USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 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 THR OG1 : rot -17:sc= 0.049 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Set 3.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 62 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.6!) USER MOD Single : A 30 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.8) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 165:sc= -0.0323 (180deg=-0.325) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.524 K(o=-0.52,f=-5.4!) USER MOD Single : A 46 MET CE :methyl -138:sc= -0.0307 (180deg=-1.12) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.879) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 170:sc= 0.0105 USER MOD Single : A 65 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 66 GLN : amide:sc= -0.374 K(o=-0.37,f=-2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -170:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3! C(o=-3!,f=-4.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0797 USER MOD Single : A 81 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.5) USER MOD Single : A 83 GLN : amide:sc= -3.49! C(o=-3.5!,f=-13!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.152 7.629 3.459 1.00 0.00 N ATOM 398 CA GLU A 28 6.026 8.514 3.735 1.00 0.00 C ATOM 399 C GLU A 28 5.123 8.644 2.512 1.00 0.00 C ATOM 400 O GLU A 28 5.600 8.831 1.393 1.00 0.00 O ATOM 401 CB GLU A 28 6.527 9.895 4.162 1.00 0.00 C ATOM 402 CG GLU A 28 5.446 10.776 4.766 1.00 0.00 C ATOM 403 CD GLU A 28 5.303 10.581 6.263 1.00 0.00 C ATOM 404 OE1 GLU A 28 5.624 9.478 6.751 1.00 0.00 O ATOM 405 OE2 GLU A 28 4.870 11.533 6.945 1.00 0.00 O ATOM 0 HA GLU A 28 5.446 8.078 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.331 9.772 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.954 10.401 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.677 11.821 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.494 10.559 4.283 1.00 0.00 H new ATOM 412 N TRP A 29 3.818 8.543 2.734 1.00 0.00 N ATOM 413 CA TRP A 29 2.848 8.649 1.650 1.00 0.00 C ATOM 414 C TRP A 29 1.735 9.628 2.009 1.00 0.00 C ATOM 415 O TRP A 29 1.000 9.418 2.974 1.00 0.00 O ATOM 416 CB TRP A 29 2.253 7.275 1.335 1.00 0.00 C ATOM 417 CG TRP A 29 3.186 6.387 0.569 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.277 5.727 1.059 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.110 6.062 -0.824 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.884 5.012 0.055 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.187 5.200 -1.110 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.236 6.413 -1.856 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.412 4.687 -2.384 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.461 5.903 -3.121 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.541 5.048 -3.376 1.00 0.00 C ATOM 0 H TRP A 29 3.407 8.388 3.654 1.00 0.00 H new ATOM 0 HA TRP A 29 3.366 9.024 0.767 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.978 6.783 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.335 7.407 0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.613 5.762 2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.718 4.435 0.160 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.400 7.071 -1.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.244 4.028 -2.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.793 6.168 -3.927 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.689 4.666 -4.375 1.00 0.00 H new ATOM 436 N GLN A 30 1.617 10.696 1.227 1.00 0.00 N ATOM 437 CA GLN A 30 0.594 11.707 1.464 1.00 0.00 C ATOM 438 C GLN A 30 -0.296 11.879 0.238 1.00 0.00 C ATOM 439 O GLN A 30 0.134 11.640 -0.891 1.00 0.00 O ATOM 440 CB GLN A 30 1.242 13.043 1.831 1.00 0.00 C ATOM 441 CG GLN A 30 2.238 12.942 2.975 1.00 0.00 C ATOM 442 CD GLN A 30 2.691 14.299 3.475 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.939 15.011 4.141 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.927 14.666 3.157 1.00 0.00 N ATOM 0 H GLN A 30 2.217 10.883 0.424 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.026 11.372 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.749 13.445 0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.461 13.754 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.786 12.388 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.107 12.372 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.517 14.045 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.287 15.569 3.467 1.00 0.00 H new ATOM 453 N TYR A 31 -1.536 12.295 0.466 1.00 0.00 N ATOM 454 CA TYR A 31 -2.487 12.497 -0.620 1.00 0.00 C ATOM 455 C TYR A 31 -2.963 13.945 -0.666 1.00 0.00 C ATOM 456 O TYR A 31 -3.227 14.557 0.370 1.00 0.00 O ATOM 457 CB TYR A 31 -3.686 11.560 -0.458 1.00 0.00 C ATOM 458 CG TYR A 31 -4.564 11.899 0.725 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.175 11.575 2.019 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.783 12.542 0.549 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.974 11.882 3.103 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.587 12.854 1.627 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.179 12.522 2.902 1.00 0.00 C ATOM 464 OH TYR A 31 -6.979 12.831 3.979 1.00 0.00 O ATOM 0 H TYR A 31 -1.907 12.499 1.394 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.980 12.270 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.287 11.592 -1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.325 10.537 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.232 11.074 2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.107 12.802 -0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.657 11.622 4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.531 13.356 1.473 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.791 13.281 3.665 1.00 0.00 H new ATOM 474 N ILE A 32 -3.071 14.488 -1.874 1.00 0.00 N ATOM 475 CA ILE A 32 -3.517 15.864 -2.056 1.00 0.00 C ATOM 476 C ILE A 32 -5.022 15.928 -2.290 1.00 0.00 C ATOM 477 O ILE A 32 -5.510 15.573 -3.363 1.00 0.00 O ATOM 478 CB ILE A 32 -2.796 16.537 -3.239 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.375 16.937 -2.837 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.579 17.752 -3.714 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.342 15.870 -3.125 1.00 0.00 C ATOM 0 H ILE A 32 -2.856 13.996 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.272 16.399 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.734 15.824 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.100 17.850 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.359 17.169 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.057 18.217 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.573 17.441 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.668 18.469 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.642 16.223 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.593 14.963 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.330 15.655 -4.193 1.00 0.00 H new ATOM 493 N ASP A 33 -5.753 16.384 -1.279 1.00 0.00 N ATOM 494 CA ASP A 33 -7.204 16.498 -1.375 1.00 0.00 C ATOM 495 C ASP A 33 -7.599 17.673 -2.265 1.00 0.00 C ATOM 496 O ASP A 33 -6.767 18.512 -2.609 1.00 0.00 O ATOM 497 CB ASP A 33 -7.817 16.666 0.016 1.00 0.00 C ATOM 498 CG ASP A 33 -9.329 16.769 -0.026 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.992 15.717 -0.154 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.850 17.899 0.070 1.00 0.00 O ATOM 0 H ASP A 33 -5.365 16.681 -0.384 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.587 15.581 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.531 15.820 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.408 17.561 0.485 1.00 0.00 H new ATOM 505 N LYS A 34 -8.874 17.726 -2.634 1.00 0.00 N ATOM 506 CA LYS A 34 -9.382 18.797 -3.483 1.00 0.00 C ATOM 507 C LYS A 34 -8.571 20.074 -3.290 1.00 0.00 C ATOM 508 O LYS A 34 -7.783 20.457 -4.154 1.00 0.00 O ATOM 509 CB LYS A 34 -10.857 19.065 -3.175 1.00 0.00 C ATOM 510 CG LYS A 34 -11.746 17.845 -3.350 1.00 0.00 C ATOM 511 CD LYS A 34 -13.218 18.220 -3.323 1.00 0.00 C ATOM 512 CE LYS A 34 -13.644 18.899 -4.615 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.806 19.807 -4.407 1.00 0.00 N ATOM 0 H LYS A 34 -9.575 17.039 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.287 18.480 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.946 19.425 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.216 19.862 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.512 17.355 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.538 17.125 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.820 17.325 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.410 18.885 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.807 19.467 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.903 18.142 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.066 20.251 -5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.613 19.260 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.551 20.545 -3.720 1.00 0.00 H new ATOM 527 N ASN A 35 -8.769 20.729 -2.150 1.00 0.00 N ATOM 528 CA ASN A 35 -8.056 21.963 -1.844 1.00 0.00 C ATOM 529 C ASN A 35 -7.274 21.830 -0.540 1.00 0.00 C ATOM 530 O ASN A 35 -6.891 22.828 0.070 1.00 0.00 O ATOM 531 CB ASN A 35 -9.037 23.133 -1.746 1.00 0.00 C ATOM 532 CG ASN A 35 -8.361 24.474 -1.960 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.134 24.566 -1.984 1.00 0.00 O ATOM 534 ND2 ASN A 35 -9.162 25.521 -2.117 1.00 0.00 N ATOM 0 H ASN A 35 -9.417 20.425 -1.423 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.351 22.156 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.826 23.005 -2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.515 23.122 -0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.765 26.449 -2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.174 25.397 -2.090 1.00 0.00 H new ATOM 541 N ILE A 36 -7.040 20.591 -0.121 1.00 0.00 N ATOM 542 CA ILE A 36 -6.303 20.327 1.108 1.00 0.00 C ATOM 543 C ILE A 36 -5.223 19.273 0.886 1.00 0.00 C ATOM 544 O ILE A 36 -5.381 18.370 0.064 1.00 0.00 O ATOM 545 CB ILE A 36 -7.239 19.858 2.237 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.493 20.733 2.286 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.513 19.887 3.574 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.582 20.282 1.337 1.00 0.00 C ATOM 0 H ILE A 36 -7.350 19.754 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.835 21.266 1.403 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.543 18.831 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.886 20.734 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.218 21.761 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.188 19.553 4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.648 19.225 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.182 20.904 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.440 20.948 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.207 20.308 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.884 19.265 1.587 1.00 0.00 H new ATOM 560 N THR A 37 -4.126 19.393 1.627 1.00 0.00 N ATOM 561 CA THR A 37 -3.020 18.450 1.512 1.00 0.00 C ATOM 562 C THR A 37 -2.788 17.713 2.826 1.00 0.00 C ATOM 563 O THR A 37 -2.134 18.231 3.731 1.00 0.00 O ATOM 564 CB THR A 37 -1.717 19.160 1.098 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.966 20.031 -0.011 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.645 18.148 0.724 1.00 0.00 C ATOM 0 H THR A 37 -3.980 20.134 2.313 1.00 0.00 H new ATOM 0 HA THR A 37 -3.295 17.732 0.739 1.00 0.00 H new ATOM 0 HB THR A 37 -1.362 19.745 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.134 20.480 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.266 18.673 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.438 17.505 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.994 17.540 -0.111 1.00 0.00 H new ATOM 574 N GLN A 38 -3.326 16.501 2.923 1.00 0.00 N ATOM 575 CA GLN A 38 -3.177 15.693 4.127 1.00 0.00 C ATOM 576 C GLN A 38 -2.282 14.486 3.865 1.00 0.00 C ATOM 577 O GLN A 38 -1.835 14.266 2.739 1.00 0.00 O ATOM 578 CB GLN A 38 -4.545 15.230 4.629 1.00 0.00 C ATOM 579 CG GLN A 38 -5.481 16.373 4.989 1.00 0.00 C ATOM 580 CD GLN A 38 -6.689 15.911 5.780 1.00 0.00 C ATOM 581 OE1 GLN A 38 -7.829 16.065 5.340 1.00 0.00 O ATOM 582 NE2 GLN A 38 -6.446 15.341 6.954 1.00 0.00 N ATOM 0 H GLN A 38 -3.869 16.058 2.182 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.708 16.311 4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.015 14.615 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.406 14.596 5.505 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.934 17.116 5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.816 16.865 4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.485 15.234 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.220 15.010 7.530 1.00 0.00 H new ATOM 591 N CYS A 39 -2.026 13.708 4.911 1.00 0.00 N ATOM 592 CA CYS A 39 -1.183 12.523 4.794 1.00 0.00 C ATOM 593 C CYS A 39 -1.922 11.281 5.281 1.00 0.00 C ATOM 594 O CYS A 39 -2.895 11.378 6.030 1.00 0.00 O ATOM 595 CB CYS A 39 0.108 12.709 5.592 1.00 0.00 C ATOM 596 SG CYS A 39 -0.151 13.019 7.355 1.00 0.00 S ATOM 0 H CYS A 39 -2.390 13.876 5.849 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.934 12.387 3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.725 11.817 5.478 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.669 13.541 5.166 1.00 0.00 H new ATOM 0 HG CYS A 39 0.999 13.160 7.944 1.00 0.00 H new ATOM 602 N PHE A 40 -1.454 10.114 4.851 1.00 0.00 N ATOM 603 CA PHE A 40 -2.072 8.852 5.241 1.00 0.00 C ATOM 604 C PHE A 40 -1.586 8.411 6.618 1.00 0.00 C ATOM 605 O PHE A 40 -0.561 8.886 7.108 1.00 0.00 O ATOM 606 CB PHE A 40 -1.762 7.767 4.207 1.00 0.00 C ATOM 607 CG PHE A 40 -2.487 7.955 2.905 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.850 7.727 2.817 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.804 8.360 1.769 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.520 7.898 1.620 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.468 8.533 0.569 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.828 8.303 0.495 1.00 0.00 C ATOM 0 H PHE A 40 -0.649 10.016 4.232 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.150 9.003 5.287 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.689 7.753 4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.025 6.794 4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.396 7.412 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.741 8.543 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.583 7.715 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.924 8.848 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.350 8.440 -0.441 1.00 0.00 H new ATOM 622 N ASP A 41 -2.329 7.501 7.238 1.00 0.00 N ATOM 623 CA ASP A 41 -1.975 6.995 8.559 1.00 0.00 C ATOM 624 C ASP A 41 -0.727 6.121 8.489 1.00 0.00 C ATOM 625 O ASP A 41 -0.180 5.884 7.412 1.00 0.00 O ATOM 626 CB ASP A 41 -3.138 6.199 9.152 1.00 0.00 C ATOM 627 CG ASP A 41 -4.460 6.932 9.038 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.583 8.029 9.623 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.371 6.410 8.362 1.00 0.00 O ATOM 0 H ASP A 41 -3.181 7.098 6.847 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.763 7.848 9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.214 5.238 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.932 5.988 10.201 1.00 0.00 H new ATOM 634 N LYS A 42 -0.279 5.644 9.646 1.00 0.00 N ATOM 635 CA LYS A 42 0.905 4.796 9.718 1.00 0.00 C ATOM 636 C LYS A 42 0.616 3.410 9.150 1.00 0.00 C ATOM 637 O LYS A 42 1.513 2.741 8.638 1.00 0.00 O ATOM 638 CB LYS A 42 1.384 4.676 11.166 1.00 0.00 C ATOM 639 CG LYS A 42 0.390 3.977 12.079 1.00 0.00 C ATOM 640 CD LYS A 42 1.045 3.524 13.373 1.00 0.00 C ATOM 641 CE LYS A 42 1.129 4.659 14.383 1.00 0.00 C ATOM 642 NZ LYS A 42 1.824 4.240 15.632 1.00 0.00 N ATOM 0 H LYS A 42 -0.719 5.831 10.547 1.00 0.00 H new ATOM 0 HA LYS A 42 1.690 5.258 9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.327 4.130 11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.585 5.673 11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.435 4.652 12.305 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.035 3.115 11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.477 2.697 13.800 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.046 3.148 13.163 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.658 5.502 13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.124 5.005 14.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.861 5.041 16.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.306 3.452 16.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.792 3.934 15.405 1.00 0.00 H new ATOM 656 N MET A 43 -0.640 2.987 9.243 1.00 0.00 N ATOM 657 CA MET A 43 -1.046 1.682 8.735 1.00 0.00 C ATOM 658 C MET A 43 -1.233 1.722 7.221 1.00 0.00 C ATOM 659 O MET A 43 -0.793 0.820 6.507 1.00 0.00 O ATOM 660 CB MET A 43 -2.343 1.230 9.409 1.00 0.00 C ATOM 661 CG MET A 43 -3.462 2.255 9.323 1.00 0.00 C ATOM 662 SD MET A 43 -5.029 1.627 9.956 1.00 0.00 S ATOM 663 CE MET A 43 -4.623 1.383 11.684 1.00 0.00 C ATOM 0 H MET A 43 -1.394 3.529 9.665 1.00 0.00 H new ATOM 0 HA MET A 43 -0.256 0.968 8.967 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.677 0.300 8.949 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.141 1.012 10.458 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.178 3.145 9.885 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.590 2.561 8.285 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.540 1.256 12.259 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.002 0.493 11.790 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.079 2.251 12.056 1.00 0.00 H new ATOM 673 N THR A 44 -1.890 2.772 6.738 1.00 0.00 N ATOM 674 CA THR A 44 -2.136 2.927 5.310 1.00 0.00 C ATOM 675 C THR A 44 -0.859 3.312 4.570 1.00 0.00 C ATOM 676 O THR A 44 -0.620 2.862 3.450 1.00 0.00 O ATOM 677 CB THR A 44 -3.214 3.994 5.039 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.440 3.625 5.679 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.446 4.161 3.544 1.00 0.00 C ATOM 0 H THR A 44 -2.261 3.527 7.315 1.00 0.00 H new ATOM 0 HA THR A 44 -2.488 1.963 4.943 1.00 0.00 H new ATOM 0 HB THR A 44 -2.865 4.943 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.119 4.309 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.211 4.919 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.518 4.470 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.776 3.213 3.119 1.00 0.00 H new ATOM 687 N ASN A 45 -0.042 4.145 5.205 1.00 0.00 N ATOM 688 CA ASN A 45 1.212 4.590 4.606 1.00 0.00 C ATOM 689 C ASN A 45 1.920 3.435 3.906 1.00 0.00 C ATOM 690 O ASN A 45 2.379 3.570 2.772 1.00 0.00 O ATOM 691 CB ASN A 45 2.127 5.191 5.675 1.00 0.00 C ATOM 692 CG ASN A 45 3.503 5.527 5.136 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.635 6.219 4.126 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.538 5.036 5.808 1.00 0.00 N ATOM 0 H ASN A 45 -0.225 4.526 6.133 1.00 0.00 H new ATOM 0 HA ASN A 45 0.980 5.354 3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.667 6.094 6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.226 4.488 6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.489 5.228 5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.382 4.467 6.640 1.00 0.00 H new ATOM 701 N MET A 46 2.005 2.298 4.590 1.00 0.00 N ATOM 702 CA MET A 46 2.656 1.118 4.032 1.00 0.00 C ATOM 703 C MET A 46 1.777 0.462 2.973 1.00 0.00 C ATOM 704 O MET A 46 2.271 -0.025 1.956 1.00 0.00 O ATOM 705 CB MET A 46 2.975 0.114 5.142 1.00 0.00 C ATOM 706 CG MET A 46 1.828 -0.836 5.450 1.00 0.00 C ATOM 707 SD MET A 46 2.176 -1.913 6.853 1.00 0.00 S ATOM 708 CE MET A 46 1.781 -0.826 8.220 1.00 0.00 C ATOM 0 H MET A 46 1.632 2.169 5.530 1.00 0.00 H new ATOM 0 HA MET A 46 3.586 1.435 3.560 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.851 -0.468 4.854 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.238 0.659 6.049 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.927 -0.257 5.656 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.621 -1.446 4.571 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.533 -0.935 9.001 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.767 0.207 7.871 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.801 -1.087 8.621 1.00 0.00 H new ATOM 718 N LYS A 47 0.471 0.451 3.218 1.00 0.00 N ATOM 719 CA LYS A 47 -0.479 -0.145 2.285 1.00 0.00 C ATOM 720 C LYS A 47 -0.247 0.373 0.869 1.00 0.00 C ATOM 721 O LYS A 47 -0.621 -0.276 -0.109 1.00 0.00 O ATOM 722 CB LYS A 47 -1.913 0.159 2.722 1.00 0.00 C ATOM 723 CG LYS A 47 -2.349 -0.612 3.956 1.00 0.00 C ATOM 724 CD LYS A 47 -3.849 -0.509 4.178 1.00 0.00 C ATOM 725 CE LYS A 47 -4.346 -1.580 5.136 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.706 -1.271 5.657 1.00 0.00 N ATOM 0 H LYS A 47 0.046 0.848 4.056 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.326 -1.224 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.005 1.227 2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.591 -0.073 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.067 -1.660 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.824 -0.228 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.092 0.477 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.366 -0.605 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.363 -2.543 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.650 -1.672 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.009 -2.025 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.685 -0.364 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.376 -1.208 4.864 1.00 0.00 H new ATOM 740 N LEU A 48 0.373 1.543 0.765 1.00 0.00 N ATOM 741 CA LEU A 48 0.656 2.147 -0.532 1.00 0.00 C ATOM 742 C LEU A 48 2.076 1.824 -0.985 1.00 0.00 C ATOM 743 O LEU A 48 2.292 1.381 -2.112 1.00 0.00 O ATOM 744 CB LEU A 48 0.462 3.663 -0.464 1.00 0.00 C ATOM 745 CG LEU A 48 -0.957 4.146 -0.160 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.969 5.646 0.086 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.899 3.783 -1.299 1.00 0.00 C ATOM 0 H LEU A 48 0.690 2.093 1.564 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.041 1.730 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.131 4.061 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.774 4.092 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.304 3.648 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.987 5.971 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.326 5.881 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.602 6.163 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.904 4.134 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.555 4.254 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.914 2.701 -1.428 1.00 0.00 H new ATOM 759 N GLU A 49 3.040 2.047 -0.097 1.00 0.00 N ATOM 760 CA GLU A 49 4.439 1.778 -0.406 1.00 0.00 C ATOM 761 C GLU A 49 4.628 0.335 -0.864 1.00 0.00 C ATOM 762 O GLU A 49 5.441 0.051 -1.743 1.00 0.00 O ATOM 763 CB GLU A 49 5.317 2.056 0.816 1.00 0.00 C ATOM 764 CG GLU A 49 5.427 0.876 1.767 1.00 0.00 C ATOM 765 CD GLU A 49 6.459 -0.140 1.320 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.348 0.229 0.523 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.380 -1.304 1.765 1.00 0.00 O ATOM 0 H GLU A 49 2.878 2.413 0.841 1.00 0.00 H new ATOM 0 HA GLU A 49 4.739 2.441 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.316 2.335 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.912 2.911 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.687 1.239 2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.455 0.389 1.849 1.00 0.00 H new ATOM 774 N VAL A 50 3.870 -0.575 -0.259 1.00 0.00 N ATOM 775 CA VAL A 50 3.952 -1.990 -0.604 1.00 0.00 C ATOM 776 C VAL A 50 3.602 -2.219 -2.070 1.00 0.00 C ATOM 777 O VAL A 50 4.270 -2.983 -2.766 1.00 0.00 O ATOM 778 CB VAL A 50 3.013 -2.837 0.275 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.417 -2.738 1.738 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.568 -2.403 0.082 1.00 0.00 C ATOM 0 H VAL A 50 3.193 -0.358 0.472 1.00 0.00 H new ATOM 0 HA VAL A 50 4.982 -2.300 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 50 3.099 -3.880 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.742 -3.343 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.437 -3.101 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.361 -1.699 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.918 -3.012 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.463 -1.354 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.286 -2.531 -0.963 1.00 0.00 H new ATOM 790 N ALA A 51 2.550 -1.552 -2.533 1.00 0.00 N ATOM 791 CA ALA A 51 2.112 -1.681 -3.917 1.00 0.00 C ATOM 792 C ALA A 51 3.129 -1.069 -4.874 1.00 0.00 C ATOM 793 O ALA A 51 3.305 -1.544 -5.996 1.00 0.00 O ATOM 794 CB ALA A 51 0.750 -1.029 -4.103 1.00 0.00 C ATOM 0 H ALA A 51 1.985 -0.917 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 51 2.028 -2.743 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.436 -1.133 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.022 -1.515 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.815 0.029 -3.848 1.00 0.00 H new ATOM 800 N TRP A 52 3.796 -0.012 -4.424 1.00 0.00 N ATOM 801 CA TRP A 52 4.796 0.666 -5.241 1.00 0.00 C ATOM 802 C TRP A 52 6.070 -0.165 -5.343 1.00 0.00 C ATOM 803 O TRP A 52 6.782 -0.109 -6.346 1.00 0.00 O ATOM 804 CB TRP A 52 5.116 2.042 -4.656 1.00 0.00 C ATOM 805 CG TRP A 52 5.919 2.908 -5.578 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.483 4.014 -6.251 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.296 2.738 -5.931 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.507 4.542 -7.000 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.629 3.778 -6.821 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.281 1.811 -5.580 1.00 0.00 C ATOM 811 CZ2 TRP A 52 8.905 3.913 -7.363 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.545 1.946 -6.120 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.849 2.991 -7.003 1.00 0.00 C ATOM 0 H TRP A 52 3.662 0.394 -3.498 1.00 0.00 H new ATOM 0 HA TRP A 52 4.385 0.792 -6.243 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.183 2.551 -4.412 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.663 1.913 -3.722 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.481 4.414 -6.202 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.442 5.369 -7.593 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.058 1.003 -4.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.141 4.718 -8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.313 1.234 -5.857 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.848 3.070 -7.407 1.00 0.00 H new ATOM 824 N LYS A 53 6.353 -0.938 -4.300 1.00 0.00 N ATOM 825 CA LYS A 53 7.541 -1.783 -4.272 1.00 0.00 C ATOM 826 C LYS A 53 7.274 -3.120 -4.956 1.00 0.00 C ATOM 827 O LYS A 53 8.174 -3.717 -5.545 1.00 0.00 O ATOM 828 CB LYS A 53 7.992 -2.017 -2.829 1.00 0.00 C ATOM 829 CG LYS A 53 8.610 -0.792 -2.178 1.00 0.00 C ATOM 830 CD LYS A 53 10.108 -0.728 -2.420 1.00 0.00 C ATOM 831 CE LYS A 53 10.446 0.194 -3.582 1.00 0.00 C ATOM 832 NZ LYS A 53 11.811 -0.065 -4.117 1.00 0.00 N ATOM 0 H LYS A 53 5.775 -0.997 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 53 8.334 -1.269 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.135 -2.339 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.716 -2.832 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.138 0.108 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.414 -0.811 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.609 -0.377 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.487 -1.729 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.713 0.060 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.375 1.231 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.003 0.583 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.513 0.088 -3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.872 -1.047 -4.453 1.00 0.00 H new ATOM 846 N ALA A 54 6.031 -3.583 -4.875 1.00 0.00 N ATOM 847 CA ALA A 54 5.645 -4.847 -5.489 1.00 0.00 C ATOM 848 C ALA A 54 5.428 -4.685 -6.990 1.00 0.00 C ATOM 849 O ALA A 54 4.913 -5.584 -7.654 1.00 0.00 O ATOM 850 CB ALA A 54 4.388 -5.393 -4.828 1.00 0.00 C ATOM 0 H ALA A 54 5.274 -3.101 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 54 6.458 -5.558 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.111 -6.337 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.576 -5.556 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.574 -4.677 -4.946 1.00 0.00 H new ATOM 856 N LYS A 55 5.823 -3.532 -7.519 1.00 0.00 N ATOM 857 CA LYS A 55 5.672 -3.250 -8.942 1.00 0.00 C ATOM 858 C LYS A 55 4.211 -3.360 -9.366 1.00 0.00 C ATOM 859 O LYS A 55 3.906 -3.824 -10.465 1.00 0.00 O ATOM 860 CB LYS A 55 6.528 -4.215 -9.766 1.00 0.00 C ATOM 861 CG LYS A 55 8.020 -3.956 -9.649 1.00 0.00 C ATOM 862 CD LYS A 55 8.756 -4.354 -10.918 1.00 0.00 C ATOM 863 CE LYS A 55 9.076 -5.840 -10.934 1.00 0.00 C ATOM 864 NZ LYS A 55 9.344 -6.335 -12.313 1.00 0.00 N ATOM 0 H LYS A 55 6.251 -2.777 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 55 6.008 -2.229 -9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.319 -5.236 -9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.236 -4.142 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.192 -2.899 -9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.422 -4.514 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.148 -4.102 -11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.680 -3.781 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.945 -6.031 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.242 -6.396 -10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.558 -7.352 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.506 -6.176 -12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.155 -5.823 -12.714 1.00 0.00 H new ATOM 878 N LYS A 56 3.311 -2.929 -8.489 1.00 0.00 N ATOM 879 CA LYS A 56 1.882 -2.975 -8.773 1.00 0.00 C ATOM 880 C LYS A 56 1.459 -1.788 -9.632 1.00 0.00 C ATOM 881 O LYS A 56 2.216 -0.833 -9.806 1.00 0.00 O ATOM 882 CB LYS A 56 1.081 -2.986 -7.469 1.00 0.00 C ATOM 883 CG LYS A 56 1.287 -4.241 -6.639 1.00 0.00 C ATOM 884 CD LYS A 56 0.281 -5.320 -7.001 1.00 0.00 C ATOM 885 CE LYS A 56 0.331 -6.481 -6.019 1.00 0.00 C ATOM 886 NZ LYS A 56 1.607 -7.242 -6.125 1.00 0.00 N ATOM 0 H LYS A 56 3.546 -2.543 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 56 1.677 -3.892 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.360 -2.117 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.021 -2.885 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.298 -4.618 -6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.196 -3.997 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.722 -4.894 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.484 -5.685 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.217 -6.103 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.508 -7.151 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.400 -8.237 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.192 -6.835 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.121 -7.186 -5.223 1.00 0.00 H new ATOM 900 N LYS A 57 0.244 -1.853 -10.166 1.00 0.00 N ATOM 901 CA LYS A 57 -0.282 -0.782 -11.005 1.00 0.00 C ATOM 902 C LYS A 57 -1.128 0.186 -10.184 1.00 0.00 C ATOM 903 O LYS A 57 -1.138 1.390 -10.444 1.00 0.00 O ATOM 904 CB LYS A 57 -1.118 -1.364 -12.147 1.00 0.00 C ATOM 905 CG LYS A 57 -1.586 -0.324 -13.150 1.00 0.00 C ATOM 906 CD LYS A 57 -0.456 0.112 -14.068 1.00 0.00 C ATOM 907 CE LYS A 57 -0.199 -0.913 -15.162 1.00 0.00 C ATOM 908 NZ LYS A 57 -1.156 -0.767 -16.294 1.00 0.00 N ATOM 0 H LYS A 57 -0.395 -2.636 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 57 0.562 -0.235 -11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.530 -2.120 -12.668 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.988 -1.870 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.403 -0.733 -13.745 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.981 0.543 -12.620 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.703 1.073 -14.519 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.453 0.258 -13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.820 -0.802 -15.532 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.280 -1.917 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.948 -1.483 -17.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.127 -0.898 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.062 0.182 -16.708 1.00 0.00 H new ATOM 922 N ASP A 58 -1.834 -0.346 -9.193 1.00 0.00 N ATOM 923 CA ASP A 58 -2.681 0.472 -8.332 1.00 0.00 C ATOM 924 C ASP A 58 -3.071 -0.291 -7.070 1.00 0.00 C ATOM 925 O ASP A 58 -3.182 -1.518 -7.082 1.00 0.00 O ATOM 926 CB ASP A 58 -3.936 0.913 -9.086 1.00 0.00 C ATOM 927 CG ASP A 58 -4.710 -0.259 -9.656 1.00 0.00 C ATOM 928 OD1 ASP A 58 -5.318 -1.010 -8.864 1.00 0.00 O ATOM 929 OD2 ASP A 58 -4.708 -0.427 -10.894 1.00 0.00 O ATOM 0 H ASP A 58 -1.837 -1.340 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.114 1.356 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.581 1.478 -8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.653 1.586 -9.895 1.00 0.00 H new ATOM 934 N THR A 59 -3.278 0.442 -5.981 1.00 0.00 N ATOM 935 CA THR A 59 -3.654 -0.165 -4.711 1.00 0.00 C ATOM 936 C THR A 59 -4.909 0.486 -4.140 1.00 0.00 C ATOM 937 O THR A 59 -5.082 1.702 -4.223 1.00 0.00 O ATOM 938 CB THR A 59 -2.517 -0.056 -3.677 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.954 -0.567 -2.413 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.067 1.388 -3.519 1.00 0.00 C ATOM 0 H THR A 59 -3.191 1.458 -5.953 1.00 0.00 H new ATOM 0 HA THR A 59 -3.853 -1.218 -4.911 1.00 0.00 H new ATOM 0 HB THR A 59 -1.673 -0.646 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.187 -0.645 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.264 1.440 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.708 1.764 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.907 1.996 -3.183 1.00 0.00 H new ATOM 948 N VAL A 60 -5.782 -0.331 -3.559 1.00 0.00 N ATOM 949 CA VAL A 60 -7.021 0.167 -2.972 1.00 0.00 C ATOM 950 C VAL A 60 -6.851 0.441 -1.482 1.00 0.00 C ATOM 951 O VAL A 60 -6.293 -0.376 -0.748 1.00 0.00 O ATOM 952 CB VAL A 60 -8.177 -0.831 -3.171 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.292 -0.563 -2.172 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.700 -0.762 -4.598 1.00 0.00 C ATOM 0 H VAL A 60 -5.654 -1.340 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.263 1.098 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.799 -1.838 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.100 -1.278 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.905 -0.668 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.671 0.449 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.516 -1.474 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.062 0.245 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.897 -1.008 -5.292 1.00 0.00 H new ATOM 964 N VAL A 61 -7.337 1.596 -1.039 1.00 0.00 N ATOM 965 CA VAL A 61 -7.242 1.978 0.365 1.00 0.00 C ATOM 966 C VAL A 61 -8.517 2.668 0.835 1.00 0.00 C ATOM 967 O VAL A 61 -9.219 3.301 0.046 1.00 0.00 O ATOM 968 CB VAL A 61 -6.044 2.915 0.611 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.737 2.205 0.296 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.183 4.185 -0.214 1.00 0.00 C ATOM 0 H VAL A 61 -7.801 2.284 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.099 1.059 0.934 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.033 3.193 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.902 2.883 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.636 1.328 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.734 1.895 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.328 4.835 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.220 3.929 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.100 4.703 0.067 1.00 0.00 H new ATOM 980 N GLN A 62 -8.811 2.541 2.125 1.00 0.00 N ATOM 981 CA GLN A 62 -10.003 3.153 2.700 1.00 0.00 C ATOM 982 C GLN A 62 -9.766 4.628 3.004 1.00 0.00 C ATOM 983 O GLN A 62 -9.050 4.971 3.945 1.00 0.00 O ATOM 984 CB GLN A 62 -10.415 2.417 3.976 1.00 0.00 C ATOM 985 CG GLN A 62 -10.967 1.023 3.724 1.00 0.00 C ATOM 986 CD GLN A 62 -9.877 -0.025 3.618 1.00 0.00 C ATOM 987 OE1 GLN A 62 -8.746 0.191 4.054 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.213 -1.171 3.038 1.00 0.00 N ATOM 0 H GLN A 62 -8.241 2.020 2.791 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.808 3.077 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.552 2.343 4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.167 3.007 4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.647 0.754 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.551 1.028 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.162 -1.308 2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.522 -1.915 2.940 1.00 0.00 H new ATOM 997 N ILE A 63 -10.370 5.498 2.201 1.00 0.00 N ATOM 998 CA ILE A 63 -10.224 6.936 2.385 1.00 0.00 C ATOM 999 C ILE A 63 -11.573 7.596 2.651 1.00 0.00 C ATOM 1000 O ILE A 63 -12.511 7.456 1.865 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.575 7.598 1.155 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.122 7.142 1.011 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.652 9.113 1.267 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.452 7.647 -0.248 1.00 0.00 C ATOM 0 H ILE A 63 -10.965 5.231 1.417 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.575 7.079 3.249 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.122 7.291 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.555 7.484 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.089 6.053 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.189 9.567 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.696 9.421 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.126 9.439 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.425 7.285 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.995 7.283 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.453 8.737 -0.248 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.664 8.318 3.763 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.898 9.002 4.132 1.00 0.00 C ATOM 1018 C HIS A 64 -14.027 8.001 4.359 1.00 0.00 C ATOM 1019 O HIS A 64 -15.195 8.304 4.121 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.297 10.000 3.045 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.414 11.209 2.988 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.849 12.439 2.542 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -11.113 11.371 3.327 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.854 13.305 2.607 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.789 12.683 3.080 1.00 0.00 N ATOM 0 H HIS A 64 -10.898 8.445 4.424 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.721 9.541 5.063 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.275 9.499 2.077 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.325 10.319 3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.453 10.611 3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.903 14.346 2.322 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.875 13.108 3.236 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.669 6.808 4.822 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.653 5.762 5.080 1.00 0.00 C ATOM 1036 C ASN A 65 -15.215 5.210 3.773 1.00 0.00 C ATOM 1037 O ASN A 65 -16.348 4.730 3.728 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.789 6.305 5.948 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.280 7.095 7.138 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -15.641 8.257 7.325 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -14.437 6.467 7.949 1.00 0.00 N ATOM 0 H ASN A 65 -12.706 6.541 5.026 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.155 4.951 5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.434 6.941 5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.401 5.475 6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.061 6.948 8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.165 5.503 7.755 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.416 5.281 2.714 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.835 4.789 1.407 1.00 0.00 C ATOM 1050 C GLN A 66 -13.648 4.226 0.632 1.00 0.00 C ATOM 1051 O GLN A 66 -12.585 4.844 0.570 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.498 5.910 0.605 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.947 7.291 0.919 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.932 8.399 0.602 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.141 8.171 0.541 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.420 9.607 0.398 1.00 0.00 N ATOM 0 H GLN A 66 -13.475 5.674 2.735 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.557 3.988 1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.369 5.710 -0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.570 5.902 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.679 7.340 1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.031 7.451 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.412 9.751 0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.035 10.391 0.181 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.837 3.051 0.042 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.782 2.404 -0.730 1.00 0.00 C ATOM 1067 C ASP A 67 -12.382 3.261 -1.927 1.00 0.00 C ATOM 1068 O ASP A 67 -13.235 3.720 -2.688 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.241 1.025 -1.205 1.00 0.00 C ATOM 1070 CG ASP A 67 -13.510 0.076 -0.054 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.008 0.540 0.994 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -13.225 -1.131 -0.200 1.00 0.00 O ATOM 0 H ASP A 67 -14.711 2.527 0.083 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.912 2.286 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.146 1.133 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.479 0.596 -1.855 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.080 3.474 -2.088 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.567 4.277 -3.191 1.00 0.00 C ATOM 1079 C PHE A 68 -9.461 3.536 -3.936 1.00 0.00 C ATOM 1080 O PHE A 68 -8.765 2.697 -3.363 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.040 5.616 -2.673 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.067 6.712 -2.688 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.304 6.528 -2.091 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.796 7.926 -3.299 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.251 7.535 -2.104 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.739 8.936 -3.315 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.968 8.740 -2.716 1.00 0.00 C ATOM 0 H PHE A 68 -10.361 3.101 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.387 4.461 -3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.676 5.484 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.187 5.920 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.531 5.588 -1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.836 8.085 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.212 7.379 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.515 9.877 -3.795 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.706 9.528 -2.726 1.00 0.00 H new ATOM 1097 N THR A 69 -9.304 3.850 -5.218 1.00 0.00 N ATOM 1098 CA THR A 69 -8.285 3.214 -6.042 1.00 0.00 C ATOM 1099 C THR A 69 -7.116 4.159 -6.298 1.00 0.00 C ATOM 1100 O THR A 69 -7.245 5.137 -7.034 1.00 0.00 O ATOM 1101 CB THR A 69 -8.862 2.753 -7.394 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.028 1.949 -7.179 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.831 1.959 -8.180 1.00 0.00 C ATOM 0 H THR A 69 -9.871 4.542 -5.708 1.00 0.00 H new ATOM 0 HA THR A 69 -7.931 2.343 -5.490 1.00 0.00 H new ATOM 0 HB THR A 69 -9.131 3.638 -7.970 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.391 1.661 -8.043 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.262 1.644 -9.131 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.956 2.582 -8.366 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.535 1.080 -7.607 1.00 0.00 H new ATOM 1111 N VAL A 70 -5.974 3.859 -5.687 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.781 4.681 -5.850 1.00 0.00 C ATOM 1113 C VAL A 70 -3.877 4.125 -6.944 1.00 0.00 C ATOM 1114 O VAL A 70 -3.281 3.059 -6.790 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.981 4.776 -4.537 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.618 5.403 -4.787 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.759 5.568 -3.496 1.00 0.00 C ATOM 0 H VAL A 70 -5.850 3.053 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.119 5.678 -6.133 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.825 3.768 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.067 5.462 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.061 4.792 -5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.748 6.405 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.179 5.625 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.947 6.574 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.709 5.072 -3.297 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.778 4.856 -8.049 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.944 4.437 -9.170 1.00 0.00 C ATOM 1129 C ASP A 71 -1.516 4.947 -9.005 1.00 0.00 C ATOM 1130 O ASP A 71 -1.273 6.154 -8.998 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.531 4.946 -10.488 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.088 4.117 -11.677 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.153 2.872 -11.591 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.676 4.712 -12.695 1.00 0.00 O ATOM 0 H ASP A 71 -4.264 5.741 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.922 3.347 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.619 4.935 -10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.231 5.983 -10.640 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.574 4.019 -8.872 1.00 0.00 N ATOM 1140 CA LEU A 72 0.831 4.374 -8.706 1.00 0.00 C ATOM 1141 C LEU A 72 1.405 4.947 -9.998 1.00 0.00 C ATOM 1142 O LEU A 72 2.155 5.923 -9.977 1.00 0.00 O ATOM 1143 CB LEU A 72 1.640 3.149 -8.275 1.00 0.00 C ATOM 1144 CG LEU A 72 1.078 2.356 -7.095 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.520 0.903 -7.170 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.514 2.980 -5.777 1.00 0.00 C ATOM 0 H LEU A 72 -0.758 3.016 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 72 0.897 5.137 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.728 2.478 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.648 3.475 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.010 2.387 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.111 0.354 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.158 0.460 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.608 0.852 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.105 2.403 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.602 2.980 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.148 4.005 -5.721 1.00 0.00 H new ATOM 1158 N SER A 73 1.045 4.335 -11.122 1.00 0.00 N ATOM 1159 CA SER A 73 1.525 4.783 -12.424 1.00 0.00 C ATOM 1160 C SER A 73 1.468 6.304 -12.530 1.00 0.00 C ATOM 1161 O SER A 73 2.456 6.952 -12.878 1.00 0.00 O ATOM 1162 CB SER A 73 0.694 4.151 -13.542 1.00 0.00 C ATOM 1163 OG SER A 73 1.256 2.920 -13.961 1.00 0.00 O ATOM 0 H SER A 73 0.423 3.528 -11.157 1.00 0.00 H new ATOM 0 HA SER A 73 2.563 4.468 -12.530 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.326 3.989 -13.194 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.637 4.835 -14.389 1.00 0.00 H new ATOM 0 HG SER A 73 0.804 2.614 -14.775 1.00 0.00 H new ATOM 1169 N THR A 74 0.303 6.869 -12.227 1.00 0.00 N ATOM 1170 CA THR A 74 0.115 8.313 -12.288 1.00 0.00 C ATOM 1171 C THR A 74 0.143 8.931 -10.895 1.00 0.00 C ATOM 1172 O THR A 74 0.301 10.142 -10.747 1.00 0.00 O ATOM 1173 CB THR A 74 -1.217 8.677 -12.972 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.352 10.100 -13.055 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.395 8.094 -12.207 1.00 0.00 C ATOM 0 H THR A 74 -0.524 6.348 -11.937 1.00 0.00 H new ATOM 0 HA THR A 74 0.940 8.715 -12.877 1.00 0.00 H new ATOM 0 HB THR A 74 -1.212 8.254 -13.977 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.729 10.525 -12.429 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.324 8.364 -12.709 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.304 7.008 -12.171 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.402 8.491 -11.192 1.00 0.00 H new ATOM 1183 N ASN A 75 -0.009 8.091 -9.877 1.00 0.00 N ATOM 1184 CA ASN A 75 -0.001 8.556 -8.495 1.00 0.00 C ATOM 1185 C ASN A 75 -1.226 9.416 -8.202 1.00 0.00 C ATOM 1186 O ASN A 75 -1.107 10.549 -7.735 1.00 0.00 O ATOM 1187 CB ASN A 75 1.275 9.352 -8.210 1.00 0.00 C ATOM 1188 CG ASN A 75 2.462 8.846 -9.006 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.599 9.142 -10.194 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.327 8.078 -8.354 1.00 0.00 N ATOM 0 H ASN A 75 -0.139 7.085 -9.983 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.029 7.682 -7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.105 10.403 -8.445 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.504 9.297 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.145 7.707 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.173 7.859 -7.370 1.00 0.00 H new ATOM 1197 N THR A 76 -2.406 8.869 -8.480 1.00 0.00 N ATOM 1198 CA THR A 76 -3.654 9.586 -8.248 1.00 0.00 C ATOM 1199 C THR A 76 -4.748 8.641 -7.764 1.00 0.00 C ATOM 1200 O THR A 76 -4.925 7.551 -8.308 1.00 0.00 O ATOM 1201 CB THR A 76 -4.136 10.302 -9.523 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.175 11.282 -9.928 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.483 10.970 -9.292 1.00 0.00 C ATOM 0 H THR A 76 -2.523 7.932 -8.866 1.00 0.00 H new ATOM 0 HA THR A 76 -3.453 10.330 -7.477 1.00 0.00 H new ATOM 0 HB THR A 76 -4.248 9.557 -10.311 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.489 11.731 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.803 11.469 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.220 10.217 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.393 11.703 -8.491 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.481 9.066 -6.740 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.560 8.259 -6.185 1.00 0.00 C ATOM 1213 C ALA A 77 -7.896 8.609 -6.832 1.00 0.00 C ATOM 1214 O ALA A 77 -8.132 9.756 -7.213 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.637 8.444 -4.677 1.00 0.00 C ATOM 0 H ALA A 77 -5.347 9.965 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.345 7.212 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.448 7.835 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.694 8.137 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.824 9.493 -4.448 1.00 0.00 H new ATOM 1221 N THR A 78 -8.768 7.613 -6.954 1.00 0.00 N ATOM 1222 CA THR A 78 -10.080 7.816 -7.556 1.00 0.00 C ATOM 1223 C THR A 78 -11.115 6.877 -6.947 1.00 0.00 C ATOM 1224 O THR A 78 -10.797 5.753 -6.561 1.00 0.00 O ATOM 1225 CB THR A 78 -10.038 7.596 -9.080 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.920 8.289 -9.645 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.324 8.081 -9.732 1.00 0.00 C ATOM 0 H THR A 78 -8.589 6.658 -6.644 1.00 0.00 H new ATOM 0 HA THR A 78 -10.365 8.848 -7.353 1.00 0.00 H new ATOM 0 HB THR A 78 -9.934 6.527 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.900 8.143 -10.614 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.271 7.915 -10.808 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.170 7.530 -9.321 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.453 9.145 -9.535 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.356 7.347 -6.864 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.439 6.548 -6.304 1.00 0.00 C ATOM 1237 C ALA A 79 -14.716 6.703 -7.123 1.00 0.00 C ATOM 1238 O ALA A 79 -14.941 7.720 -7.780 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.689 6.940 -4.855 1.00 0.00 C ATOM 0 H ALA A 79 -12.636 8.276 -7.177 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.140 5.500 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.500 6.336 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.784 6.772 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.962 7.994 -4.805 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.572 5.671 -7.087 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.840 5.669 -7.821 1.00 0.00 C ATOM 1247 C PRO A 80 -17.849 6.653 -7.239 1.00 0.00 C ATOM 1248 O PRO A 80 -18.984 6.741 -7.707 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.341 4.231 -7.659 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.707 3.748 -6.401 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.367 4.427 -6.325 1.00 0.00 C ATOM 0 HA PRO A 80 -16.710 5.976 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.428 4.196 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.053 3.613 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.320 3.997 -5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.595 2.664 -6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.077 4.630 -5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.580 3.813 -6.762 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.427 7.391 -6.217 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.295 8.368 -5.572 1.00 0.00 C ATOM 1261 C GLN A 81 -18.216 9.717 -6.280 1.00 0.00 C ATOM 1262 O GLN A 81 -19.211 10.433 -6.386 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.912 8.529 -4.100 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.904 7.220 -3.327 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.279 6.591 -3.230 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.291 7.238 -3.503 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.325 5.322 -2.842 1.00 0.00 N ATOM 0 H GLN A 81 -16.490 7.331 -5.819 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.320 8.004 -5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.923 8.984 -4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.610 9.218 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.222 6.521 -3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.518 7.398 -2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.462 4.823 -2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.223 4.846 -2.760 1.00 0.00 H new ATOM 1276 N GLY A 82 -17.025 10.058 -6.763 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.839 11.320 -7.454 1.00 0.00 C ATOM 1278 C GLY A 82 -15.752 12.170 -6.826 1.00 0.00 C ATOM 1279 O GLY A 82 -15.859 13.396 -6.787 1.00 0.00 O ATOM 0 H GLY A 82 -16.186 9.483 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.587 11.126 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.777 11.875 -7.450 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.704 11.518 -6.333 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.595 12.223 -5.702 1.00 0.00 C ATOM 1285 C GLN A 83 -12.256 11.655 -6.163 1.00 0.00 C ATOM 1286 O GLN A 83 -12.111 10.446 -6.342 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.704 12.130 -4.179 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.752 13.058 -3.587 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.116 12.405 -3.479 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.642 11.874 -4.457 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.696 12.441 -2.285 1.00 0.00 N ATOM 0 H GLN A 83 -14.600 10.504 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.647 13.270 -6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.942 11.103 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.734 12.362 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.429 13.381 -2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.830 13.953 -4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.223 12.892 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.614 12.018 -2.151 1.00 0.00 H new ATOM 1300 N THR A 84 -11.280 12.537 -6.355 1.00 0.00 N ATOM 1301 CA THR A 84 -9.954 12.124 -6.797 1.00 0.00 C ATOM 1302 C THR A 84 -8.865 12.932 -6.100 1.00 0.00 C ATOM 1303 O THR A 84 -9.037 14.121 -5.830 1.00 0.00 O ATOM 1304 CB THR A 84 -9.796 12.280 -8.322 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.713 13.667 -8.666 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.964 11.639 -9.055 1.00 0.00 C ATOM 0 H THR A 84 -11.383 13.542 -6.211 1.00 0.00 H new ATOM 0 HA THR A 84 -9.847 11.072 -6.533 1.00 0.00 H new ATOM 0 HB THR A 84 -8.878 11.776 -8.624 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.611 13.758 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.831 11.762 -10.130 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.006 10.577 -8.814 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.894 12.118 -8.748 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.744 12.280 -5.811 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.627 12.939 -5.144 1.00 0.00 C ATOM 1316 C PHE A 85 -5.301 12.550 -5.792 1.00 0.00 C ATOM 1317 O PHE A 85 -5.258 11.708 -6.690 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.607 12.577 -3.658 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.966 12.264 -3.099 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.887 13.274 -2.876 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.321 10.959 -2.797 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.139 12.989 -2.362 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.570 10.668 -2.283 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.480 11.684 -2.065 1.00 0.00 C ATOM 0 H PHE A 85 -7.585 11.296 -6.028 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.759 14.016 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.955 11.716 -3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.174 13.405 -3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.625 14.296 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.614 10.161 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.849 13.785 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.835 9.647 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.457 11.458 -1.663 1.00 0.00 H new ATOM 1334 N THR A 86 -4.219 13.169 -5.329 1.00 0.00 N ATOM 1335 CA THR A 86 -2.892 12.889 -5.863 1.00 0.00 C ATOM 1336 C THR A 86 -1.964 12.355 -4.778 1.00 0.00 C ATOM 1337 O THR A 86 -1.775 12.990 -3.740 1.00 0.00 O ATOM 1338 CB THR A 86 -2.261 14.148 -6.488 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.172 14.741 -7.421 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.957 13.808 -7.191 1.00 0.00 C ATOM 0 H THR A 86 -4.236 13.867 -4.586 1.00 0.00 H new ATOM 0 HA THR A 86 -3.016 12.131 -6.637 1.00 0.00 H new ATOM 0 HB THR A 86 -2.049 14.857 -5.687 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.764 15.542 -7.813 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.531 14.713 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.256 13.385 -6.472 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.148 13.083 -7.982 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.386 11.184 -5.024 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.475 10.565 -4.068 1.00 0.00 C ATOM 1350 C VAL A 87 0.978 10.860 -4.423 1.00 0.00 C ATOM 1351 O VAL A 87 1.364 10.811 -5.590 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.677 9.039 -4.008 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.883 8.694 -3.147 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.830 8.466 -5.408 1.00 0.00 C ATOM 0 H VAL A 87 -1.532 10.645 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.702 10.993 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 87 0.206 8.591 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.010 7.612 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.728 9.070 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.776 9.152 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.972 7.387 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.695 8.918 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.067 8.681 -5.989 1.00 0.00 H new ATOM 1364 N GLN A 88 1.778 11.167 -3.407 1.00 0.00 N ATOM 1365 CA GLN A 88 3.190 11.471 -3.612 1.00 0.00 C ATOM 1366 C GLN A 88 4.066 10.639 -2.681 1.00 0.00 C ATOM 1367 O GLN A 88 3.734 10.442 -1.512 1.00 0.00 O ATOM 1368 CB GLN A 88 3.451 12.960 -3.383 1.00 0.00 C ATOM 1369 CG GLN A 88 2.944 13.468 -2.043 1.00 0.00 C ATOM 1370 CD GLN A 88 2.766 14.973 -2.018 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.215 15.678 -2.922 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.108 15.475 -0.980 1.00 0.00 N ATOM 0 H GLN A 88 1.473 11.212 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 88 3.445 11.220 -4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.523 13.147 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.976 13.530 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.992 12.990 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.644 13.176 -1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.753 14.854 -0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.958 16.481 -0.910 1.00 0.00 H new ATOM 1381 N ARG A 89 5.186 10.154 -3.208 1.00 0.00 N ATOM 1382 CA ARG A 89 6.109 9.342 -2.424 1.00 0.00 C ATOM 1383 C ARG A 89 7.280 10.182 -1.922 1.00 0.00 C ATOM 1384 O ARG A 89 7.921 10.897 -2.694 1.00 0.00 O ATOM 1385 CB ARG A 89 6.629 8.172 -3.260 1.00 0.00 C ATOM 1386 CG ARG A 89 7.214 7.042 -2.429 1.00 0.00 C ATOM 1387 CD ARG A 89 7.325 5.757 -3.235 1.00 0.00 C ATOM 1388 NE ARG A 89 7.927 4.675 -2.461 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.238 4.498 -2.343 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.080 5.327 -2.945 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.710 3.490 -1.621 1.00 0.00 N ATOM 0 H ARG A 89 5.476 10.309 -4.174 1.00 0.00 H new ATOM 0 HA ARG A 89 5.568 8.952 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.813 7.780 -3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.391 8.538 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.200 7.330 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.588 6.871 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.334 5.454 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.923 5.940 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 89 7.307 4.020 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.721 6.103 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.086 5.188 -2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.066 2.850 -1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.717 3.355 -1.531 1.00 0.00 H new ATOM 1405 N LEU A 90 7.553 10.092 -0.625 1.00 0.00 N ATOM 1406 CA LEU A 90 8.647 10.844 -0.020 1.00 0.00 C ATOM 1407 C LEU A 90 9.462 9.960 0.918 1.00 0.00 C ATOM 1408 O LEU A 90 8.914 9.312 1.810 1.00 0.00 O ATOM 1409 CB LEU A 90 8.100 12.051 0.745 1.00 0.00 C ATOM 1410 CG LEU A 90 6.994 12.842 0.048 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.645 12.170 0.254 1.00 0.00 C ATOM 1412 CD2 LEU A 90 6.961 14.276 0.558 1.00 0.00 C ATOM 0 H LEU A 90 7.032 9.506 0.028 1.00 0.00 H new ATOM 0 HA LEU A 90 9.301 11.194 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.721 11.705 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.928 12.729 0.954 1.00 0.00 H new ATOM 0 HG LEU A 90 7.207 12.862 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.870 12.748 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.673 11.162 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.424 12.118 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.167 14.824 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.773 14.276 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.919 14.756 0.357 1.00 0.00 H new