USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 93 LYS NZ :NH3+ -150:sc= 0.0347 (180deg=0) USER MOD Set 1.2: A 96 SER OG : rot 14:sc= -0.582 USER MOD Set 2.1: A 65 HIS : no HE2:sc= 0.085 X(o=0.23,f=0.042) USER MOD Set 2.2: A 87 TYR OH : rot -54:sc= 0.141 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.223 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 43 SER OG : rot -1:sc= 1.17 USER MOD Single : A 49 GLN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -4.32! C(o=-4.3!,f=-6.2!) USER MOD Single : A 64 THR OG1 : rot 2:sc= -1.97! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 88 THR OG1 : rot 132:sc= -3.98 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0.906 USER MOD Single : A 103 THR OG1 : rot 160:sc= -4.41! USER MOD Single : A 105 GLN : amide:sc= -0.553 K(o=-0.55,f=-2.9!) USER MOD Single : A 106 THR OG1 : rot 65:sc= -1.26 USER MOD Single : A 108 LYS NZ :NH3+ -147:sc= 0.413 (180deg=-0.474) USER MOD Single : A 120 THR OG1 : rot -166:sc= 0.86 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 13.909 9.146 -2.022 1.00 0.00 N ATOM 351 CA VAL A 27 12.886 8.117 -2.095 1.00 0.00 C ATOM 352 C VAL A 27 12.837 7.552 -3.516 1.00 0.00 C ATOM 353 O VAL A 27 13.287 8.199 -4.461 1.00 0.00 O ATOM 354 CB VAL A 27 11.542 8.681 -1.630 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.518 8.857 -0.110 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.225 9.999 -2.340 1.00 0.00 C ATOM 0 HA VAL A 27 13.127 7.292 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 27 10.767 7.963 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.552 9.259 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.677 7.892 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.308 9.546 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.264 10.378 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.005 10.728 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.180 9.831 -3.416 1.00 0.00 H new ATOM 366 N PRO A 28 12.273 6.320 -3.627 1.00 0.00 N ATOM 367 CA PRO A 28 12.160 5.661 -4.917 1.00 0.00 C ATOM 368 C PRO A 28 11.043 6.286 -5.755 1.00 0.00 C ATOM 369 O PRO A 28 10.127 6.904 -5.214 1.00 0.00 O ATOM 370 CB PRO A 28 11.910 4.198 -4.590 1.00 0.00 C ATOM 371 CG PRO A 28 11.431 4.168 -3.148 1.00 0.00 C ATOM 372 CD PRO A 28 11.729 5.524 -2.530 1.00 0.00 C ATOM 0 HA PRO A 28 13.057 5.771 -5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.163 3.771 -5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.820 3.610 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.363 3.955 -3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.936 3.377 -2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.827 5.979 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.443 5.438 -1.711 1.00 0.00 H new ATOM 380 N GLY A 29 11.155 6.102 -7.063 1.00 0.00 N ATOM 381 CA GLY A 29 10.166 6.640 -7.981 1.00 0.00 C ATOM 382 C GLY A 29 8.862 5.842 -7.912 1.00 0.00 C ATOM 383 O GLY A 29 8.697 4.989 -7.041 1.00 0.00 O ATOM 0 H GLY A 29 11.915 5.588 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.970 7.685 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.558 6.616 -8.998 1.00 0.00 H new ATOM 387 N PRO A 30 7.945 6.155 -8.867 1.00 0.00 N ATOM 388 CA PRO A 30 6.661 5.476 -8.922 1.00 0.00 C ATOM 389 C PRO A 30 6.813 4.061 -9.483 1.00 0.00 C ATOM 390 O PRO A 30 7.589 3.836 -10.410 1.00 0.00 O ATOM 391 CB PRO A 30 5.783 6.367 -9.786 1.00 0.00 C ATOM 392 CG PRO A 30 6.734 7.265 -10.561 1.00 0.00 C ATOM 393 CD PRO A 30 8.106 7.159 -9.914 1.00 0.00 C ATOM 0 HA PRO A 30 6.216 5.335 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.169 5.772 -10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.102 6.957 -9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.780 6.960 -11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.383 8.297 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.863 6.858 -10.638 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.424 8.116 -9.500 1.00 0.00 H new ATOM 401 N PRO A 31 6.039 3.119 -8.881 1.00 0.00 N ATOM 402 CA PRO A 31 6.079 1.731 -9.310 1.00 0.00 C ATOM 403 C PRO A 31 5.337 1.545 -10.635 1.00 0.00 C ATOM 404 O PRO A 31 4.111 1.641 -10.683 1.00 0.00 O ATOM 405 CB PRO A 31 5.458 0.947 -8.166 1.00 0.00 C ATOM 406 CG PRO A 31 4.674 1.958 -7.345 1.00 0.00 C ATOM 407 CD PRO A 31 5.107 3.348 -7.780 1.00 0.00 C ATOM 0 HA PRO A 31 7.092 1.382 -9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.805 0.159 -8.542 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.226 0.464 -7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.603 1.826 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.863 1.815 -6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.254 3.946 -8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.585 3.888 -6.962 1.00 0.00 H new ATOM 415 N MET A 32 6.110 1.283 -11.678 1.00 0.00 N ATOM 416 CA MET A 32 5.541 1.082 -13.000 1.00 0.00 C ATOM 417 C MET A 32 5.220 -0.394 -13.241 1.00 0.00 C ATOM 418 O MET A 32 5.754 -1.268 -12.560 1.00 0.00 O ATOM 419 CB MET A 32 6.530 1.569 -14.061 1.00 0.00 C ATOM 420 CG MET A 32 7.874 0.849 -13.930 1.00 0.00 C ATOM 421 SD MET A 32 8.809 1.021 -15.441 1.00 0.00 S ATOM 422 CE MET A 32 10.463 0.800 -14.808 1.00 0.00 C ATOM 0 H MET A 32 7.126 1.205 -11.635 1.00 0.00 H new ATOM 0 HA MET A 32 4.614 1.651 -13.066 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.117 1.397 -15.055 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.678 2.644 -13.959 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.438 1.264 -13.095 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.711 -0.206 -13.712 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.179 0.878 -15.626 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.675 1.570 -14.066 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.547 -0.183 -14.345 1.00 0.00 H new ATOM 432 N GLY A 33 4.349 -0.627 -14.212 1.00 0.00 N ATOM 433 CA GLY A 33 3.950 -1.982 -14.551 1.00 0.00 C ATOM 434 C GLY A 33 2.752 -2.427 -13.710 1.00 0.00 C ATOM 435 O GLY A 33 2.732 -3.543 -13.193 1.00 0.00 O ATOM 0 H GLY A 33 3.908 0.101 -14.775 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.696 -2.036 -15.610 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.786 -2.663 -14.389 1.00 0.00 H new ATOM 439 N ILE A 34 1.781 -1.532 -13.600 1.00 0.00 N ATOM 440 CA ILE A 34 0.582 -1.819 -12.831 1.00 0.00 C ATOM 441 C ILE A 34 -0.457 -2.478 -13.741 1.00 0.00 C ATOM 442 O ILE A 34 -1.123 -1.799 -14.521 1.00 0.00 O ATOM 443 CB ILE A 34 0.076 -0.554 -12.136 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.243 0.312 -11.657 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.885 -0.901 -10.997 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.100 -0.438 -10.636 1.00 0.00 C ATOM 0 H ILE A 34 1.800 -0.608 -14.031 1.00 0.00 H new ATOM 0 HA ILE A 34 0.802 -2.527 -12.032 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.485 0.034 -12.863 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.858 0.603 -12.509 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.860 1.230 -11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.230 0.016 -10.520 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.740 -1.446 -11.396 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.370 -1.521 -10.263 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.922 0.200 -10.312 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.488 -0.707 -9.775 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.501 -1.343 -11.092 1.00 0.00 H new ATOM 458 N LEU A 35 -0.562 -3.792 -13.611 1.00 0.00 N ATOM 459 CA LEU A 35 -1.508 -4.550 -14.412 1.00 0.00 C ATOM 460 C LEU A 35 -2.387 -5.398 -13.490 1.00 0.00 C ATOM 461 O LEU A 35 -1.955 -5.796 -12.409 1.00 0.00 O ATOM 462 CB LEU A 35 -0.775 -5.363 -15.481 1.00 0.00 C ATOM 463 CG LEU A 35 0.042 -4.557 -16.493 1.00 0.00 C ATOM 464 CD1 LEU A 35 -0.800 -3.442 -17.115 1.00 0.00 C ATOM 465 CD2 LEU A 35 1.325 -4.019 -15.856 1.00 0.00 C ATOM 0 H LEU A 35 -0.008 -4.351 -12.963 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.171 -3.877 -14.955 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.107 -6.065 -14.981 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.510 -5.955 -16.026 1.00 0.00 H new ATOM 0 HG LEU A 35 0.339 -5.225 -17.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.195 -2.885 -17.830 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.659 -3.877 -17.627 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.148 -2.768 -16.332 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.888 -3.450 -16.596 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.071 -3.372 -15.017 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.932 -4.852 -15.501 1.00 0.00 H new ATOM 477 N PHE A 36 -3.604 -5.649 -13.950 1.00 0.00 N ATOM 478 CA PHE A 36 -4.546 -6.442 -13.180 1.00 0.00 C ATOM 479 C PHE A 36 -4.879 -7.750 -13.900 1.00 0.00 C ATOM 480 O PHE A 36 -5.828 -7.809 -14.680 1.00 0.00 O ATOM 481 CB PHE A 36 -5.823 -5.610 -13.042 1.00 0.00 C ATOM 482 CG PHE A 36 -5.677 -4.393 -12.127 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.272 -3.201 -12.640 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.952 -4.503 -10.799 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.137 -2.071 -11.791 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.817 -3.374 -9.950 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.412 -2.181 -10.463 1.00 0.00 C ATOM 0 H PHE A 36 -3.959 -5.317 -14.847 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.116 -6.692 -12.210 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.133 -5.273 -14.031 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.620 -6.247 -12.658 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.053 -3.114 -13.694 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.273 -5.450 -10.391 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.816 -1.124 -12.199 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.036 -3.462 -8.896 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.309 -1.322 -9.817 1.00 0.00 H new ATOM 497 N PRO A 37 -4.059 -8.794 -13.605 1.00 0.00 N ATOM 498 CA PRO A 37 -4.257 -10.097 -14.215 1.00 0.00 C ATOM 499 C PRO A 37 -5.454 -10.818 -13.593 1.00 0.00 C ATOM 500 O PRO A 37 -6.236 -11.453 -14.299 1.00 0.00 O ATOM 501 CB PRO A 37 -2.944 -10.834 -14.003 1.00 0.00 C ATOM 502 CG PRO A 37 -2.228 -10.096 -12.883 1.00 0.00 C ATOM 503 CD PRO A 37 -2.925 -8.760 -12.685 1.00 0.00 C ATOM 0 HA PRO A 37 -4.496 -10.032 -15.277 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.120 -11.876 -13.734 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.346 -10.836 -14.914 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.254 -10.680 -11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.178 -9.945 -13.135 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.255 -8.635 -11.654 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.258 -7.928 -12.909 1.00 0.00 H new ATOM 511 N GLU A 38 -5.560 -10.696 -12.278 1.00 0.00 N ATOM 512 CA GLU A 38 -6.649 -11.327 -11.553 1.00 0.00 C ATOM 513 C GLU A 38 -7.419 -10.286 -10.737 1.00 0.00 C ATOM 514 O GLU A 38 -6.919 -9.789 -9.729 1.00 0.00 O ATOM 515 CB GLU A 38 -6.130 -12.452 -10.655 1.00 0.00 C ATOM 516 CG GLU A 38 -7.268 -13.073 -9.841 1.00 0.00 C ATOM 517 CD GLU A 38 -6.738 -14.150 -8.892 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.278 -15.189 -9.414 1.00 0.00 O ATOM 519 OE2 GLU A 38 -6.806 -13.911 -7.668 1.00 0.00 O ATOM 0 H GLU A 38 -4.909 -10.169 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.333 -11.770 -12.277 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.654 -13.219 -11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.367 -12.062 -9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.776 -12.297 -9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.007 -13.508 -10.514 1.00 0.00 H new ATOM 526 N VAL A 39 -8.622 -9.986 -11.205 1.00 0.00 N ATOM 527 CA VAL A 39 -9.465 -9.013 -10.531 1.00 0.00 C ATOM 528 C VAL A 39 -10.915 -9.500 -10.552 1.00 0.00 C ATOM 529 O VAL A 39 -11.521 -9.614 -11.616 1.00 0.00 O ATOM 530 CB VAL A 39 -9.288 -7.635 -11.173 1.00 0.00 C ATOM 531 CG1 VAL A 39 -8.826 -7.762 -12.626 1.00 0.00 C ATOM 532 CG2 VAL A 39 -10.577 -6.816 -11.076 1.00 0.00 C ATOM 0 H VAL A 39 -9.033 -10.399 -12.042 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.171 -8.911 -9.486 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.512 -7.105 -10.621 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.708 -6.768 -13.058 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.872 -8.288 -12.660 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.568 -8.320 -13.196 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.425 -5.841 -11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.381 -7.341 -11.591 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.845 -6.682 -10.028 1.00 0.00 H new ATOM 542 N ARG A 40 -11.430 -9.775 -9.362 1.00 0.00 N ATOM 543 CA ARG A 40 -12.798 -10.248 -9.230 1.00 0.00 C ATOM 544 C ARG A 40 -13.700 -9.125 -8.713 1.00 0.00 C ATOM 545 O ARG A 40 -13.336 -7.952 -8.780 1.00 0.00 O ATOM 546 CB ARG A 40 -12.879 -11.439 -8.274 1.00 0.00 C ATOM 547 CG ARG A 40 -11.617 -12.300 -8.362 1.00 0.00 C ATOM 548 CD ARG A 40 -11.742 -13.546 -7.483 1.00 0.00 C ATOM 549 NE ARG A 40 -12.517 -14.589 -8.191 1.00 0.00 N ATOM 550 CZ ARG A 40 -13.107 -15.629 -7.585 1.00 0.00 C ATOM 551 NH1 ARG A 40 -13.013 -15.770 -6.256 1.00 0.00 N ATOM 552 NH2 ARG A 40 -13.790 -16.527 -8.308 1.00 0.00 N ATOM 0 H ARG A 40 -10.925 -9.679 -8.481 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.136 -10.565 -10.216 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.009 -11.082 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.754 -12.044 -8.514 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.446 -12.596 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.751 -11.716 -8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.751 -13.925 -7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.233 -13.291 -6.544 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.608 -14.512 -9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.493 -15.086 -5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.462 -16.561 -5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.861 -16.419 -9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.239 -17.318 -7.847 1.00 0.00 H new ATOM 566 N THR A 41 -14.858 -9.524 -8.210 1.00 0.00 N ATOM 567 CA THR A 41 -15.815 -8.567 -7.682 1.00 0.00 C ATOM 568 C THR A 41 -15.331 -8.015 -6.339 1.00 0.00 C ATOM 569 O THR A 41 -14.728 -6.944 -6.285 1.00 0.00 O ATOM 570 CB THR A 41 -17.178 -9.256 -7.600 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.861 -10.626 -7.370 1.00 0.00 O ATOM 572 CG2 THR A 41 -17.912 -9.263 -8.942 1.00 0.00 C ATOM 0 H THR A 41 -15.156 -10.498 -8.157 1.00 0.00 H new ATOM 0 HA THR A 41 -15.912 -7.702 -8.338 1.00 0.00 H new ATOM 0 HB THR A 41 -17.794 -8.755 -6.853 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.689 -11.146 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 41 -18.873 -9.764 -8.828 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.074 -8.237 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.312 -9.793 -9.682 1.00 0.00 H new ATOM 580 N THR A 42 -15.614 -8.771 -5.289 1.00 0.00 N ATOM 581 CA THR A 42 -15.216 -8.371 -3.950 1.00 0.00 C ATOM 582 C THR A 42 -13.811 -8.889 -3.634 1.00 0.00 C ATOM 583 O THR A 42 -13.470 -9.100 -2.471 1.00 0.00 O ATOM 584 CB THR A 42 -16.281 -8.868 -2.971 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.241 -10.286 -3.106 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.698 -8.492 -3.407 1.00 0.00 C ATOM 0 H THR A 42 -16.114 -9.659 -5.338 1.00 0.00 H new ATOM 0 HA THR A 42 -15.156 -7.286 -3.863 1.00 0.00 H new ATOM 0 HB THR A 42 -16.085 -8.456 -1.981 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.900 -10.691 -2.504 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.415 -8.869 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.783 -7.407 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.907 -8.932 -4.382 1.00 0.00 H new ATOM 594 N SER A 43 -13.034 -9.078 -4.690 1.00 0.00 N ATOM 595 CA SER A 43 -11.674 -9.567 -4.541 1.00 0.00 C ATOM 596 C SER A 43 -10.902 -9.376 -5.848 1.00 0.00 C ATOM 597 O SER A 43 -11.271 -9.939 -6.878 1.00 0.00 O ATOM 598 CB SER A 43 -11.660 -11.040 -4.126 1.00 0.00 C ATOM 599 OG SER A 43 -12.096 -11.220 -2.782 1.00 0.00 O ATOM 0 H SER A 43 -13.320 -8.901 -5.653 1.00 0.00 H new ATOM 0 HA SER A 43 -11.189 -8.991 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.303 -11.611 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.651 -11.438 -4.236 1.00 0.00 H new ATOM 0 HG SER A 43 -12.306 -10.348 -2.387 1.00 0.00 H new ATOM 605 N VAL A 44 -9.845 -8.582 -5.764 1.00 0.00 N ATOM 606 CA VAL A 44 -9.019 -8.310 -6.927 1.00 0.00 C ATOM 607 C VAL A 44 -7.552 -8.574 -6.579 1.00 0.00 C ATOM 608 O VAL A 44 -7.208 -8.734 -5.409 1.00 0.00 O ATOM 609 CB VAL A 44 -9.268 -6.885 -7.425 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.761 -6.551 -7.408 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.469 -5.870 -6.604 1.00 0.00 C ATOM 0 H VAL A 44 -9.542 -8.118 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.284 -8.977 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.924 -6.826 -8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.910 -5.533 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.297 -7.246 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.141 -6.637 -6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.664 -4.865 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.768 -5.932 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.405 -6.089 -6.690 1.00 0.00 H new ATOM 621 N ARG A 45 -6.728 -8.612 -7.616 1.00 0.00 N ATOM 622 CA ARG A 45 -5.307 -8.853 -7.434 1.00 0.00 C ATOM 623 C ARG A 45 -4.516 -8.273 -8.607 1.00 0.00 C ATOM 624 O ARG A 45 -4.658 -8.726 -9.742 1.00 0.00 O ATOM 625 CB ARG A 45 -5.013 -10.351 -7.321 1.00 0.00 C ATOM 626 CG ARG A 45 -3.585 -10.593 -6.830 1.00 0.00 C ATOM 627 CD ARG A 45 -3.025 -11.900 -7.396 1.00 0.00 C ATOM 628 NE ARG A 45 -3.252 -13.005 -6.438 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.617 -13.124 -5.264 1.00 0.00 C ATOM 630 NH1 ARG A 45 -1.712 -12.206 -4.896 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.886 -14.159 -4.458 1.00 0.00 N ATOM 0 H ARG A 45 -7.018 -8.480 -8.585 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.003 -8.363 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.721 -10.813 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.153 -10.827 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.948 -9.761 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.572 -10.629 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.505 -12.129 -8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.959 -11.793 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.935 -13.721 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.507 -11.417 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.228 -12.296 -4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.575 -14.858 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.402 -14.249 -3.565 1.00 0.00 H new ATOM 645 N LEU A 46 -3.698 -7.278 -8.294 1.00 0.00 N ATOM 646 CA LEU A 46 -2.883 -6.631 -9.308 1.00 0.00 C ATOM 647 C LEU A 46 -1.407 -6.929 -9.037 1.00 0.00 C ATOM 648 O LEU A 46 -1.061 -7.463 -7.984 1.00 0.00 O ATOM 649 CB LEU A 46 -3.206 -5.137 -9.381 1.00 0.00 C ATOM 650 CG LEU A 46 -2.334 -4.220 -8.521 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.378 -2.780 -9.037 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.731 -4.313 -7.046 1.00 0.00 C ATOM 0 H LEU A 46 -3.582 -6.904 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.113 -7.032 -10.295 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.121 -4.817 -10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.246 -4.996 -9.088 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.301 -4.558 -8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.750 -2.149 -8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.011 -2.750 -10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.404 -2.414 -9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.096 -3.652 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.773 -4.014 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.607 -5.339 -6.700 1.00 0.00 H new ATOM 664 N ILE A 47 -0.577 -6.571 -10.006 1.00 0.00 N ATOM 665 CA ILE A 47 0.854 -6.794 -9.885 1.00 0.00 C ATOM 666 C ILE A 47 1.602 -5.560 -10.395 1.00 0.00 C ATOM 667 O ILE A 47 1.214 -4.966 -11.399 1.00 0.00 O ATOM 668 CB ILE A 47 1.256 -8.091 -10.588 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.405 -7.874 -12.096 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.272 -9.217 -10.266 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.104 -7.348 -12.705 1.00 0.00 C ATOM 0 H ILE A 47 -0.868 -6.128 -10.878 1.00 0.00 H new ATOM 0 HA ILE A 47 1.132 -6.927 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 47 2.231 -8.397 -10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.212 -7.167 -12.287 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.682 -8.812 -12.576 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.581 -10.128 -10.779 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.259 -9.392 -9.190 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.726 -8.934 -10.599 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.237 -7.202 -13.777 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.696 -8.068 -12.533 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.158 -6.398 -12.239 1.00 0.00 H new ATOM 683 N TRP A 48 2.662 -5.212 -9.680 1.00 0.00 N ATOM 684 CA TRP A 48 3.468 -4.061 -10.047 1.00 0.00 C ATOM 685 C TRP A 48 4.932 -4.502 -10.088 1.00 0.00 C ATOM 686 O TRP A 48 5.239 -5.670 -9.854 1.00 0.00 O ATOM 687 CB TRP A 48 3.222 -2.892 -9.091 1.00 0.00 C ATOM 688 CG TRP A 48 3.705 -3.145 -7.662 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.851 -2.744 -7.095 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.004 -3.876 -6.634 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.940 -3.162 -5.783 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.781 -3.872 -5.494 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.755 -4.520 -6.667 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.396 -4.497 -4.301 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.384 -5.140 -5.467 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.155 -5.145 -4.311 1.00 0.00 C ATOM 0 H TRP A 48 2.981 -5.708 -8.848 1.00 0.00 H new ATOM 0 HA TRP A 48 3.188 -3.693 -11.034 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.722 -2.006 -9.481 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.155 -2.672 -9.069 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.610 -2.166 -7.601 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.714 -2.983 -5.143 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.131 -4.536 -7.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.022 -4.480 -3.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.432 -5.650 -5.438 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.798 -5.647 -3.424 1.00 0.00 H new ATOM 707 N GLN A 49 5.798 -3.544 -10.386 1.00 0.00 N ATOM 708 CA GLN A 49 7.222 -3.820 -10.460 1.00 0.00 C ATOM 709 C GLN A 49 8.013 -2.722 -9.746 1.00 0.00 C ATOM 710 O GLN A 49 7.489 -1.637 -9.496 1.00 0.00 O ATOM 711 CB GLN A 49 7.678 -3.966 -11.914 1.00 0.00 C ATOM 712 CG GLN A 49 7.573 -5.420 -12.377 1.00 0.00 C ATOM 713 CD GLN A 49 8.043 -5.569 -13.826 1.00 0.00 C ATOM 714 OE1 GLN A 49 8.972 -6.298 -14.133 1.00 0.00 O ATOM 715 NE2 GLN A 49 7.352 -4.839 -14.696 1.00 0.00 N ATOM 0 H GLN A 49 5.540 -2.576 -10.579 1.00 0.00 H new ATOM 0 HA GLN A 49 7.415 -4.767 -9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.068 -3.331 -12.556 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.708 -3.623 -12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.175 -6.056 -11.728 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.541 -5.760 -12.289 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.585 -4.250 -14.372 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.588 -4.868 -15.688 1.00 0.00 H new ATOM 724 N PRO A 50 9.294 -3.049 -9.430 1.00 0.00 N ATOM 725 CA PRO A 50 10.163 -2.104 -8.749 1.00 0.00 C ATOM 726 C PRO A 50 10.642 -1.011 -9.707 1.00 0.00 C ATOM 727 O PRO A 50 10.740 -1.237 -10.913 1.00 0.00 O ATOM 728 CB PRO A 50 11.299 -2.944 -8.190 1.00 0.00 C ATOM 729 CG PRO A 50 11.273 -4.250 -8.968 1.00 0.00 C ATOM 730 CD PRO A 50 9.948 -4.324 -9.710 1.00 0.00 C ATOM 0 HA PRO A 50 9.654 -1.566 -7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.256 -2.436 -8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.165 -3.122 -7.123 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.106 -4.293 -9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.380 -5.099 -8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.101 -4.464 -10.780 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.345 -5.163 -9.362 1.00 0.00 H new ATOM 738 N PRO A 51 10.936 0.180 -9.121 1.00 0.00 N ATOM 739 CA PRO A 51 11.403 1.307 -9.909 1.00 0.00 C ATOM 740 C PRO A 51 12.861 1.116 -10.330 1.00 0.00 C ATOM 741 O PRO A 51 13.748 1.023 -9.483 1.00 0.00 O ATOM 742 CB PRO A 51 11.196 2.522 -9.019 1.00 0.00 C ATOM 743 CG PRO A 51 11.059 1.983 -7.604 1.00 0.00 C ATOM 744 CD PRO A 51 10.832 0.483 -7.696 1.00 0.00 C ATOM 0 HA PRO A 51 10.858 1.419 -10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.038 3.210 -9.095 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.305 3.075 -9.314 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.957 2.198 -7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.226 2.464 -7.091 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.576 -0.066 -7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.854 0.205 -7.302 1.00 0.00 H new ATOM 752 N ALA A 52 13.063 1.062 -11.638 1.00 0.00 N ATOM 753 CA ALA A 52 14.399 0.883 -12.182 1.00 0.00 C ATOM 754 C ALA A 52 15.386 1.746 -11.394 1.00 0.00 C ATOM 755 O ALA A 52 16.551 1.383 -11.243 1.00 0.00 O ATOM 756 CB ALA A 52 14.392 1.220 -13.675 1.00 0.00 C ATOM 0 H ALA A 52 12.324 1.139 -12.337 1.00 0.00 H new ATOM 0 HA ALA A 52 14.717 -0.155 -12.084 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.394 1.086 -14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.697 0.559 -14.194 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.080 2.255 -13.813 1.00 0.00 H new ATOM 762 N ALA A 53 14.883 2.874 -10.913 1.00 0.00 N ATOM 763 CA ALA A 53 15.706 3.792 -10.144 1.00 0.00 C ATOM 764 C ALA A 53 15.154 3.894 -8.720 1.00 0.00 C ATOM 765 O ALA A 53 14.364 4.788 -8.420 1.00 0.00 O ATOM 766 CB ALA A 53 15.753 5.149 -10.850 1.00 0.00 C ATOM 0 H ALA A 53 13.916 3.173 -11.041 1.00 0.00 H new ATOM 0 HA ALA A 53 16.730 3.425 -10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.370 5.838 -10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.179 5.027 -11.846 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.743 5.550 -10.934 1.00 0.00 H new ATOM 772 N PRO A 54 15.604 2.942 -7.860 1.00 0.00 N ATOM 773 CA PRO A 54 15.165 2.917 -6.475 1.00 0.00 C ATOM 774 C PRO A 54 15.845 4.021 -5.664 1.00 0.00 C ATOM 775 O PRO A 54 15.224 4.629 -4.793 1.00 0.00 O ATOM 776 CB PRO A 54 15.504 1.521 -5.980 1.00 0.00 C ATOM 777 CG PRO A 54 16.536 0.973 -6.953 1.00 0.00 C ATOM 778 CD PRO A 54 16.540 1.869 -8.181 1.00 0.00 C ATOM 0 HA PRO A 54 14.098 3.115 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.902 1.552 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.616 0.889 -5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.523 0.953 -6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.293 -0.053 -7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.537 2.260 -8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.226 1.323 -9.071 1.00 0.00 H new ATOM 786 N ASN A 55 17.112 4.247 -5.978 1.00 0.00 N ATOM 787 CA ASN A 55 17.883 5.268 -5.288 1.00 0.00 C ATOM 788 C ASN A 55 17.637 5.157 -3.782 1.00 0.00 C ATOM 789 O ASN A 55 17.461 6.167 -3.103 1.00 0.00 O ATOM 790 CB ASN A 55 17.464 6.670 -5.734 1.00 0.00 C ATOM 791 CG ASN A 55 17.031 6.673 -7.202 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.841 6.640 -8.114 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.714 6.714 -7.377 1.00 0.00 N ATOM 0 H ASN A 55 17.624 3.741 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 55 18.935 5.114 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.644 7.024 -5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.294 7.363 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.325 6.719 -8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.093 6.740 -6.569 1.00 0.00 H new ATOM 800 N GLY A 56 17.633 3.921 -3.305 1.00 0.00 N ATOM 801 CA GLY A 56 17.411 3.665 -1.892 1.00 0.00 C ATOM 802 C GLY A 56 16.805 2.277 -1.675 1.00 0.00 C ATOM 803 O GLY A 56 15.784 1.941 -2.273 1.00 0.00 O ATOM 0 H GLY A 56 17.780 3.086 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.355 3.742 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.746 4.424 -1.481 1.00 0.00 H new ATOM 807 N ILE A 57 17.460 1.508 -0.817 1.00 0.00 N ATOM 808 CA ILE A 57 16.999 0.164 -0.514 1.00 0.00 C ATOM 809 C ILE A 57 15.538 0.220 -0.063 1.00 0.00 C ATOM 810 O ILE A 57 15.192 0.981 0.840 1.00 0.00 O ATOM 811 CB ILE A 57 17.930 -0.506 0.499 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.130 -1.147 -0.200 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.166 -1.511 1.364 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.663 -0.244 -1.314 1.00 0.00 C ATOM 0 H ILE A 57 18.306 1.790 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 57 17.034 -0.461 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 57 18.319 0.263 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.919 -1.338 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.840 -2.112 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.850 -1.973 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.373 -0.996 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.730 -2.281 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.516 -0.724 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.879 -0.075 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.975 0.711 -0.891 1.00 0.00 H new ATOM 826 N ILE A 58 14.720 -0.594 -0.713 1.00 0.00 N ATOM 827 CA ILE A 58 13.304 -0.646 -0.390 1.00 0.00 C ATOM 828 C ILE A 58 13.115 -1.373 0.943 1.00 0.00 C ATOM 829 O ILE A 58 13.702 -2.431 1.166 1.00 0.00 O ATOM 830 CB ILE A 58 12.514 -1.265 -1.545 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.885 -0.611 -2.877 1.00 0.00 C ATOM 832 CG2 ILE A 58 11.009 -1.202 -1.275 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.586 0.889 -2.854 1.00 0.00 C ATOM 0 H ILE A 58 15.010 -1.223 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 58 12.905 0.360 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 58 12.785 -2.318 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.943 -0.771 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.328 -1.084 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.470 -1.648 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.780 -1.751 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.703 -0.162 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.859 1.329 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.523 1.045 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 58 13.163 1.363 -2.060 1.00 0.00 H new ATOM 845 N LEU A 59 12.295 -0.775 1.795 1.00 0.00 N ATOM 846 CA LEU A 59 12.022 -1.352 3.101 1.00 0.00 C ATOM 847 C LEU A 59 10.648 -2.024 3.079 1.00 0.00 C ATOM 848 O LEU A 59 10.400 -2.963 3.834 1.00 0.00 O ATOM 849 CB LEU A 59 12.173 -0.295 4.196 1.00 0.00 C ATOM 850 CG LEU A 59 13.607 0.119 4.535 1.00 0.00 C ATOM 851 CD1 LEU A 59 14.424 0.357 3.264 1.00 0.00 C ATOM 852 CD2 LEU A 59 13.621 1.337 5.462 1.00 0.00 C ATOM 0 H LEU A 59 11.811 0.103 1.607 1.00 0.00 H new ATOM 0 HA LEU A 59 12.752 -2.126 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.621 0.595 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.700 -0.670 5.103 1.00 0.00 H new ATOM 0 HG LEU A 59 14.081 -0.701 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.439 0.650 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.455 -0.559 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.961 1.150 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.652 1.611 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.122 2.173 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.099 1.096 6.388 1.00 0.00 H new ATOM 864 N ALA A 60 9.790 -1.515 2.207 1.00 0.00 N ATOM 865 CA ALA A 60 8.446 -2.054 2.078 1.00 0.00 C ATOM 866 C ALA A 60 7.675 -1.245 1.033 1.00 0.00 C ATOM 867 O ALA A 60 8.260 -0.438 0.312 1.00 0.00 O ATOM 868 CB ALA A 60 7.759 -2.046 3.445 1.00 0.00 C ATOM 0 H ALA A 60 9.999 -0.736 1.583 1.00 0.00 H new ATOM 0 HA ALA A 60 8.479 -3.088 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.751 -2.450 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.330 -2.658 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.705 -1.024 3.819 1.00 0.00 H new ATOM 874 N TYR A 61 6.374 -1.489 0.985 1.00 0.00 N ATOM 875 CA TYR A 61 5.517 -0.793 0.040 1.00 0.00 C ATOM 876 C TYR A 61 4.156 -0.476 0.664 1.00 0.00 C ATOM 877 O TYR A 61 3.858 -0.923 1.771 1.00 0.00 O ATOM 878 CB TYR A 61 5.315 -1.753 -1.133 1.00 0.00 C ATOM 879 CG TYR A 61 6.401 -1.661 -2.207 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.580 -2.362 -2.058 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.202 -0.875 -3.324 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.602 -2.275 -3.069 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.224 -0.788 -4.335 1.00 0.00 C ATOM 884 CZ TYR A 61 8.374 -1.492 -4.157 1.00 0.00 C ATOM 885 OH TYR A 61 9.339 -1.410 -5.112 1.00 0.00 O ATOM 0 H TYR A 61 5.892 -2.159 1.585 1.00 0.00 H new ATOM 0 HA TYR A 61 5.970 0.150 -0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.281 -2.774 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.347 -1.551 -1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.736 -2.976 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.280 -0.325 -3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.529 -2.820 -2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.080 -0.178 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 61 9.846 -2.248 -5.138 1.00 0.00 H new ATOM 895 N GLN A 62 3.367 0.293 -0.072 1.00 0.00 N ATOM 896 CA GLN A 62 2.046 0.674 0.395 1.00 0.00 C ATOM 897 C GLN A 62 1.031 0.580 -0.746 1.00 0.00 C ATOM 898 O GLN A 62 1.287 1.060 -1.849 1.00 0.00 O ATOM 899 CB GLN A 62 2.062 2.079 1.000 1.00 0.00 C ATOM 900 CG GLN A 62 0.652 2.524 1.393 1.00 0.00 C ATOM 901 CD GLN A 62 0.368 3.945 0.900 1.00 0.00 C ATOM 902 OE1 GLN A 62 0.252 4.206 -0.286 1.00 0.00 O ATOM 903 NE2 GLN A 62 0.261 4.844 1.874 1.00 0.00 N ATOM 0 H GLN A 62 3.618 0.662 -0.989 1.00 0.00 H new ATOM 0 HA GLN A 62 1.746 -0.020 1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.709 2.094 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.482 2.783 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.081 1.836 0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.542 2.482 2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.369 4.557 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.071 5.820 1.648 1.00 0.00 H new ATOM 912 N ILE A 63 -0.098 -0.042 -0.442 1.00 0.00 N ATOM 913 CA ILE A 63 -1.152 -0.205 -1.429 1.00 0.00 C ATOM 914 C ILE A 63 -2.457 0.371 -0.875 1.00 0.00 C ATOM 915 O ILE A 63 -3.071 -0.217 0.015 1.00 0.00 O ATOM 916 CB ILE A 63 -1.260 -1.669 -1.860 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.763 -1.856 -3.295 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.686 -2.191 -1.675 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.120 -3.100 -3.412 1.00 0.00 C ATOM 0 H ILE A 63 -0.306 -0.439 0.474 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.916 0.353 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.613 -2.264 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.614 -1.945 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.200 -0.976 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.735 -3.234 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.968 -2.114 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.372 -1.597 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.460 -3.209 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.983 -2.997 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.453 -3.981 -3.123 1.00 0.00 H new ATOM 931 N THR A 64 -2.843 1.513 -1.424 1.00 0.00 N ATOM 932 CA THR A 64 -4.063 2.175 -0.996 1.00 0.00 C ATOM 933 C THR A 64 -5.210 1.852 -1.956 1.00 0.00 C ATOM 934 O THR A 64 -5.088 2.052 -3.164 1.00 0.00 O ATOM 935 CB THR A 64 -3.773 3.672 -0.878 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.737 4.126 -2.228 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.365 3.956 -0.352 1.00 0.00 C ATOM 0 H THR A 64 -2.332 1.997 -2.162 1.00 0.00 H new ATOM 0 HA THR A 64 -4.387 1.814 -0.020 1.00 0.00 H new ATOM 0 HB THR A 64 -4.507 4.133 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.934 3.378 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.211 5.033 -0.288 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.250 3.513 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.629 3.524 -1.031 1.00 0.00 H new ATOM 945 N HIS A 65 -6.297 1.357 -1.383 1.00 0.00 N ATOM 946 CA HIS A 65 -7.465 1.005 -2.173 1.00 0.00 C ATOM 947 C HIS A 65 -8.657 1.859 -1.737 1.00 0.00 C ATOM 948 O HIS A 65 -8.907 2.020 -0.544 1.00 0.00 O ATOM 949 CB HIS A 65 -7.748 -0.497 -2.085 1.00 0.00 C ATOM 950 CG HIS A 65 -7.436 -1.102 -0.736 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.398 -1.289 0.241 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.262 -1.560 -0.215 1.00 0.00 C ATOM 953 CE1 HIS A 65 -7.817 -1.835 1.299 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.494 -2.002 1.015 1.00 0.00 N ATOM 0 H HIS A 65 -6.394 1.191 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.275 1.219 -3.225 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.799 -0.673 -2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.163 -1.012 -2.847 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -9.386 -1.048 0.160 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.306 -1.563 -0.718 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.306 -2.101 2.225 1.00 0.00 H new ATOM 962 N ARG A 66 -9.361 2.385 -2.729 1.00 0.00 N ATOM 963 CA ARG A 66 -10.520 3.219 -2.463 1.00 0.00 C ATOM 964 C ARG A 66 -11.397 3.324 -3.713 1.00 0.00 C ATOM 965 O ARG A 66 -10.916 3.141 -4.830 1.00 0.00 O ATOM 966 CB ARG A 66 -10.100 4.623 -2.024 1.00 0.00 C ATOM 967 CG ARG A 66 -9.403 5.368 -3.164 1.00 0.00 C ATOM 968 CD ARG A 66 -9.092 6.812 -2.766 1.00 0.00 C ATOM 969 NE ARG A 66 -9.860 7.749 -3.616 1.00 0.00 N ATOM 970 CZ ARG A 66 -9.608 7.965 -4.914 1.00 0.00 C ATOM 971 NH1 ARG A 66 -8.606 7.312 -5.520 1.00 0.00 N ATOM 972 NH2 ARG A 66 -10.357 8.833 -5.607 1.00 0.00 N ATOM 0 H ARG A 66 -9.151 2.250 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.085 2.753 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.977 5.184 -1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.431 4.555 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.479 4.853 -3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.038 5.360 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.343 6.971 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.024 7.005 -2.871 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.630 8.263 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.036 6.651 -4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.414 7.476 -6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.120 9.330 -5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.165 8.997 -6.595 1.00 0.00 H new ATOM 986 N LEU A 67 -12.668 3.617 -3.482 1.00 0.00 N ATOM 987 CA LEU A 67 -13.616 3.748 -4.575 1.00 0.00 C ATOM 988 C LEU A 67 -13.488 5.143 -5.191 1.00 0.00 C ATOM 989 O LEU A 67 -13.684 6.147 -4.509 1.00 0.00 O ATOM 990 CB LEU A 67 -15.031 3.413 -4.101 1.00 0.00 C ATOM 991 CG LEU A 67 -15.415 1.932 -4.128 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.876 1.737 -3.716 1.00 0.00 C ATOM 993 CD2 LEU A 67 -15.117 1.314 -5.495 1.00 0.00 C ATOM 0 H LEU A 67 -13.064 3.767 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.390 3.029 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.147 3.779 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.740 3.963 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.802 1.406 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.123 0.676 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.023 2.118 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.524 2.279 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.399 0.261 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.687 1.837 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.052 1.403 -5.710 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.576 -0.517 2.899 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.859 -1.616 3.522 1.00 0.00 C ATOM 1141 C GLU A 78 -0.375 -1.558 3.156 1.00 0.00 C ATOM 1142 O GLU A 78 -0.026 -1.322 2.000 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.469 -2.962 3.125 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.491 -4.108 3.394 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.205 -5.300 4.034 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.281 -5.664 3.513 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -1.659 -5.820 5.031 1.00 0.00 O ATOM 0 HA GLU A 78 -1.950 -1.517 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.390 -3.127 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.735 -2.947 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.023 -4.419 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.692 -3.763 4.051 1.00 0.00 H new ATOM 1154 N VAL A 79 0.459 -1.776 4.162 1.00 0.00 N ATOM 1155 CA VAL A 79 1.898 -1.751 3.960 1.00 0.00 C ATOM 1156 C VAL A 79 2.378 -3.149 3.565 1.00 0.00 C ATOM 1157 O VAL A 79 2.085 -4.127 4.252 1.00 0.00 O ATOM 1158 CB VAL A 79 2.593 -1.212 5.212 1.00 0.00 C ATOM 1159 CG1 VAL A 79 3.977 -1.840 5.384 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.684 0.314 5.175 1.00 0.00 C ATOM 0 H VAL A 79 0.166 -1.971 5.119 1.00 0.00 H new ATOM 0 HA VAL A 79 2.157 -1.076 3.144 1.00 0.00 H new ATOM 0 HB VAL A 79 1.989 -1.490 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.449 -1.440 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.877 -2.921 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.593 -1.607 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.182 0.671 6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.254 0.623 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.681 0.737 5.123 1.00 0.00 H new ATOM 1170 N LEU A 80 3.106 -3.199 2.459 1.00 0.00 N ATOM 1171 CA LEU A 80 3.629 -4.462 1.965 1.00 0.00 C ATOM 1172 C LEU A 80 5.142 -4.505 2.189 1.00 0.00 C ATOM 1173 O LEU A 80 5.743 -3.507 2.584 1.00 0.00 O ATOM 1174 CB LEU A 80 3.217 -4.678 0.507 1.00 0.00 C ATOM 1175 CG LEU A 80 1.750 -5.044 0.272 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.186 -4.300 -0.940 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.576 -6.559 0.147 1.00 0.00 C ATOM 0 H LEU A 80 3.346 -2.386 1.891 1.00 0.00 H new ATOM 0 HA LEU A 80 3.200 -5.296 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.438 -3.768 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.840 -5.468 0.087 1.00 0.00 H new ATOM 0 HG LEU A 80 1.175 -4.725 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.142 -4.578 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.255 -3.225 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.759 -4.565 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.524 -6.792 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.166 -6.925 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.913 -7.041 1.065 1.00 0.00 H new ATOM 1189 N ALA A 81 5.714 -5.671 1.927 1.00 0.00 N ATOM 1190 CA ALA A 81 7.145 -5.857 2.095 1.00 0.00 C ATOM 1191 C ALA A 81 7.877 -5.270 0.886 1.00 0.00 C ATOM 1192 O ALA A 81 7.253 -4.942 -0.123 1.00 0.00 O ATOM 1193 CB ALA A 81 7.447 -7.344 2.293 1.00 0.00 C ATOM 0 H ALA A 81 5.212 -6.496 1.600 1.00 0.00 H new ATOM 0 HA ALA A 81 7.498 -5.331 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.521 -7.484 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.927 -7.706 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.108 -7.903 1.421 1.00 0.00 H new ATOM 1199 N PRO A 82 9.224 -5.152 1.031 1.00 0.00 N ATOM 1200 CA PRO A 82 10.047 -4.611 -0.037 1.00 0.00 C ATOM 1201 C PRO A 82 10.223 -5.630 -1.164 1.00 0.00 C ATOM 1202 O PRO A 82 10.812 -5.321 -2.199 1.00 0.00 O ATOM 1203 CB PRO A 82 11.359 -4.232 0.631 1.00 0.00 C ATOM 1204 CG PRO A 82 11.394 -4.998 1.944 1.00 0.00 C ATOM 1205 CD PRO A 82 9.996 -5.530 2.211 1.00 0.00 C ATOM 0 HA PRO A 82 9.595 -3.744 -0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.209 -4.497 0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.413 -3.157 0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.110 -5.818 1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.717 -4.347 2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.004 -6.611 2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.573 -5.095 3.117 1.00 0.00 H new ATOM 1213 N SER A 83 9.701 -6.824 -0.926 1.00 0.00 N ATOM 1214 CA SER A 83 9.793 -7.891 -1.908 1.00 0.00 C ATOM 1215 C SER A 83 8.394 -8.281 -2.390 1.00 0.00 C ATOM 1216 O SER A 83 8.133 -9.450 -2.668 1.00 0.00 O ATOM 1217 CB SER A 83 10.515 -9.110 -1.332 1.00 0.00 C ATOM 1218 OG SER A 83 11.550 -9.575 -2.195 1.00 0.00 O ATOM 0 H SER A 83 9.213 -7.076 -0.067 1.00 0.00 H new ATOM 0 HA SER A 83 10.374 -7.526 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.940 -8.854 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.796 -9.912 -1.164 1.00 0.00 H new ATOM 0 HG SER A 83 11.988 -10.353 -1.791 1.00 0.00 H new ATOM 1224 N ALA A 84 7.531 -7.279 -2.473 1.00 0.00 N ATOM 1225 CA ALA A 84 6.165 -7.503 -2.915 1.00 0.00 C ATOM 1226 C ALA A 84 6.031 -7.072 -4.377 1.00 0.00 C ATOM 1227 O ALA A 84 6.438 -5.971 -4.744 1.00 0.00 O ATOM 1228 CB ALA A 84 5.201 -6.752 -1.995 1.00 0.00 C ATOM 0 H ALA A 84 7.751 -6.310 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 84 5.911 -8.562 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.176 -6.920 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.316 -7.115 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.423 -5.685 -2.028 1.00 0.00 H new ATOM 1234 N ARG A 85 5.457 -7.963 -5.173 1.00 0.00 N ATOM 1235 CA ARG A 85 5.264 -7.689 -6.587 1.00 0.00 C ATOM 1236 C ARG A 85 3.773 -7.559 -6.903 1.00 0.00 C ATOM 1237 O ARG A 85 3.395 -6.906 -7.874 1.00 0.00 O ATOM 1238 CB ARG A 85 5.867 -8.799 -7.450 1.00 0.00 C ATOM 1239 CG ARG A 85 6.699 -8.213 -8.593 1.00 0.00 C ATOM 1240 CD ARG A 85 8.195 -8.406 -8.337 1.00 0.00 C ATOM 1241 NE ARG A 85 8.880 -8.778 -9.595 1.00 0.00 N ATOM 1242 CZ ARG A 85 10.190 -9.043 -9.687 1.00 0.00 C ATOM 1243 NH1 ARG A 85 10.965 -8.978 -8.595 1.00 0.00 N ATOM 1244 NH2 ARG A 85 10.726 -9.372 -10.870 1.00 0.00 N ATOM 0 H ARG A 85 5.119 -8.875 -4.865 1.00 0.00 H new ATOM 0 HA ARG A 85 5.770 -6.751 -6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.493 -9.445 -6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.070 -9.422 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.422 -8.692 -9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.479 -7.151 -8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.625 -7.488 -7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.347 -9.182 -7.587 1.00 0.00 H new ATOM 0 HE ARG A 85 8.320 -8.836 -10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.557 -8.727 -7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.962 -9.180 -8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.137 -9.421 -11.701 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.723 -9.574 -10.940 1.00 0.00 H new ATOM 1258 N GLN A 86 2.965 -8.192 -6.064 1.00 0.00 N ATOM 1259 CA GLN A 86 1.524 -8.155 -6.242 1.00 0.00 C ATOM 1260 C GLN A 86 0.821 -8.153 -4.883 1.00 0.00 C ATOM 1261 O GLN A 86 1.405 -8.553 -3.878 1.00 0.00 O ATOM 1262 CB GLN A 86 1.048 -9.326 -7.104 1.00 0.00 C ATOM 1263 CG GLN A 86 1.557 -10.658 -6.549 1.00 0.00 C ATOM 1264 CD GLN A 86 2.162 -11.519 -7.660 1.00 0.00 C ATOM 1265 OE1 GLN A 86 3.302 -11.349 -8.061 1.00 0.00 O ATOM 1266 NE2 GLN A 86 1.338 -12.450 -8.132 1.00 0.00 N ATOM 0 H GLN A 86 3.282 -8.733 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 86 1.265 -7.234 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -0.041 -9.336 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.400 -9.196 -8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.306 -10.473 -5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.737 -11.195 -6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 86 0.396 -12.538 -7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.648 -13.076 -8.875 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.423 -7.697 -4.897 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.212 -7.637 -3.678 1.00 0.00 C ATOM 1277 C TYR A 87 -2.680 -7.966 -3.958 1.00 0.00 C ATOM 1278 O TYR A 87 -3.253 -7.482 -4.932 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.111 -6.194 -3.181 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.133 -5.835 -2.100 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -3.393 -5.400 -2.459 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -1.796 -5.947 -0.767 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -4.355 -5.063 -1.442 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -2.758 -5.609 0.250 1.00 0.00 C ATOM 1285 CZ TYR A 87 -3.990 -5.184 -0.138 1.00 0.00 C ATOM 1286 OH TYR A 87 -4.899 -4.865 0.822 1.00 0.00 O ATOM 0 H TYR A 87 -0.904 -7.366 -5.733 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.845 -8.358 -2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.108 -6.025 -2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.240 -5.519 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.657 -5.312 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.811 -6.288 -0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.344 -4.722 -1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.507 -5.691 1.297 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.234 -3.957 0.666 1.00 0.00 H new ATOM 1296 N THR A 88 -3.245 -8.788 -3.086 1.00 0.00 N ATOM 1297 CA THR A 88 -4.635 -9.188 -3.227 1.00 0.00 C ATOM 1298 C THR A 88 -5.541 -8.262 -2.413 1.00 0.00 C ATOM 1299 O THR A 88 -5.352 -8.105 -1.207 1.00 0.00 O ATOM 1300 CB THR A 88 -4.748 -10.659 -2.822 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.799 -11.321 -3.653 1.00 0.00 O ATOM 1302 CG2 THR A 88 -6.090 -11.275 -3.222 1.00 0.00 C ATOM 0 H THR A 88 -2.766 -9.188 -2.279 1.00 0.00 H new ATOM 0 HA THR A 88 -4.971 -9.094 -4.260 1.00 0.00 H new ATOM 0 HB THR A 88 -4.615 -10.750 -1.744 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.246 -11.918 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.118 -12.319 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.900 -10.730 -2.736 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.210 -11.215 -4.304 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.506 -7.673 -3.104 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.442 -6.767 -2.460 1.00 0.00 C ATOM 1312 C ALA A 89 -8.783 -7.479 -2.267 1.00 0.00 C ATOM 1313 O ALA A 89 -9.452 -7.824 -3.239 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.574 -5.492 -3.294 1.00 0.00 C ATOM 0 H ALA A 89 -6.660 -7.806 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.078 -6.476 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.276 -4.812 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.600 -5.009 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.940 -5.744 -4.289 1.00 0.00 H new ATOM 1320 N THR A 90 -9.135 -7.677 -1.005 1.00 0.00 N ATOM 1321 CA THR A 90 -10.384 -8.341 -0.672 1.00 0.00 C ATOM 1322 C THR A 90 -11.306 -7.390 0.093 1.00 0.00 C ATOM 1323 O THR A 90 -10.843 -6.429 0.706 1.00 0.00 O ATOM 1324 CB THR A 90 -10.048 -9.616 0.104 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.253 -9.161 1.195 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.116 -10.547 -0.674 1.00 0.00 C ATOM 0 H THR A 90 -8.577 -7.389 -0.201 1.00 0.00 H new ATOM 0 HA THR A 90 -10.934 -8.624 -1.570 1.00 0.00 H new ATOM 0 HB THR A 90 -10.969 -10.145 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.993 -9.925 1.751 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.910 -11.436 -0.078 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.592 -10.840 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.181 -10.029 -0.889 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.595 -7.690 0.031 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.587 -6.873 0.710 1.00 0.00 C ATOM 1336 C GLY A 91 -13.882 -5.598 -0.082 1.00 0.00 C ATOM 1337 O GLY A 91 -13.811 -4.496 0.460 1.00 0.00 O ATOM 0 H GLY A 91 -12.976 -8.487 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.506 -7.445 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.229 -6.612 1.706 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.208 -5.790 -1.352 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.515 -4.669 -2.224 1.00 0.00 C ATOM 1343 C LEU A 92 -15.942 -4.817 -2.755 1.00 0.00 C ATOM 1344 O LEU A 92 -16.504 -5.911 -2.737 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.459 -4.542 -3.324 1.00 0.00 C ATOM 1346 CG LEU A 92 -12.007 -4.736 -2.885 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.153 -5.270 -4.037 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.433 -3.445 -2.297 1.00 0.00 C ATOM 0 H LEU A 92 -14.266 -6.705 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.478 -3.732 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.683 -5.272 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.552 -3.555 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.987 -5.486 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.125 -5.399 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.549 -6.230 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.176 -4.562 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.400 -3.612 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.468 -2.656 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.022 -3.146 -1.430 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.487 -3.701 -3.215 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.838 -3.693 -3.750 1.00 0.00 C ATOM 1362 C LYS A 93 -17.779 -3.822 -5.274 1.00 0.00 C ATOM 1363 O LYS A 93 -17.032 -3.100 -5.933 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.598 -2.456 -3.267 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.938 -2.318 -3.993 1.00 0.00 C ATOM 1366 CD LYS A 93 -20.053 -0.954 -4.676 1.00 0.00 C ATOM 1367 CE LYS A 93 -20.088 0.175 -3.645 1.00 0.00 C ATOM 1368 NZ LYS A 93 -20.317 1.478 -4.309 1.00 0.00 N ATOM 0 H LYS A 93 -16.018 -2.796 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.400 -4.550 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.768 -2.526 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.994 -1.564 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -20.037 -3.110 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.755 -2.443 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -19.209 -0.809 -5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.957 -0.923 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -20.878 -0.013 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.148 0.201 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.858 2.233 -3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.915 1.454 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.339 1.664 -4.366 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.597 -4.770 -5.802 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.645 -5.003 -7.236 1.00 0.00 C ATOM 1384 C PRO A 94 -19.419 -3.891 -7.947 1.00 0.00 C ATOM 1385 O PRO A 94 -20.184 -3.162 -7.317 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.293 -6.370 -7.391 1.00 0.00 C ATOM 1387 CG PRO A 94 -20.003 -6.646 -6.076 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.495 -5.644 -5.052 1.00 0.00 C ATOM 0 HA PRO A 94 -17.658 -4.990 -7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.996 -6.377 -8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.545 -7.135 -7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.082 -6.553 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.807 -7.665 -5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.316 -5.081 -4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.972 -6.143 -4.236 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.192 -3.795 -9.248 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.858 -2.783 -10.051 1.00 0.00 C ATOM 1398 C GLU A 95 -19.390 -1.386 -9.639 1.00 0.00 C ATOM 1399 O GLU A 95 -20.202 -0.473 -9.497 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.378 -2.908 -9.939 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.868 -4.218 -10.559 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.351 -4.000 -11.994 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.554 -3.696 -12.148 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -21.507 -4.141 -12.905 1.00 0.00 O ATOM 0 H GLU A 95 -18.556 -4.401 -9.767 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.590 -2.941 -11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.674 -2.865 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.854 -2.064 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.062 -4.952 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.679 -4.628 -9.957 1.00 0.00 H new ATOM 1411 N SER A 96 -18.083 -1.263 -9.459 1.00 0.00 N ATOM 1412 CA SER A 96 -17.498 0.008 -9.067 1.00 0.00 C ATOM 1413 C SER A 96 -16.057 0.099 -9.573 1.00 0.00 C ATOM 1414 O SER A 96 -15.593 -0.780 -10.297 1.00 0.00 O ATOM 1415 CB SER A 96 -17.540 0.187 -7.548 1.00 0.00 C ATOM 1416 OG SER A 96 -18.841 0.541 -7.087 1.00 0.00 O ATOM 0 H SER A 96 -17.413 -2.023 -9.577 1.00 0.00 H new ATOM 0 HA SER A 96 -18.085 0.809 -9.517 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.224 -0.738 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.829 0.959 -7.254 1.00 0.00 H new ATOM 0 HG SER A 96 -19.496 0.377 -7.798 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.390 1.171 -9.172 1.00 0.00 N ATOM 1423 CA VAL A 97 -14.011 1.389 -9.576 1.00 0.00 C ATOM 1424 C VAL A 97 -13.156 1.651 -8.335 1.00 0.00 C ATOM 1425 O VAL A 97 -13.545 2.424 -7.460 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.939 2.522 -10.601 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.571 2.556 -11.285 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -15.064 2.401 -11.631 1.00 0.00 C ATOM 0 H VAL A 97 -15.779 1.898 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.611 0.500 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.071 3.464 -10.069 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.546 3.370 -12.009 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.794 2.712 -10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.397 1.610 -11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.990 3.218 -12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.977 1.449 -12.155 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -16.028 2.449 -11.124 1.00 0.00 H new ATOM 1438 N TYR A 98 -12.007 0.992 -8.297 1.00 0.00 N ATOM 1439 CA TYR A 98 -11.094 1.143 -7.177 1.00 0.00 C ATOM 1440 C TYR A 98 -9.723 1.631 -7.650 1.00 0.00 C ATOM 1441 O TYR A 98 -9.156 1.082 -8.594 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.942 -0.250 -6.564 1.00 0.00 C ATOM 1443 CG TYR A 98 -12.011 -0.592 -5.524 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.240 -1.070 -5.928 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.745 -0.421 -4.180 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.246 -1.391 -4.949 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.750 -0.742 -3.201 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.951 -1.211 -3.633 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.901 -1.515 -2.708 1.00 0.00 O ATOM 0 H TYR A 98 -11.688 0.352 -9.024 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.479 1.873 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.975 -0.992 -7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.959 -0.326 -6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.448 -1.204 -6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.783 -0.046 -3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.212 -1.766 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.555 -0.613 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.551 -1.338 -1.810 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.229 2.657 -6.973 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.935 3.225 -7.312 1.00 0.00 C ATOM 1461 C LEU A 99 -6.858 2.592 -6.429 1.00 0.00 C ATOM 1462 O LEU A 99 -6.904 2.713 -5.206 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.981 4.752 -7.228 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.628 5.466 -7.252 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -6.041 5.575 -5.844 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.665 4.782 -8.224 1.00 0.00 C ATOM 0 H LEU A 99 -9.702 3.110 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.677 2.994 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.581 5.124 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.500 5.030 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.784 6.482 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.079 6.086 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.723 6.140 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.902 4.577 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.711 5.309 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.509 3.748 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.088 4.801 -9.229 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.914 1.931 -7.083 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.827 1.280 -6.372 1.00 0.00 C ATOM 1480 C PHE A 100 -3.545 2.110 -6.451 1.00 0.00 C ATOM 1481 O PHE A 100 -2.957 2.252 -7.522 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.591 -0.068 -7.056 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.492 -1.193 -6.542 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.809 -1.218 -6.880 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.975 -2.169 -5.747 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.645 -2.262 -6.403 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.812 -3.213 -5.270 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.129 -3.237 -5.608 1.00 0.00 C ATOM 0 H PHE A 100 -5.880 1.832 -8.098 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.087 1.163 -5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.748 0.048 -8.128 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.550 -0.358 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.219 -0.444 -7.511 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.929 -2.150 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.691 -2.282 -6.672 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.402 -3.988 -4.639 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.765 -4.031 -5.245 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.148 2.638 -5.302 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.946 3.451 -5.228 1.00 0.00 C ATOM 1500 C ARG A 101 -0.798 2.646 -4.615 1.00 0.00 C ATOM 1501 O ARG A 101 -0.819 2.335 -3.425 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.182 4.708 -4.389 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.386 5.893 -4.941 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.168 7.199 -4.786 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.452 7.452 -3.355 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.016 8.574 -2.889 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -3.360 9.553 -3.736 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -3.236 8.717 -1.575 1.00 0.00 N ATOM 0 H ARG A 101 -3.637 2.519 -4.415 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.684 3.749 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.245 4.951 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.891 4.520 -3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.433 5.971 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.158 5.724 -5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.595 8.027 -5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.101 7.142 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.203 6.727 -2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.193 9.444 -4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.789 10.407 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.974 7.972 -0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.665 9.571 -1.220 1.00 0.00 H new ATOM 1522 N ILE A 102 0.177 2.331 -5.455 1.00 0.00 N ATOM 1523 CA ILE A 102 1.331 1.568 -5.011 1.00 0.00 C ATOM 1524 C ILE A 102 2.483 2.527 -4.703 1.00 0.00 C ATOM 1525 O ILE A 102 2.740 3.458 -5.465 1.00 0.00 O ATOM 1526 CB ILE A 102 1.686 0.488 -6.035 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.574 -0.558 -6.136 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.042 -0.145 -5.716 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.536 -1.184 -7.532 1.00 0.00 C ATOM 0 H ILE A 102 0.191 2.591 -6.441 1.00 0.00 H new ATOM 0 HA ILE A 102 1.103 1.036 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 102 1.774 0.960 -7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.732 -1.336 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.387 -0.095 -5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.271 -0.909 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.816 0.623 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.007 -0.600 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.263 -1.924 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.353 -0.407 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.491 -1.667 -7.740 1.00 0.00 H new ATOM 1541 N THR A 103 3.146 2.266 -3.586 1.00 0.00 N ATOM 1542 CA THR A 103 4.264 3.094 -3.169 1.00 0.00 C ATOM 1543 C THR A 103 5.296 2.255 -2.413 1.00 0.00 C ATOM 1544 O THR A 103 4.958 1.227 -1.828 1.00 0.00 O ATOM 1545 CB THR A 103 3.709 4.259 -2.347 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.648 4.773 -3.146 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.695 5.424 -2.242 1.00 0.00 C ATOM 0 H THR A 103 2.930 1.493 -2.957 1.00 0.00 H new ATOM 0 HA THR A 103 4.793 3.506 -4.028 1.00 0.00 H new ATOM 0 HB THR A 103 3.454 3.908 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.039 5.296 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.252 6.224 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.612 5.082 -1.762 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.925 5.797 -3.240 1.00 0.00 H new ATOM 1555 N ALA A 104 6.535 2.723 -2.451 1.00 0.00 N ATOM 1556 CA ALA A 104 7.619 2.029 -1.778 1.00 0.00 C ATOM 1557 C ALA A 104 8.012 2.804 -0.519 1.00 0.00 C ATOM 1558 O ALA A 104 7.698 3.987 -0.391 1.00 0.00 O ATOM 1559 CB ALA A 104 8.792 1.853 -2.744 1.00 0.00 C ATOM 0 H ALA A 104 6.812 3.575 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 104 7.301 1.034 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.605 1.332 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.469 1.270 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.139 2.831 -3.077 1.00 0.00 H new ATOM 1565 N GLN A 105 8.692 2.107 0.379 1.00 0.00 N ATOM 1566 CA GLN A 105 9.131 2.716 1.623 1.00 0.00 C ATOM 1567 C GLN A 105 10.644 2.556 1.788 1.00 0.00 C ATOM 1568 O GLN A 105 11.156 1.438 1.801 1.00 0.00 O ATOM 1569 CB GLN A 105 8.383 2.121 2.818 1.00 0.00 C ATOM 1570 CG GLN A 105 8.892 2.714 4.134 1.00 0.00 C ATOM 1571 CD GLN A 105 8.512 1.825 5.319 1.00 0.00 C ATOM 1572 OE1 GLN A 105 8.549 0.607 5.252 1.00 0.00 O ATOM 1573 NE2 GLN A 105 8.145 2.499 6.406 1.00 0.00 N ATOM 0 H GLN A 105 8.950 1.126 0.270 1.00 0.00 H new ATOM 0 HA GLN A 105 8.900 3.781 1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.315 2.315 2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.511 1.039 2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 105 9.975 2.826 4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.474 3.711 4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.136 3.519 6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.873 1.996 7.250 1.00 0.00 H new ATOM 1582 N THR A 106 11.317 3.691 1.910 1.00 0.00 N ATOM 1583 CA THR A 106 12.761 3.691 2.074 1.00 0.00 C ATOM 1584 C THR A 106 13.150 4.390 3.378 1.00 0.00 C ATOM 1585 O THR A 106 12.292 4.683 4.209 1.00 0.00 O ATOM 1586 CB THR A 106 13.377 4.335 0.831 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.453 5.361 0.477 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.373 3.398 -0.378 1.00 0.00 C ATOM 0 H THR A 106 10.889 4.617 1.899 1.00 0.00 H new ATOM 0 HA THR A 106 13.150 2.676 2.159 1.00 0.00 H new ATOM 0 HB THR A 106 14.400 4.640 1.051 1.00 0.00 H new ATOM 0 HG1 THR A 106 12.429 6.038 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.821 3.905 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.948 2.501 -0.145 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.347 3.119 -0.619 1.00 0.00 H new ATOM 1596 N ARG A 107 14.444 4.637 3.516 1.00 0.00 N ATOM 1597 CA ARG A 107 14.957 5.297 4.704 1.00 0.00 C ATOM 1598 C ARG A 107 14.650 6.795 4.654 1.00 0.00 C ATOM 1599 O ARG A 107 15.003 7.536 5.571 1.00 0.00 O ATOM 1600 CB ARG A 107 16.469 5.097 4.836 1.00 0.00 C ATOM 1601 CG ARG A 107 17.209 5.718 3.649 1.00 0.00 C ATOM 1602 CD ARG A 107 18.512 4.968 3.363 1.00 0.00 C ATOM 1603 NE ARG A 107 19.293 5.686 2.331 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.423 5.218 1.783 1.00 0.00 C ATOM 1605 NH1 ARG A 107 20.910 4.030 2.165 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.065 5.939 0.854 1.00 0.00 N ATOM 0 H ARG A 107 15.153 4.392 2.825 1.00 0.00 H new ATOM 0 HA ARG A 107 14.466 4.851 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.820 5.548 5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.695 4.032 4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.571 5.696 2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.426 6.765 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.098 4.879 4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 107 18.292 3.955 3.025 1.00 0.00 H new ATOM 0 HE ARG A 107 18.950 6.594 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 107 20.421 3.482 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 107 21.770 3.673 1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.694 6.844 0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.925 5.583 0.437 1.00 0.00 H new ATOM 1620 N LYS A 108 13.996 7.197 3.574 1.00 0.00 N ATOM 1621 CA LYS A 108 13.638 8.593 3.393 1.00 0.00 C ATOM 1622 C LYS A 108 12.170 8.792 3.775 1.00 0.00 C ATOM 1623 O LYS A 108 11.837 9.714 4.518 1.00 0.00 O ATOM 1624 CB LYS A 108 13.971 9.052 1.972 1.00 0.00 C ATOM 1625 CG LYS A 108 15.419 9.538 1.878 1.00 0.00 C ATOM 1626 CD LYS A 108 16.371 8.374 1.598 1.00 0.00 C ATOM 1627 CE LYS A 108 15.887 7.544 0.407 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.019 6.820 -0.214 1.00 0.00 N ATOM 0 H LYS A 108 13.705 6.580 2.816 1.00 0.00 H new ATOM 0 HA LYS A 108 14.229 9.226 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.814 8.230 1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.294 9.854 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.506 10.282 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.703 10.029 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.371 8.758 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.446 7.740 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.129 6.833 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.416 8.195 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.859 6.739 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.902 7.342 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.092 5.869 0.201 1.00 0.00 H new ATOM 1642 N GLY A 109 11.330 7.913 3.249 1.00 0.00 N ATOM 1643 CA GLY A 109 9.905 7.980 3.525 1.00 0.00 C ATOM 1644 C GLY A 109 9.106 7.198 2.480 1.00 0.00 C ATOM 1645 O GLY A 109 9.283 5.989 2.336 1.00 0.00 O ATOM 0 H GLY A 109 11.609 7.150 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.704 7.577 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.581 9.021 3.532 1.00 0.00 H new ATOM 1649 N TRP A 110 8.245 7.920 1.778 1.00 0.00 N ATOM 1650 CA TRP A 110 7.419 7.309 0.751 1.00 0.00 C ATOM 1651 C TRP A 110 7.539 8.155 -0.518 1.00 0.00 C ATOM 1652 O TRP A 110 7.011 9.265 -0.580 1.00 0.00 O ATOM 1653 CB TRP A 110 5.975 7.152 1.231 1.00 0.00 C ATOM 1654 CG TRP A 110 5.796 6.112 2.339 1.00 0.00 C ATOM 1655 CD1 TRP A 110 5.854 6.301 3.664 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.527 4.705 2.162 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.642 5.123 4.352 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.437 4.122 3.410 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.364 3.950 0.987 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.182 2.759 3.602 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.110 2.590 1.196 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.017 1.987 2.446 1.00 0.00 C ATOM 0 H TRP A 110 8.102 8.922 1.900 1.00 0.00 H new ATOM 0 HA TRP A 110 7.763 6.299 0.529 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.616 8.116 1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.349 6.875 0.383 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.043 7.255 4.135 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.637 5.008 5.366 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.430 4.386 0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.116 2.326 4.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.977 1.965 0.326 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.818 0.928 2.524 1.00 0.00 H new ATOM 1673 N GLY A 111 8.236 7.600 -1.498 1.00 0.00 N ATOM 1674 CA GLY A 111 8.432 8.290 -2.762 1.00 0.00 C ATOM 1675 C GLY A 111 7.140 8.312 -3.581 1.00 0.00 C ATOM 1676 O GLY A 111 6.051 8.144 -3.033 1.00 0.00 O ATOM 0 H GLY A 111 8.672 6.680 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.766 9.311 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.219 7.796 -3.332 1.00 0.00 H new ATOM 1680 N GLU A 112 7.303 8.520 -4.879 1.00 0.00 N ATOM 1681 CA GLU A 112 6.163 8.566 -5.778 1.00 0.00 C ATOM 1682 C GLU A 112 5.277 7.335 -5.576 1.00 0.00 C ATOM 1683 O GLU A 112 5.682 6.375 -4.922 1.00 0.00 O ATOM 1684 CB GLU A 112 6.618 8.681 -7.235 1.00 0.00 C ATOM 1685 CG GLU A 112 6.109 9.978 -7.867 1.00 0.00 C ATOM 1686 CD GLU A 112 7.238 11.002 -8.003 1.00 0.00 C ATOM 1687 OE1 GLU A 112 8.196 10.695 -8.745 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.118 12.068 -7.362 1.00 0.00 O ATOM 0 H GLU A 112 8.208 8.659 -5.330 1.00 0.00 H new ATOM 0 HA GLU A 112 5.576 9.454 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.707 8.651 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.250 7.827 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.685 9.766 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.308 10.394 -7.257 1.00 0.00 H new ATOM 1695 N ALA A 113 4.085 7.402 -6.151 1.00 0.00 N ATOM 1696 CA ALA A 113 3.139 6.305 -6.042 1.00 0.00 C ATOM 1697 C ALA A 113 2.462 6.084 -7.397 1.00 0.00 C ATOM 1698 O ALA A 113 2.213 7.038 -8.133 1.00 0.00 O ATOM 1699 CB ALA A 113 2.133 6.607 -4.930 1.00 0.00 C ATOM 0 H ALA A 113 3.753 8.199 -6.694 1.00 0.00 H new ATOM 0 HA ALA A 113 3.652 5.381 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.423 5.784 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.661 6.726 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.597 7.527 -5.164 1.00 0.00 H new ATOM 1705 N ALA A 114 2.184 4.821 -7.685 1.00 0.00 N ATOM 1706 CA ALA A 114 1.541 4.464 -8.938 1.00 0.00 C ATOM 1707 C ALA A 114 0.044 4.262 -8.698 1.00 0.00 C ATOM 1708 O ALA A 114 -0.353 3.392 -7.924 1.00 0.00 O ATOM 1709 CB ALA A 114 2.212 3.217 -9.518 1.00 0.00 C ATOM 0 H ALA A 114 2.392 4.033 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 114 1.653 5.265 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.730 2.948 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.268 3.422 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.117 2.391 -8.813 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.747 5.081 -9.376 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.192 5.004 -9.247 1.00 0.00 C ATOM 1717 C GLU A 115 -2.787 4.203 -10.407 1.00 0.00 C ATOM 1718 O GLU A 115 -2.620 4.571 -11.569 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.811 6.401 -9.170 1.00 0.00 C ATOM 1720 CG GLU A 115 -3.222 6.741 -7.736 1.00 0.00 C ATOM 1721 CD GLU A 115 -4.379 7.742 -7.720 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -5.140 7.745 -8.711 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -4.476 8.481 -6.716 1.00 0.00 O ATOM 0 H GLU A 115 -0.414 5.801 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.427 4.487 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.096 7.140 -9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.682 6.453 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.516 5.831 -7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.370 7.156 -7.198 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.468 3.124 -10.052 1.00 0.00 N ATOM 1731 CA ALA A 116 -4.089 2.269 -11.049 1.00 0.00 C ATOM 1732 C ALA A 116 -5.528 1.963 -10.629 1.00 0.00 C ATOM 1733 O ALA A 116 -5.765 1.460 -9.531 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.252 1.000 -11.226 1.00 0.00 C ATOM 0 H ALA A 116 -3.604 2.822 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.128 2.773 -12.015 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.718 0.358 -11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.248 1.269 -11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.194 0.467 -10.277 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.452 2.281 -11.524 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.861 2.047 -11.259 1.00 0.00 C ATOM 1742 C LEU A 117 -8.250 0.661 -11.777 1.00 0.00 C ATOM 1743 O LEU A 117 -7.786 0.237 -12.835 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.710 3.180 -11.839 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.737 4.479 -11.032 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.729 5.699 -11.956 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.922 4.500 -10.065 1.00 0.00 C ATOM 0 H LEU A 117 -6.252 2.699 -12.433 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.053 2.052 -10.186 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.344 3.405 -12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.734 2.821 -11.947 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.830 4.525 -10.430 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.749 6.609 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.827 5.686 -12.567 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.606 5.671 -12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.917 5.434 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.852 4.419 -10.628 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.842 3.661 -9.373 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.096 -0.008 -11.007 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.552 -1.338 -11.375 1.00 0.00 C ATOM 1761 C VAL A 118 -11.000 -1.521 -10.916 1.00 0.00 C ATOM 1762 O VAL A 118 -11.314 -1.316 -9.744 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.604 -2.393 -10.801 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.537 -2.298 -9.275 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.015 -3.798 -11.245 1.00 0.00 C ATOM 0 H VAL A 118 -9.478 0.346 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.537 -1.462 -12.458 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.606 -2.196 -11.193 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.856 -3.059 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.176 -1.311 -8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.531 -2.457 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.325 -4.529 -10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.026 -4.009 -10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.987 -3.858 -12.333 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.843 -1.904 -11.863 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.250 -2.118 -11.570 1.00 0.00 C ATOM 1777 C VAL A 119 -13.431 -3.497 -10.934 1.00 0.00 C ATOM 1778 O VAL A 119 -12.690 -4.429 -11.243 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.083 -1.930 -12.840 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.409 -2.687 -12.742 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.319 -0.446 -13.127 1.00 0.00 C ATOM 0 H VAL A 119 -11.579 -2.072 -12.834 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.607 -1.381 -10.851 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.520 -2.347 -13.675 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.982 -2.537 -13.657 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.212 -3.751 -12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.979 -2.313 -11.891 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.913 -0.341 -14.035 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.851 0.006 -12.290 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.361 0.056 -13.261 1.00 0.00 H new ATOM 1791 N THR A 120 -14.421 -3.585 -10.058 1.00 0.00 N ATOM 1792 CA THR A 120 -14.709 -4.835 -9.377 1.00 0.00 C ATOM 1793 C THR A 120 -15.744 -5.644 -10.161 1.00 0.00 C ATOM 1794 O THR A 120 -16.936 -5.341 -10.120 1.00 0.00 O ATOM 1795 CB THR A 120 -15.151 -4.505 -7.949 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.994 -3.366 -8.101 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.996 -4.000 -7.081 1.00 0.00 C ATOM 0 H THR A 120 -15.034 -2.810 -9.804 1.00 0.00 H new ATOM 0 HA THR A 120 -13.823 -5.467 -9.321 1.00 0.00 H new ATOM 0 HB THR A 120 -15.589 -5.391 -7.491 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.140 -2.948 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.363 -3.780 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.222 -4.765 -7.024 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.579 -3.094 -7.521 1.00 0.00 H new ATOM 1805 N THR A 121 -15.252 -6.659 -10.857 1.00 0.00 N ATOM 1806 CA THR A 121 -16.119 -7.514 -11.649 1.00 0.00 C ATOM 1807 C THR A 121 -15.311 -8.641 -12.295 1.00 0.00 C ATOM 1808 O THR A 121 -14.082 -8.623 -12.266 1.00 0.00 O ATOM 1809 CB THR A 121 -16.852 -6.633 -12.663 1.00 0.00 C ATOM 1810 OG1 THR A 121 -17.531 -7.563 -13.503 1.00 0.00 O ATOM 1811 CG2 THR A 121 -15.894 -5.908 -13.610 1.00 0.00 C ATOM 0 H THR A 121 -14.263 -6.908 -10.888 1.00 0.00 H new ATOM 0 HA THR A 121 -16.865 -8.008 -11.026 1.00 0.00 H new ATOM 0 HB THR A 121 -17.462 -5.901 -12.134 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.034 -7.077 -14.189 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.466 -5.297 -14.309 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.225 -5.269 -13.033 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.307 -6.640 -14.165 1.00 0.00 H new