEU A 39 9.329 3.925 1.241 1.00 0.00 C ATOM 535 C LEU A 39 8.506 2.884 0.488 1.00 0.00 C ATOM 536 O LEU A 39 8.883 1.714 0.415 1.00 0.00 O ATOM 537 CB LEU A 39 10.566 4.302 0.422 1.00 0.00 C ATOM 538 CG LEU A 39 10.351 5.420 -0.600 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.765 6.652 0.072 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.660 5.762 -1.295 1.00 0.00 C ATOM 0 H LEU A 39 10.304 2.584 2.525 1.00 0.00 H new ATOM 0 HA LEU A 39 8.713 4.812 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.358 4.604 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.920 3.414 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 39 9.643 5.070 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.619 7.437 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.807 6.398 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.449 7.005 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.490 6.559 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.389 6.093 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.040 4.879 -1.809 1.00 0.00 H new ATOM 552 N ILE A 40 7.378 3.316 -0.066 1.00 0.00 N ATOM 553 CA ILE A 40 6.501 2.419 -0.810 1.00 0.00 C ATOM 554 C ILE A 40 6.757 2.518 -2.310 1.00 0.00 C ATOM 555 O ILE A 40 6.503 3.553 -2.926 1.00 0.00 O ATOM 556 CB ILE A 40 5.017 2.724 -0.533 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.770 2.841 0.972 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.131 1.645 -1.139 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.371 3.297 1.321 1.00 0.00 C ATOM 0 H ILE A 40 7.050 4.280 -0.014 1.00 0.00 H new ATOM 0 HA ILE A 40 6.725 1.407 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 40 4.765 3.677 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.955 1.873 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.488 3.542 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.085 1.875 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.290 1.607 -2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.382 0.679 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.268 3.357 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.189 4.279 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.647 2.584 0.927 1.00 0.00 H new ATOM 571 N GLY A 41 7.259 1.433 -2.893 1.00 0.00 N ATOM 572 CA GLY A 41 7.540 1.417 -4.316 1.00 0.00 C ATOM 573 C GLY A 41 8.499 2.516 -4.736 1.00 0.00 C ATOM 574 O GLY A 41 8.539 2.899 -5.905 1.00 0.00 O ATOM 0 H GLY A 41 7.476 0.565 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.961 0.449 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.606 1.525 -4.868 1.00 0.00 H new ATOM 578 N ASN A 42 9.273 3.023 -3.782 1.00 0.00 N ATOM 579 CA ASN A 42 10.236 4.083 -4.060 1.00 0.00 C ATOM 580 C ASN A 42 9.547 5.298 -4.679 1.00 0.00 C ATOM 581 O ASN A 42 9.849 5.690 -5.806 1.00 0.00 O ATOM 582 CB ASN A 42 11.333 3.569 -4.996 1.00 0.00 C ATOM 583 CG ASN A 42 12.492 2.948 -4.243 1.00 0.00 C ATOM 584 OD1 ASN A 42 13.184 3.758 -3.450 1.00 0.00 O flip ATOM 585 ND2 ASN A 42 12.762 1.754 -4.371 1.00 0.00 N flip ATOM 0 H ASN A 42 9.252 2.717 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 42 10.687 4.388 -3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.909 2.831 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.701 4.393 -5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.203 1.168 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.545 1.350 -3.856 1.00 0.00 H new ATOM 592 N VAL A 43 8.620 5.890 -3.933 1.00 0.00 N ATOM 593 CA VAL A 43 7.889 7.058 -4.407 1.00 0.00 C ATOM 594 C VAL A 43 7.018 7.649 -3.302 1.00 0.00 C ATOM 595 O VAL A 43 6.967 8.866 -3.122 1.00 0.00 O ATOM 596 CB VAL A 43 7.004 6.712 -5.621 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.962 5.669 -5.246 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.340 7.964 -6.175 1.00 0.00 C ATOM 0 H VAL A 43 8.358 5.579 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 43 8.632 7.796 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 43 7.640 6.292 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.348 5.439 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.461 4.762 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.329 6.057 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.720 7.698 -7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.718 8.418 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.106 8.674 -6.488 1.00 0.00 H new ATOM 608 N GLN A 44 6.333 6.780 -2.566 1.00 0.00 N ATOM 609 CA GLN A 44 5.463 7.218 -1.481 1.00 0.00 C ATOM 610 C GLN A 44 6.121 6.980 -0.123 1.00 0.00 C ATOM 611 O GLN A 44 6.109 5.863 0.393 1.00 0.00 O ATOM 612 CB GLN A 44 4.125 6.479 -1.546 1.00 0.00 C ATOM 613 CG GLN A 44 3.173 7.035 -2.592 1.00 0.00 C ATOM 614 CD GLN A 44 1.724 6.973 -2.154 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.389 6.322 -1.165 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.852 7.653 -2.892 1.00 0.00 N ATOM 0 H GLN A 44 6.364 5.769 -2.701 1.00 0.00 H new ATOM 0 HA GLN A 44 5.289 8.288 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.311 5.426 -1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.645 6.527 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.440 8.070 -2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.292 6.476 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.173 8.180 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.138 7.648 -2.646 1.00 0.00 H new ATOM 625 N PRO A 45 6.706 8.031 0.479 1.00 0.00 N ATOM 626 CA PRO A 45 7.367 7.925 1.782 1.00 0.00 C ATOM 627 C PRO A 45 6.370 7.829 2.932 1.00 0.00 C ATOM 628 O PRO A 45 5.241 8.309 2.830 1.00 0.00 O ATOM 629 CB PRO A 45 8.165 9.225 1.876 1.00 0.00 C ATOM 630 CG PRO A 45 7.393 10.198 1.056 1.00 0.00 C ATOM 631 CD PRO A 45 6.771 9.404 -0.062 1.00 0.00 C ATOM 0 HA PRO A 45 7.977 7.025 1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.256 9.561 2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.177 9.098 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.628 10.692 1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.044 10.979 0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.781 9.781 -0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.374 9.449 -0.969 1.00 0.00 H new ATOM 639 N GLY A 46 6.794 7.204 4.026 1.00 0.00 N ATOM 640 CA GLY A 46 5.926 7.056 5.178 1.00 0.00 C ATOM 641 C GLY A 46 6.580 6.277 6.301 1.00 0.00 C ATOM 642 O GLY A 46 7.747 5.896 6.204 1.00 0.00 O ATOM 0 H GLY A 46 7.723 6.798 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.640 8.043 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.009 6.550 4.875 1.00 0.00 H new ATOM 646 N ILE A 47 5.828 6.039 7.370 1.00 0.00 N ATOM 647 CA ILE A 47 6.342 5.300 8.518 1.00 0.00 C ATOM 648 C ILE A 47 5.638 3.955 8.667 1.00 0.00 C ATOM 649 O ILE A 47 4.424 3.856 8.488 1.00 0.00 O ATOM 650 CB ILE A 47 6.174 6.101 9.823 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.677 7.534 9.636 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.917 5.418 10.961 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.580 8.520 9.293 1.00 0.00 C ATOM 0 H ILE A 47 4.860 6.347 7.466 1.00 0.00 H new ATOM 0 HA ILE A 47 7.404 5.133 8.336 1.00 0.00 H new ATOM 0 HB ILE A 47 5.114 6.138 10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.173 7.859 10.551 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.427 7.547 8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.790 5.995 11.877 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.517 4.414 11.106 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.977 5.354 10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.009 9.515 9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.099 8.220 8.362 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.842 8.536 10.095 1.00 0.00 H new ATOM 665 N LEU A 48 6.408 2.925 8.996 1.00 0.00 N ATOM 666 CA LEU A 48 5.860 1.584 9.170 1.00 0.00 C ATOM 667 C LEU A 48 5.093 1.477 10.485 1.00 0.00 C ATOM 668 O LEU A 48 5.691 1.421 11.560 1.00 0.00 O ATOM 669 CB LEU A 48 6.980 0.543 9.133 1.00 0.00 C ATOM 670 CG LEU A 48 6.516 -0.911 9.230 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.058 -1.417 7.872 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.630 -1.788 9.781 1.00 0.00 C ATOM 0 H LEU A 48 7.414 2.992 9.148 1.00 0.00 H new ATOM 0 HA LEU A 48 5.169 1.392 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.541 0.668 8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.669 0.744 9.953 1.00 0.00 H new ATOM 0 HG LEU A 48 5.670 -0.959 9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.732 -2.453 7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.229 -0.805 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.884 -1.356 7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.284 -2.820 9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.495 -1.735 9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.911 -1.438 10.775 1.00 0.00 H new ATOM 684 N ARG A 49 3.768 1.447 10.392 1.00 0.00 N ATOM 685 CA ARG A 49 2.920 1.346 11.574 1.00 0.00 C ATOM 686 C ARG A 49 2.471 -0.093 11.802 1.00 0.00 C ATOM 687 O ARG A 49 2.255 -0.513 12.940 1.00 0.00 O ATOM 688 CB ARG A 49 1.700 2.259 11.432 1.00 0.00 C ATOM 689 CG ARG A 49 2.049 3.738 11.392 1.00 0.00 C ATOM 690 CD ARG A 49 2.740 4.181 12.672 1.00 0.00 C ATOM 691 NE ARG A 49 1.901 3.969 13.849 1.00 0.00 N ATOM 692 CZ ARG A 49 2.368 3.929 15.094 1.00 0.00 C ATOM 693 NH1 ARG A 49 3.665 4.086 15.330 1.00 0.00 N ATOM 694 NH2 ARG A 49 1.536 3.730 16.108 1.00 0.00 N ATOM 0 H ARG A 49 3.258 1.491 9.510 1.00 0.00 H new ATOM 0 HA ARG A 49 3.504 1.664 12.437 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.164 1.996 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.021 2.077 12.265 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.698 3.937 10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.141 4.324 11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.674 3.631 12.789 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.999 5.237 12.597 1.00 0.00 H new ATOM 0 HE ARG A 49 0.899 3.844 13.708 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.310 4.238 14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.017 4.054 16.287 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.539 3.608 15.933 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.894 3.699 17.063 1.00 0.00 H new ATOM 708 N PHE A 50 2.331 -0.845 10.716 1.00 0.00 N ATOM 709 CA PHE A 50 1.906 -2.238 10.800 1.00 0.00 C ATOM 710 C PHE A 50 2.589 -3.079 9.726 1.00 0.00 C ATOM 711 O PHE A 50 3.118 -2.547 8.751 1.00 0.00 O ATOM 712 CB PHE A 50 0.387 -2.339 10.656 1.00 0.00 C ATOM 713 CG PHE A 50 -0.138 -3.742 10.782 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.044 -4.424 11.985 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.722 -4.377 9.698 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.526 -5.714 12.105 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.204 -5.667 9.812 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.106 -6.336 11.016 1.00 0.00 C ATOM 0 H PHE A 50 2.505 -0.514 9.767 1.00 0.00 H new ATOM 0 HA PHE A 50 2.196 -2.623 11.777 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.084 -1.714 11.415 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.095 -1.937 9.686 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.411 -3.942 12.838 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.801 -3.858 8.754 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.449 -6.235 13.048 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.657 -6.152 8.960 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.482 -7.344 11.106 1.00 0.00 H new ATOM 728 N LYS A 51 2.572 -4.396 9.913 1.00 0.00 N ATOM 729 CA LYS A 51 3.189 -5.309 8.959 1.00 0.00 C ATOM 730 C LYS A 51 2.950 -6.760 9.364 1.00 0.00 C ATOM 731 O LYS A 51 3.555 -7.259 10.313 1.00 0.00 O ATOM 732 CB LYS A 51 4.691 -5.037 8.858 1.00 0.00 C ATOM 733 CG LYS A 51 5.386 -4.950 10.209 1.00 0.00 C ATOM 734 CD LYS A 51 6.350 -6.106 10.418 1.00 0.00 C ATOM 735 CE LYS A 51 7.116 -5.965 11.724 1.00 0.00 C ATOM 736 NZ LYS A 51 7.434 -7.289 12.327 1.00 0.00 N ATOM 0 H LYS A 51 2.138 -4.853 10.715 1.00 0.00 H new ATOM 0 HA LYS A 51 2.730 -5.141 7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.156 -5.828 8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.847 -4.103 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.927 -4.007 10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.640 -4.950 11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.798 -7.046 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.053 -6.150 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.041 -5.416 11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.527 -5.377 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.956 -7.149 13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.551 -7.803 12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.017 -7.841 11.666 1.00 0.00 H new ATOM 750 N GLY A 52 2.065 -7.433 8.636 1.00 0.00 N ATOM 751 CA GLY A 52 1.762 -8.821 8.934 1.00 0.00 C ATOM 752 C GLY A 52 0.533 -9.318 8.199 1.00 0.00 C ATOM 753 O GLY A 52 0.060 -8.676 7.262 1.00 0.00 O ATOM 0 H GLY A 52 1.552 -7.042 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.617 -9.442 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.610 -8.934 10.007 1.00 0.00 H new ATOM 757 N GLU A 53 0.015 -10.465 8.625 1.00 0.00 N ATOM 758 CA GLU A 53 -1.167 -11.049 8.002 1.00 0.00 C ATOM 759 C GLU A 53 -2.428 -10.302 8.421 1.00 0.00 C ATOM 760 O GLU A 53 -2.536 -9.830 9.553 1.00 0.00 O ATOM 761 CB GLU A 53 -1.288 -12.527 8.377 1.00 0.00 C ATOM 762 CG GLU A 53 -0.047 -13.342 8.048 1.00 0.00 C ATOM 763 CD GLU A 53 0.447 -14.156 9.227 1.00 0.00 C ATOM 764 OE1 GLU A 53 0.819 -13.550 10.254 1.00 0.00 O ATOM 765 OE2 GLU A 53 0.464 -15.401 9.124 1.00 0.00 O ATOM 0 H GLU A 53 0.395 -11.009 9.400 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.058 -10.963 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.492 -12.607 9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.143 -12.957 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.267 -14.011 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.746 -12.671 7.717 1.00 0.00 H new ATOM 772 N THR A 54 -3.381 -10.199 7.500 1.00 0.00 N ATOM 773 CA THR A 54 -4.637 -9.510 7.773 1.00 0.00 C ATOM 774 C THR A 54 -5.784 -10.505 7.908 1.00 0.00 C ATOM 775 O THR A 54 -5.582 -11.716 7.828 1.00 0.00 O ATOM 776 CB THR A 54 -4.944 -8.506 6.660 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.549 -9.020 5.400 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.254 -7.173 6.849 1.00 0.00 C ATOM 0 H THR A 54 -3.307 -10.584 6.558 1.00 0.00 H new ATOM 0 HA THR A 54 -4.532 -8.974 8.717 1.00 0.00 H new ATOM 0 HB THR A 54 -6.022 -8.347 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.966 -8.373 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.514 -6.508 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.575 -6.727 7.790 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.174 -7.322 6.868 1.00 0.00 H new ATOM 786 N SER A 55 -6.991 -9.986 8.113 1.00 0.00 N ATOM 787 CA SER A 55 -8.171 -10.830 8.259 1.00 0.00 C ATOM 788 C SER A 55 -8.974 -10.869 6.963 1.00 0.00 C ATOM 789 O SER A 55 -9.397 -11.934 6.514 1.00 0.00 O ATOM 790 CB SER A 55 -9.050 -10.321 9.402 1.00 0.00 C ATOM 791 OG SER A 55 -10.158 -11.179 9.614 1.00 0.00 O ATOM 0 H SER A 55 -7.177 -8.985 8.182 1.00 0.00 H new ATOM 0 HA SER A 55 -7.838 -11.842 8.490 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.460 -10.252 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.403 -9.315 9.173 1.00 0.00 H new ATOM 0 HG SER A 55 -10.704 -10.833 10.351 1.00 0.00 H new ATOM 797 N PHE A 56 -9.181 -9.699 6.367 1.00 0.00 N ATOM 798 CA PHE A 56 -9.933 -9.598 5.122 1.00 0.00 C ATOM 799 C PHE A 56 -9.265 -10.407 4.014 1.00 0.00 C ATOM 800 O PHE A 56 -9.938 -11.007 3.177 1.00 0.00 O ATOM 801 CB PHE A 56 -10.058 -8.134 4.695 1.00 0.00 C ATOM 802 CG PHE A 56 -8.734 -7.455 4.487 1.00 0.00 C ATOM 803 CD1 PHE A 56 -8.087 -6.833 5.543 1.00 0.00 C ATOM 804 CD2 PHE A 56 -8.137 -7.439 3.236 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.869 -6.207 5.354 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.920 -6.815 3.043 1.00 0.00 C ATOM 807 CZ PHE A 56 -6.285 -6.198 4.103 1.00 0.00 C ATOM 0 H PHE A 56 -8.838 -8.808 6.726 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.929 -10.006 5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.633 -8.081 3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.621 -7.590 5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.539 -6.837 6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.629 -7.920 2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.375 -5.725 6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.465 -6.810 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.333 -5.709 3.954 1.00 0.00 H new ATOM 817 N ALA A 57 -7.935 -10.417 4.017 1.00 0.00 N ATOM 818 CA ALA A 57 -7.175 -11.151 3.014 1.00 0.00 C ATOM 819 C ALA A 57 -5.984 -11.867 3.641 1.00 0.00 C ATOM 820 O ALA A 57 -5.803 -11.843 4.859 1.00 0.00 O ATOM 821 CB ALA A 57 -6.708 -10.210 1.914 1.00 0.00 C ATOM 0 H ALA A 57 -7.363 -9.925 4.703 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.830 -11.906 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.141 -10.771 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.573 -9.749 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.074 -9.434 2.344 1.00 0.00 H new ATOM 827 N LYS A 58 -5.173 -12.503 2.802 1.00 0.00 N ATOM 828 CA LYS A 58 -3.998 -13.226 3.274 1.00 0.00 C ATOM 829 C LYS A 58 -2.715 -12.567 2.775 1.00 0.00 C ATOM 830 O LYS A 58 -2.742 -11.760 1.845 1.00 0.00 O ATOM 831 CB LYS A 58 -4.049 -14.683 2.809 1.00 0.00 C ATOM 832 CG LYS A 58 -4.074 -14.839 1.297 1.00 0.00 C ATOM 833 CD LYS A 58 -2.706 -15.219 0.748 1.00 0.00 C ATOM 834 CE LYS A 58 -2.749 -16.540 -0.003 1.00 0.00 C ATOM 835 NZ LYS A 58 -1.973 -16.484 -1.272 1.00 0.00 N ATOM 0 H LYS A 58 -5.308 -12.532 1.791 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.000 -13.198 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.183 -15.213 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.935 -15.159 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.802 -15.603 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.403 -13.906 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.350 -14.433 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.991 -15.290 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.350 -17.331 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.785 -16.799 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.028 -17.404 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.369 -15.746 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.979 -16.262 -1.062 1.00 0.00 H new ATOM 849 N GLY A 59 -1.595 -12.916 3.397 1.00 0.00 N ATOM 850 CA GLY A 59 -0.319 -12.350 3.002 1.00 0.00 C ATOM 851 C GLY A 59 0.101 -11.190 3.884 1.00 0.00 C ATOM 852 O GLY A 59 -0.687 -10.699 4.693 1.00 0.00 O ATOM 0 H GLY A 59 -1.548 -13.581 4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.446 -13.126 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.380 -12.012 1.968 1.00 0.00 H new ATOM 856 N PHE A 60 1.346 -10.751 3.728 1.00 0.00 N ATOM 857 CA PHE A 60 1.871 -9.641 4.515 1.00 0.00 C ATOM 858 C PHE A 60 1.288 -8.313 4.040 1.00 0.00 C ATOM 859 O PHE A 60 1.203 -8.056 2.840 1.00 0.00 O ATOM 860 CB PHE A 60 3.398 -9.604 4.427 1.00 0.00 C ATOM 861 CG PHE A 60 4.084 -10.230 5.608 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.290 -11.598 5.661 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.523 -9.448 6.665 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.921 -12.177 6.746 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.155 -10.021 7.753 1.00 0.00 C ATOM 866 CZ PHE A 60 5.354 -11.387 7.794 1.00 0.00 C ATOM 0 H PHE A 60 2.010 -11.147 3.063 1.00 0.00 H new ATOM 0 HA PHE A 60 1.578 -9.793 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.714 -10.118 3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.723 -8.568 4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.954 -12.220 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.370 -8.379 6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.075 -13.246 6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.493 -9.401 8.570 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.847 -11.837 8.643 1.00 0.00 H new ATOM 876 N TRP A 61 0.891 -7.475 4.990 1.00 0.00 N ATOM 877 CA TRP A 61 0.318 -6.173 4.672 1.00 0.00 C ATOM 878 C TRP A 61 0.876 -5.095 5.595 1.00 0.00 C ATOM 879 O TRP A 61 0.512 -5.020 6.769 1.00 0.00 O ATOM 880 CB TRP A 61 -1.206 -6.219 4.786 1.00 0.00 C ATOM 881 CG TRP A 61 -1.856 -7.073 3.741 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.350 -8.335 3.905 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.081 -6.728 2.370 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.870 -8.796 2.719 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.716 -7.828 1.762 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.808 -5.596 1.596 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -3.082 -7.828 0.418 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.172 -5.598 0.263 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.804 -6.706 -0.314 1.00 0.00 C ATOM 0 H TRP A 61 0.956 -7.674 5.988 1.00 0.00 H new ATOM 0 HA TRP A 61 0.590 -5.926 3.646 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.478 -6.595 5.772 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.599 -5.205 4.712 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.335 -8.890 4.831 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.300 -9.710 2.575 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.322 -4.736 2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.567 -8.682 -0.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.965 -4.729 -0.345 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.078 -6.674 -1.358 1.00 0.00 H new ATOM 900 N ALA A 62 1.762 -4.263 5.058 1.00 0.00 N ATOM 901 CA ALA A 62 2.372 -3.191 5.837 1.00 0.00 C ATOM 902 C ALA A 62 1.522 -1.925 5.787 1.00 0.00 C ATOM 903 O ALA A 62 1.220 -1.410 4.712 1.00 0.00 O ATOM 904 CB ALA A 62 3.776 -2.905 5.329 1.00 0.00 C ATOM 0 H ALA A 62 2.074 -4.310 4.088 1.00 0.00 H new ATOM 0 HA ALA A 62 2.432 -3.517 6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.220 -2.103 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.386 -3.804 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.730 -2.603 4.283 1.00 0.00 H new ATOM 910 N GLY A 63 1.143 -1.428 6.960 1.00 0.00 N ATOM 911 CA GLY A 63 0.335 -0.225 7.027 1.00 0.00 C ATOM 912 C GLY A 63 1.172 1.026 7.206 1.00 0.00 C ATOM 913 O GLY A 63 1.380 1.487 8.327 1.00 0.00 O ATOM 0 H GLY A 63 1.381 -1.836 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.255 -0.136 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.369 -0.309 7.855 1.00 0.00 H new ATOM 917 N VAL A 64 1.656 1.573 6.096 1.00 0.00 N ATOM 918 CA VAL A 64 2.477 2.776 6.132 1.00 0.00 C ATOM 919 C VAL A 64 1.623 4.020 6.348 1.00 0.00 C ATOM 920 O VAL A 64 0.483 4.090 5.890 1.00 0.00 O ATOM 921 CB VAL A 64 3.286 2.942 4.832 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.275 4.091 4.960 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.005 1.647 4.481 1.00 0.00 C ATOM 0 H VAL A 64 1.493 1.201 5.160 1.00 0.00 H new ATOM 0 HA VAL A 64 3.166 2.663 6.969 1.00 0.00 H new ATOM 0 HB VAL A 64 2.594 3.178 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.837 4.192 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.734 5.016 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.963 3.889 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.571 1.783 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.686 1.378 5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.274 0.851 4.343 1.00 0.00 H new ATOM 933 N GLU A 65 2.184 5.001 7.048 1.00 0.00 N ATOM 934 CA GLU A 65 1.475 6.245 7.324 1.00 0.00 C ATOM 935 C GLU A 65 2.083 7.404 6.540 1.00 0.00 C ATOM 936 O GLU A 65 3.108 7.962 6.933 1.00 0.00 O ATOM 937 CB GLU A 65 1.510 6.554 8.822 1.00 0.00 C ATOM 938 CG GLU A 65 0.239 7.210 9.337 1.00 0.00 C ATOM 939 CD GLU A 65 0.516 8.443 10.175 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.545 8.462 10.883 1.00 0.00 O ATOM 941 OE2 GLU A 65 -0.297 9.391 10.123 1.00 0.00 O ATOM 0 H GLU A 65 3.127 4.958 7.434 1.00 0.00 H new ATOM 0 HA GLU A 65 0.439 6.121 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.680 5.628 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.357 7.208 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.392 7.484 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.322 6.489 9.932 1.00 0.00 H new ATOM 948 N LEU A 66 1.446 7.759 5.430 1.00 0.00 N ATOM 949 CA LEU A 66 1.926 8.851 4.590 1.00 0.00 C ATOM 950 C LEU A 66 1.874 10.178 5.339 1.00 0.00 C ATOM 951 O LEU A 66 0.998 10.397 6.175 1.00 0.00 O ATOM 952 CB LEU A 66 1.090 8.942 3.310 1.00 0.00 C ATOM 953 CG LEU A 66 0.928 7.626 2.547 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.053 7.794 1.397 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.275 7.139 2.034 1.00 0.00 C ATOM 0 H LEU A 66 0.597 7.307 5.091 1.00 0.00 H new ATOM 0 HA LEU A 66 2.963 8.644 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.100 9.320 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.548 9.675 2.646 1.00 0.00 H new ATOM 0 HG LEU A 66 0.529 6.877 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.156 6.848 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.024 8.098 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.317 8.557 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.141 6.202 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.701 7.886 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.949 6.980 2.876 1.00 0.00 H new ATOM 967 N ASP A 67 2.820 11.061 5.033 1.00 0.00 N ATOM 968 CA ASP A 67 2.883 12.368 5.679 1.00 0.00 C ATOM 969 C ASP A 67 1.661 13.209 5.324 1.00 0.00 C ATOM 970 O ASP A 67 1.099 13.896 6.176 1.00 0.00 O ATOM 971 CB ASP A 67 4.160 13.101 5.267 1.00 0.00 C ATOM 972 CG ASP A 67 5.327 12.789 6.183 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.380 13.356 7.294 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.189 11.974 5.789 1.00 0.00 O ATOM 0 H ASP A 67 3.553 10.896 4.343 1.00 0.00 H new ATOM 0 HA ASP A 67 2.893 12.214 6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.420 12.825 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.976 14.175 5.270 1.00 0.00 H new ATOM 979 N LYS A 68 1.257 13.150 4.059 1.00 0.00 N ATOM 980 CA LYS A 68 0.101 13.905 3.589 1.00 0.00 C ATOM 981 C LYS A 68 -1.036 12.965 3.197 1.00 0.00 C ATOM 982 O LYS A 68 -0.836 11.758 3.064 1.00 0.00 O ATOM 983 CB LYS A 68 0.490 14.781 2.396 1.00 0.00 C ATOM 984 CG LYS A 68 0.813 16.218 2.776 1.00 0.00 C ATOM 985 CD LYS A 68 0.061 17.212 1.904 1.00 0.00 C ATOM 986 CE LYS A 68 0.709 18.586 1.942 1.00 0.00 C ATOM 987 NZ LYS A 68 -0.082 19.594 1.182 1.00 0.00 N ATOM 0 H LYS A 68 1.713 12.587 3.341 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.243 14.544 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.356 14.342 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.326 14.780 1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.556 16.384 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.885 16.388 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.034 16.849 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.972 17.286 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.812 18.911 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.715 18.525 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.393 20.518 1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.159 19.298 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.034 19.671 1.595 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.251 13.508 3.005 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.419 12.708 2.624 1.00 0.00 C ATOM 1003 C PRO A 69 -3.287 12.125 1.221 1.00 0.00 C ATOM 1004 O PRO A 69 -3.922 12.598 0.278 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.578 13.708 2.686 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.941 15.043 2.513 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.579 14.940 3.141 1.00 0.00 C ATOM 0 HA PRO A 69 -3.553 11.846 3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.309 13.514 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.106 13.642 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.865 15.304 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.533 15.822 2.992 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.851 15.570 2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.593 15.252 4.185 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.455 11.097 1.091 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.235 10.448 -0.197 1.00 0.00 C ATOM 1017 C GLU A 70 -2.526 8.953 -0.112 1.00 0.00 C ATOM 1018 O GLU A 70 -1.924 8.152 -0.828 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.796 10.672 -0.665 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.610 11.942 -1.478 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.984 11.759 -2.937 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -0.823 10.634 -3.455 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -1.438 12.742 -3.560 1.00 0.00 O ATOM 0 H GLU A 70 -1.922 10.695 1.862 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.919 10.892 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.142 10.709 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.481 9.818 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.218 12.737 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.429 12.264 -1.410 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.450 8.582 0.769 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.803 7.184 0.930 1.00 0.00 C ATOM 1032 C GLY A 71 -5.286 6.935 0.742 1.00 0.00 C ATOM 1033 O GLY A 71 -5.928 7.572 -0.094 1.00 0.00 O ATOM 0 H GLY A 71 -3.960 9.225 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.243 6.586 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.505 6.849 1.923 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.834 6.009 1.522 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.252 5.679 1.437 1.00 0.00 C ATOM 1039 C ASN A 72 -7.679 4.803 2.610 1.00 0.00 C ATOM 1040 O ASN A 72 -8.540 3.935 2.467 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.553 4.967 0.117 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.799 3.659 -0.021 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.486 3.749 -0.201 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.389 2.580 0.035 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.318 5.474 2.220 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.819 6.609 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.624 4.775 0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.292 5.623 -0.714 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.399 2.558 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.868 1.708 -0.058 1.00 0.00 H new ATOM 1051 N ASN A 73 -7.071 5.037 3.767 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.388 4.269 4.966 1.00 0.00 C ATOM 1053 C ASN A 73 -6.991 5.035 6.224 1.00 0.00 C ATOM 1054 O ASN A 73 -6.186 5.965 6.168 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.678 2.915 4.934 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.278 1.972 3.911 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.496 1.811 3.835 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.422 1.340 3.115 1.00 0.00 N ATOM 0 H ASN A 73 -6.356 5.752 3.901 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.465 4.105 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.622 3.067 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.731 2.457 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.767 0.692 2.407 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.420 1.503 3.212 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.561 4.640 7.356 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.266 5.290 8.628 1.00 0.00 C ATOM 1067 C ASN A 74 -6.795 4.274 9.664 1.00 0.00 C ATOM 1068 O ASN A 74 -7.002 4.455 10.864 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.501 6.028 9.147 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.749 5.169 9.107 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -10.520 5.219 8.149 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -9.955 4.376 10.151 1.00 0.00 N ATOM 0 H ASN A 74 -8.230 3.873 7.420 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.464 6.009 8.461 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.321 6.355 10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.662 6.925 8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.779 3.776 10.181 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.289 4.367 10.924 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.161 3.204 9.193 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.671 2.177 10.093 1.00 0.00 C ATOM 1081 C GLY A 75 -6.642 1.023 10.243 1.00 0.00 C ATOM 1082 O GLY A 75 -6.232 -0.126 10.408 1.00 0.00 O ATOM 0 H GLY A 75 -5.978 3.031 8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.718 1.799 9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.481 2.617 11.072 1.00 0.00 H new ATOM 1086 N THR A 76 -7.936 1.327 10.187 1.00 0.00 N ATOM 1087 CA THR A 76 -8.968 0.305 10.320 1.00 0.00 C ATOM 1088 C THR A 76 -9.444 -0.167 8.949 1.00 0.00 C ATOM 1089 O THR A 76 -10.206 0.524 8.274 1.00 0.00 O ATOM 1090 CB THR A 76 -10.150 0.845 11.124 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.702 1.702 12.161 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.990 -0.242 11.758 1.00 0.00 C ATOM 0 H THR A 76 -8.294 2.272 10.050 1.00 0.00 H new ATOM 0 HA THR A 76 -8.537 -0.545 10.849 1.00 0.00 H new ATOM 0 HB THR A 76 -10.766 1.384 10.404 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.473 2.039 12.663 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.811 0.210 12.314 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.392 -0.891 10.980 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.372 -0.829 12.438 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.990 -1.349 8.546 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.370 -1.915 7.257 1.00 0.00 C ATOM 1102 C TYR A 77 -10.651 -2.734 7.380 1.00 0.00 C ATOM 1103 O TYR A 77 -10.636 -3.857 7.883 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.242 -2.790 6.708 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.287 -2.966 5.207 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.356 -3.611 4.596 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.262 -2.488 4.402 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.400 -3.774 3.224 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.300 -2.646 3.030 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.370 -3.290 2.446 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.411 -3.450 1.081 1.00 0.00 O ATOM 0 H TYR A 77 -8.358 -1.934 9.094 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.551 -1.092 6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.284 -2.349 6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.291 -3.770 7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.165 -3.991 5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.421 -1.984 4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.237 -4.278 2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.495 -2.267 2.418 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.610 -3.052 0.681 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.759 -2.163 6.918 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.049 -2.840 6.976 1.00 0.00 C ATOM 1123 C ASP A 78 -13.442 -3.140 8.420 1.00 0.00 C ATOM 1124 O ASP A 78 -14.130 -4.122 8.696 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.005 -4.137 6.163 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.627 -3.980 4.789 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -13.134 -3.140 4.008 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.607 -4.696 4.496 1.00 0.00 O ATOM 0 H ASP A 78 -11.789 -1.233 6.499 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.800 -2.177 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.970 -4.460 6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.529 -4.922 6.708 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.997 -2.288 9.337 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.312 -2.478 10.741 1.00 0.00 C ATOM 1135 C GLY A 79 -12.134 -3.008 11.534 1.00 0.00 C ATOM 1136 O GLY A 79 -12.023 -2.759 12.734 1.00 0.00 O ATOM 0 H GLY A 79 -12.424 -1.469 9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.636 -1.529 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.148 -3.171 10.832 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.252 -3.742 10.862 1.00 0.00 N ATOM 1141 CA ILE A 80 -10.077 -4.309 11.512 1.00 0.00 C ATOM 1142 C ILE A 80 -9.031 -3.235 11.790 1.00 0.00 C ATOM 1143 O ILE A 80 -8.333 -2.783 10.883 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.440 -5.419 10.655 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.512 -6.392 10.159 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.374 -6.158 11.452 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.304 -7.037 11.274 1.00 0.00 C ATOM 0 H ILE A 80 -11.329 -3.958 9.868 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.415 -4.738 12.456 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.965 -4.960 9.788 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.197 -5.860 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.036 -7.172 9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.933 -6.939 10.833 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.598 -5.457 11.759 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.827 -6.608 12.336 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.045 -7.714 10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.630 -7.597 11.922 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.808 -6.265 11.856 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.927 -2.830 13.052 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.966 -1.808 13.450 1.00 0.00 C ATOM 1161 C ALA A 81 -6.560 -2.389 13.553 1.00 0.00 C ATOM 1162 O ALA A 81 -6.370 -3.499 14.052 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.379 -1.183 14.774 1.00 0.00 C ATOM 0 H ALA A 81 -9.496 -3.194 13.816 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.956 -1.034 12.683 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.653 -0.422 15.059 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.363 -0.725 14.669 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.418 -1.954 15.544 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.576 -1.631 13.078 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.185 -2.070 13.117 1.00 0.00 C ATOM 1171 C TYR A 82 -3.290 -0.987 13.711 1.00 0.00 C ATOM 1172 O TYR A 82 -2.511 -1.246 14.628 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.704 -2.433 11.711 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.227 -3.761 11.213 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.691 -4.957 11.674 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.258 -3.819 10.285 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.166 -6.173 11.221 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.741 -5.031 9.828 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.191 -6.205 10.299 1.00 0.00 C ATOM 1180 OH TYR A 82 -5.667 -7.414 9.846 1.00 0.00 O ATOM 0 H TYR A 82 -5.716 -0.710 12.662 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.125 -2.954 13.753 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.010 -1.649 11.018 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.614 -2.456 11.704 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.890 -4.936 12.398 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.690 -2.901 9.914 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.737 -7.094 11.587 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.544 -5.058 9.107 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.389 -7.261 9.201 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.407 0.226 13.182 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.607 1.349 13.660 1.00 0.00 C ATOM 1192 C PHE A 83 -3.438 2.627 13.705 1.00 0.00 C ATOM 1193 O PHE A 83 -4.542 2.682 13.164 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.386 1.552 12.762 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.728 1.722 11.309 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.989 0.619 10.512 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.789 2.985 10.743 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.304 0.773 9.175 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.103 3.145 9.406 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.361 2.038 8.621 1.00 0.00 C ATOM 0 H PHE A 83 -4.047 0.457 12.423 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.271 1.119 14.671 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.837 2.430 13.102 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.719 0.697 12.872 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.946 -0.372 10.940 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.589 3.854 11.353 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.505 -0.094 8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.147 4.135 8.976 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.607 2.161 7.577 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.900 3.654 14.356 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.591 4.932 14.472 1.00 0.00 C ATOM 1212 C GLU A 84 -3.029 5.948 13.482 1.00 0.00 C ATOM 1213 O GLU A 84 -1.814 6.103 13.360 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.471 5.473 15.898 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.274 6.740 16.138 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.869 7.455 17.413 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -4.007 6.856 18.499 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -3.411 8.614 17.323 1.00 0.00 O ATOM 0 H GLU A 84 -1.988 3.625 14.811 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.643 4.769 14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.802 4.705 16.598 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.421 5.672 16.115 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.144 7.414 15.291 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.334 6.490 16.187 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.922 6.636 12.778 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.514 7.636 11.799 1.00 0.00 C ATOM 1227 C CYS A 85 -4.698 8.505 11.383 1.00 0.00 C ATOM 1228 O CYS A 85 -5.799 8.367 11.916 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.907 6.961 10.568 1.00 0.00 C ATOM 1230 SG CYS A 85 -4.053 5.883 9.678 1.00 0.00 S ATOM 0 H CYS A 85 -4.931 6.519 12.867 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.761 8.274 12.263 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.545 7.731 9.886 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.041 6.376 10.877 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.615 4.660 9.714 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.463 9.397 10.428 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.509 10.289 9.940 1.00 0.00 C ATOM 1238 C LYS A 86 -6.628 9.497 9.270 1.00 0.00 C ATOM 1239 O LYS A 86 -6.685 8.272 9.376 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.923 11.307 8.958 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.963 12.737 9.471 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.628 13.156 10.064 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.341 14.626 9.810 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.699 15.279 10.984 1.00 0.00 N ATOM 0 H LYS A 86 -3.557 9.522 9.976 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.928 10.822 10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.890 11.036 8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.472 11.251 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.226 13.410 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.743 12.832 10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.630 12.965 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.831 12.549 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.691 14.724 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.272 15.141 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.520 16.281 10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.330 15.209 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.798 14.804 11.196 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.517 10.206 8.580 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.634 9.569 7.893 1.00 0.00 C ATOM 1260 C GLU A 87 -8.158 8.831 6.645 1.00 0.00 C ATOM 1261 O GLU A 87 -8.486 7.663 6.441 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.686 10.613 7.512 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.115 10.134 7.705 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.770 9.716 6.403 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.526 8.575 5.956 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.527 10.529 5.831 1.00 0.00 O ATOM 0 H GLU A 87 -7.485 11.221 8.482 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.080 8.843 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.528 11.511 8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.544 10.896 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.122 9.292 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.702 10.929 8.164 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.382 9.521 5.815 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.861 8.931 4.588 1.00 0.00 C ATOM 1275 C LYS A 88 -5.357 9.161 4.469 1.00 0.00 C ATOM 1276 O LYS A 88 -4.872 9.671 3.459 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.580 9.516 3.371 1.00 0.00 C ATOM 1278 CG LYS A 88 -9.061 9.174 3.317 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.552 9.034 1.884 1.00 0.00 C ATOM 1280 CE LYS A 88 -10.460 10.188 1.489 1.00 0.00 C ATOM 1281 NZ LYS A 88 -9.735 11.221 0.699 1.00 0.00 N ATOM 0 H LYS A 88 -7.100 10.489 5.970 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.042 7.857 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.466 10.600 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.098 9.151 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.240 8.244 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.633 9.951 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.698 8.994 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.090 8.092 1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.298 9.807 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.878 10.644 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.389 11.990 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.951 11.604 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.358 10.792 -0.170 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.622 8.780 5.510 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.172 8.944 5.524 1.00 0.00 C ATOM 1297 C HIS A 89 -2.474 7.590 5.460 1.00 0.00 C ATOM 1298 O HIS A 89 -1.503 7.415 4.724 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.735 9.698 6.781 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.669 11.183 6.595 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.516 11.923 6.732 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.647 12.068 6.276 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.821 13.206 6.498 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -3.102 13.348 6.217 1.00 0.00 N ATOM 0 H HIS A 89 -5.007 8.356 6.354 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.887 9.523 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.429 9.472 7.590 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.755 9.335 7.091 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.593 11.559 6.970 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.683 11.819 6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.111 14.019 6.535 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.975 6.634 6.236 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.388 5.308 6.251 1.00 0.00 C ATOM 1314 C GLY A 90 -2.822 4.469 5.065 1.00 0.00 C ATOM 1315 O GLY A 90 -3.965 4.562 4.617 1.00 0.00 O ATOM 0 H GLY A 90 -3.777 6.755 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.301 5.395 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.669 4.800 7.174 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.908 3.649 4.557 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.204 2.792 3.415 1.00 0.00 C ATOM 1321 C ILE A 91 -1.522 1.434 3.557 1.00 0.00 C ATOM 1322 O ILE A 91 -0.336 1.354 3.878 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.761 3.448 2.092 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.170 2.579 0.899 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.258 3.685 2.091 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.009 3.271 -0.437 1.00 0.00 C ATOM 0 H ILE A 91 -0.958 3.560 4.917 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.284 2.650 3.394 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.260 4.413 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.572 1.668 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.210 2.277 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.037 4.149 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.007 4.343 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.261 2.733 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.317 2.596 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.629 4.167 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.965 3.549 -0.579 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.280 0.369 3.313 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.749 -0.986 3.413 1.00 0.00 C ATOM 1340 C PHE A 92 -1.152 -1.434 2.082 1.00 0.00 C ATOM 1341 O PHE A 92 -1.847 -1.496 1.068 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.849 -1.956 3.843 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.478 -1.606 5.161 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.387 -0.564 5.255 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.161 -2.319 6.307 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.968 -0.240 6.467 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.739 -2.000 7.521 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.643 -0.959 7.601 1.00 0.00 C ATOM 0 H PHE A 92 -3.263 0.418 3.045 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.960 -0.987 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.623 -1.978 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.432 -2.961 3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.644 0.001 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.454 -3.133 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.675 0.574 6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.484 -2.564 8.406 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.095 -0.707 8.549 1.00 0.00 H new ATOM 1358 N ALA A 93 0.139 -1.745 2.094 1.00 0.00 N ATOM 1359 CA ALA A 93 0.829 -2.188 0.889 1.00 0.00 C ATOM 1360 C ALA A 93 1.626 -3.464 1.148 1.00 0.00 C ATOM 1361 O ALA A 93 2.182 -3.648 2.232 1.00 0.00 O ATOM 1362 CB ALA A 93 1.745 -1.089 0.373 1.00 0.00 C ATOM 0 H ALA A 93 0.729 -1.698 2.925 1.00 0.00 H new ATOM 0 HA ALA A 93 0.078 -2.408 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.254 -1.433 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.155 -0.203 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.483 -0.843 1.136 1.00 0.00 H new ATOM 1368 N PRO A 94 1.693 -4.368 0.155 1.00 0.00 N ATOM 1369 CA PRO A 94 2.429 -5.631 0.287 1.00 0.00 C ATOM 1370 C PRO A 94 3.875 -5.413 0.724 1.00 0.00 C ATOM 1371 O PRO A 94 4.400 -4.304 0.629 1.00 0.00 O ATOM 1372 CB PRO A 94 2.381 -6.224 -1.124 1.00 0.00 C ATOM 1373 CG PRO A 94 1.177 -5.614 -1.754 1.00 0.00 C ATOM 1374 CD PRO A 94 1.062 -4.233 -1.171 1.00 0.00 C ATOM 0 HA PRO A 94 1.994 -6.278 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.285 -5.984 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.304 -7.311 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.282 -5.573 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.285 -6.203 -1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.574 -3.493 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.022 -3.916 -1.091 1.00 0.00 H new ATOM 1382 N PRO A 95 4.542 -6.475 1.209 1.00 0.00 N ATOM 1383 CA PRO A 95 5.936 -6.394 1.660 1.00 0.00 C ATOM 1384 C PRO A 95 6.889 -6.033 0.525 1.00 0.00 C ATOM 1385 O PRO A 95 7.842 -5.279 0.718 1.00 0.00 O ATOM 1386 CB PRO A 95 6.233 -7.804 2.180 1.00 0.00 C ATOM 1387 CG PRO A 95 5.222 -8.679 1.522 1.00 0.00 C ATOM 1388 CD PRO A 95 3.993 -7.834 1.354 1.00 0.00 C ATOM 0 HA PRO A 95 6.074 -5.615 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.247 -8.113 1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.148 -7.850 3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.584 -9.038 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.011 -9.558 2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.415 -8.131 0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.329 -7.911 2.215 1.00 0.00 H new ATOM 1396 N GLN A 96 6.622 -6.575 -0.658 1.00 0.00 N ATOM 1397 CA GLN A 96 7.456 -6.309 -1.826 1.00 0.00 C ATOM 1398 C GLN A 96 7.492 -4.815 -2.142 1.00 0.00 C ATOM 1399 O GLN A 96 8.440 -4.324 -2.755 1.00 0.00 O ATOM 1400 CB GLN A 96 6.935 -7.085 -3.037 1.00 0.00 C ATOM 1401 CG GLN A 96 5.441 -6.924 -3.267 1.00 0.00 C ATOM 1402 CD GLN A 96 5.115 -6.408 -4.654 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.815 -5.549 -5.191 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.045 -6.930 -5.243 1.00 0.00 N ATOM 0 H GLN A 96 5.836 -7.201 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 96 8.470 -6.638 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.469 -6.753 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.162 -8.143 -2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.949 -7.885 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.035 -6.238 -2.524 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.493 -7.640 -4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.775 -6.621 -6.177 1.00 0.00 H new ATOM 1413 N LYS A 97 6.455 -4.098 -1.718 1.00 0.00 N ATOM 1414 CA LYS A 97 6.372 -2.662 -1.955 1.00 0.00 C ATOM 1415 C LYS A 97 6.839 -1.879 -0.732 1.00 0.00 C ATOM 1416 O LYS A 97 6.307 -0.812 -0.426 1.00 0.00 O ATOM 1417 CB LYS A 97 4.937 -2.266 -2.310 1.00 0.00 C ATOM 1418 CG LYS A 97 4.417 -2.932 -3.573 1.00 0.00 C ATOM 1419 CD LYS A 97 4.824 -2.160 -4.817 1.00 0.00 C ATOM 1420 CE LYS A 97 3.709 -1.245 -5.295 1.00 0.00 C ATOM 1421 NZ LYS A 97 2.602 -2.005 -5.939 1.00 0.00 N ATOM 0 H LYS A 97 5.662 -4.488 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 97 7.028 -2.419 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.282 -2.523 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.887 -1.184 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.801 -3.950 -3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.330 -3.004 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.715 -1.569 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.087 -2.859 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.317 -0.679 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.112 -0.521 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.965 -1.344 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.997 -2.678 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.069 -2.525 -5.213 1.00 0.00 H new ATOM 1435 N ILE A 98 7.836 -2.416 -0.037 1.00 0.00 N ATOM 1436 CA ILE A 98 8.375 -1.768 1.152 1.00 0.00 C ATOM 1437 C ILE A 98 9.896 -1.688 1.093 1.00 0.00 C ATOM 1438 O ILE A 98 10.567 -2.663 0.754 1.00 0.00 O ATOM 1439 CB ILE A 98 7.961 -2.512 2.436 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.459 -2.797 2.425 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.345 -1.701 3.665 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.608 -1.550 2.321 1.00 0.00 C ATOM 0 H ILE A 98 8.287 -3.299 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 98 7.961 -0.760 1.176 1.00 0.00 H new ATOM 0 HB ILE A 98 8.491 -3.464 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.228 -3.455 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.193 -3.334 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.046 -2.240 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.424 -1.546 3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.840 -0.735 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.554 -1.828 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.810 -0.900 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.846 -1.023 1.397 1.00 0.00 H new ATOM 1454 N SER A 99 10.436 -0.519 1.424 1.00 0.00 N ATOM 1455 CA SER A 99 11.878 -0.313 1.409 1.00 0.00 C ATOM 1456 C SER A 99 12.278 0.804 2.368 1.00 0.00 C ATOM 1457 O SER A 99 11.425 1.438 2.990 1.00 0.00 O ATOM 1458 CB SER A 99 12.351 0.022 -0.007 1.00 0.00 C ATOM 1459 OG SER A 99 11.689 -0.780 -0.969 1.00 0.00 O ATOM 0 H SER A 99 9.896 0.299 1.706 1.00 0.00 H new ATOM 0 HA SER A 99 12.355 -1.237 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.164 1.075 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.428 -0.131 -0.080 1.00 0.00 H new ATOM 0 HG SER A 99 12.008 -0.545 -1.866 1.00 0.00 H new ATOM 1465 N HIS A 100 13.581 1.041 2.483 1.00 0.00 N ATOM 1466 CA HIS A 100 14.094 2.082 3.364 1.00 0.00 C ATOM 1467 C HIS A 100 14.294 3.389 2.604 1.00 0.00 C ATOM 1468 O HIS A 100 14.870 3.403 1.516 1.00 0.00 O ATOM 1469 CB HIS A 100 15.414 1.639 3.998 1.00 0.00 C ATOM 1470 CG HIS A 100 15.248 0.592 5.056 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.132 -0.755 4.792 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.180 0.717 6.406 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.999 -1.393 5.963 1.00 0.00 C ATOM 1474 NE2 HIS A 100 15.022 -0.545 6.973 1.00 0.00 N ATOM 0 H HIS A 100 14.301 0.525 1.976 1.00 0.00 H new ATOM 0 HA HIS A 100 13.360 2.250 4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.071 1.255 3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.909 2.508 4.432 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.239 1.646 6.953 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.888 -2.462 6.066 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.941 -0.768 7.965 1.00 0.00 H new ATOM 1482 N ILE A 101 13.813 4.485 3.183 1.00 0.00 N ATOM 1483 CA ILE A 101 13.939 5.796 2.558 1.00 0.00 C ATOM 1484 C ILE A 101 15.406 6.210 2.441 1.00 0.00 C ATOM 1485 O ILE A 101 16.134 6.218 3.434 1.00 0.00 O ATOM 1486 CB ILE A 101 13.174 6.874 3.351 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.731 6.430 3.599 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.205 8.202 2.608 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.907 7.445 4.361 1.00 0.00 C ATOM 0 H ILE A 101 13.333 4.491 4.083 1.00 0.00 H new ATOM 0 HA ILE A 101 13.506 5.715 1.561 1.00 0.00 H new ATOM 0 HB ILE A 101 13.663 7.008 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.251 6.231 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.739 5.491 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.660 8.952 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.239 8.523 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.738 8.083 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.896 7.062 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.363 7.627 5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.868 8.378 3.799 1.00 0.00 H new ATOM 1501 N PRO A 102 15.864 6.560 1.225 1.00 0.00 N ATOM 1502 CA PRO A 102 17.252 6.975 0.995 1.00 0.00 C ATOM 1503 C PRO A 102 17.677 8.110 1.920 1.00 0.00 C ATOM 1504 O PRO A 102 16.838 8.798 2.500 1.00 0.00 O ATOM 1505 CB PRO A 102 17.251 7.445 -0.462 1.00 0.00 C ATOM 1506 CG PRO A 102 16.109 6.727 -1.093 1.00 0.00 C ATOM 1507 CD PRO A 102 15.069 6.582 -0.018 1.00 0.00 C ATOM 0 HA PRO A 102 17.955 6.166 1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.124 8.526 -0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.192 7.203 -0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.717 7.286 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.420 5.753 -1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.362 7.411 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.489 5.667 -0.141 1.00 0.00 H new