USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=15 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 Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 43 SER OG : rot -179:sc= -1.09 USER MOD Single : A 49 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.11) USER MOD Single : A 55 ASN : amide:sc= -11.4! C(o=-11!,f=-19!) USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.34) USER MOD Single : A 64 THR OG1 : rot -5:sc= -1.79! USER MOD Single : A 65 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 21:sc= 1.09 USER MOD Single : A 98 TYR OH : rot 180:sc= 0.954 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.82 USER MOD Single : A 105 GLN : amide:sc= -0.613 K(o=-0.61,f=-2.9!) USER MOD Single : A 106 THR OG1 : rot 138:sc= -1.32 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 166:sc= 1.18 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 13.920 9.666 -1.728 1.00 0.00 N ATOM 351 CA VAL A 27 12.890 8.654 -1.892 1.00 0.00 C ATOM 352 C VAL A 27 12.992 8.051 -3.295 1.00 0.00 C ATOM 353 O VAL A 27 13.569 8.658 -4.195 1.00 0.00 O ATOM 354 CB VAL A 27 11.514 9.256 -1.599 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.320 9.475 -0.098 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.310 10.559 -2.374 1.00 0.00 C ATOM 0 HA VAL A 27 13.034 7.843 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 27 10.759 8.545 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.334 9.904 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.402 8.521 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.086 10.157 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.325 10.966 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.075 11.279 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.385 10.362 -3.443 1.00 0.00 H new ATOM 366 N PRO A 28 12.408 6.831 -3.440 1.00 0.00 N ATOM 367 CA PRO A 28 12.428 6.139 -4.717 1.00 0.00 C ATOM 368 C PRO A 28 11.436 6.769 -5.697 1.00 0.00 C ATOM 369 O PRO A 28 10.831 7.797 -5.399 1.00 0.00 O ATOM 370 CB PRO A 28 12.098 4.693 -4.386 1.00 0.00 C ATOM 371 CG PRO A 28 11.452 4.717 -3.010 1.00 0.00 C ATOM 372 CD PRO A 28 11.716 6.082 -2.395 1.00 0.00 C ATOM 0 HA PRO A 28 13.393 6.209 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.422 4.267 -5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.998 4.078 -4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.380 4.534 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.865 3.928 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.787 6.572 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.327 6.000 -1.496 1.00 0.00 H new ATOM 380 N GLY A 29 11.301 6.125 -6.848 1.00 0.00 N ATOM 381 CA GLY A 29 10.393 6.610 -7.874 1.00 0.00 C ATOM 382 C GLY A 29 9.074 5.835 -7.848 1.00 0.00 C ATOM 383 O GLY A 29 8.868 4.981 -6.988 1.00 0.00 O ATOM 0 H GLY A 29 11.805 5.272 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.199 7.671 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.859 6.510 -8.854 1.00 0.00 H new ATOM 387 N PRO A 30 8.191 6.171 -8.827 1.00 0.00 N ATOM 388 CA PRO A 30 6.898 5.517 -8.925 1.00 0.00 C ATOM 389 C PRO A 30 7.040 4.102 -9.490 1.00 0.00 C ATOM 390 O PRO A 30 7.807 3.877 -10.425 1.00 0.00 O ATOM 391 CB PRO A 30 6.062 6.428 -9.809 1.00 0.00 C ATOM 392 CG PRO A 30 7.052 7.313 -10.549 1.00 0.00 C ATOM 393 CD PRO A 30 8.401 7.178 -9.863 1.00 0.00 C ATOM 0 HA PRO A 30 6.422 5.380 -7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.458 5.848 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.373 7.026 -9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.124 7.014 -11.595 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.720 8.351 -10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.174 6.867 -10.566 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.724 8.127 -9.434 1.00 0.00 H new ATOM 401 N PRO A 31 6.268 3.161 -8.883 1.00 0.00 N ATOM 402 CA PRO A 31 6.301 1.774 -9.315 1.00 0.00 C ATOM 403 C PRO A 31 5.545 1.593 -10.633 1.00 0.00 C ATOM 404 O PRO A 31 4.317 1.655 -10.663 1.00 0.00 O ATOM 405 CB PRO A 31 5.688 0.989 -8.167 1.00 0.00 C ATOM 406 CG PRO A 31 4.915 2.001 -7.337 1.00 0.00 C ATOM 407 CD PRO A 31 5.348 3.391 -7.773 1.00 0.00 C ATOM 0 HA PRO A 31 7.311 1.423 -9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.030 0.204 -8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.460 0.502 -7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.842 1.873 -7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.114 1.855 -6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.494 3.992 -8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.836 3.927 -6.959 1.00 0.00 H new ATOM 415 N MET A 32 6.311 1.371 -11.692 1.00 0.00 N ATOM 416 CA MET A 32 5.729 1.181 -13.009 1.00 0.00 C ATOM 417 C MET A 32 5.431 -0.298 -13.269 1.00 0.00 C ATOM 418 O MET A 32 5.969 -1.171 -12.589 1.00 0.00 O ATOM 419 CB MET A 32 6.696 1.701 -14.075 1.00 0.00 C ATOM 420 CG MET A 32 8.058 1.012 -13.963 1.00 0.00 C ATOM 421 SD MET A 32 9.002 1.280 -15.454 1.00 0.00 S ATOM 422 CE MET A 32 10.588 0.648 -14.934 1.00 0.00 C ATOM 0 H MET A 32 7.329 1.319 -11.664 1.00 0.00 H new ATOM 0 HA MET A 32 4.792 1.735 -13.054 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.277 1.528 -15.066 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.819 2.778 -13.965 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.602 1.402 -13.103 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.922 -0.056 -13.796 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.302 0.740 -15.752 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.944 1.219 -14.076 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.488 -0.401 -14.656 1.00 0.00 H new ATOM 432 N GLY A 33 4.576 -0.532 -14.253 1.00 0.00 N ATOM 433 CA GLY A 33 4.200 -1.890 -14.610 1.00 0.00 C ATOM 434 C GLY A 33 2.995 -2.358 -13.792 1.00 0.00 C ATOM 435 O GLY A 33 2.986 -3.475 -13.276 1.00 0.00 O ATOM 0 H GLY A 33 4.133 0.195 -14.814 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.963 -1.938 -15.673 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.042 -2.561 -14.440 1.00 0.00 H new ATOM 439 N ILE A 34 2.006 -1.481 -13.698 1.00 0.00 N ATOM 440 CA ILE A 34 0.799 -1.791 -12.952 1.00 0.00 C ATOM 441 C ILE A 34 -0.224 -2.435 -13.889 1.00 0.00 C ATOM 442 O ILE A 34 -0.720 -1.789 -14.811 1.00 0.00 O ATOM 443 CB ILE A 34 0.277 -0.544 -12.236 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.432 0.305 -11.700 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.717 -0.919 -11.135 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.258 -0.477 -10.677 1.00 0.00 C ATOM 0 H ILE A 34 2.016 -0.555 -14.127 1.00 0.00 H new ATOM 0 HA ILE A 34 1.013 -2.516 -12.167 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.261 0.066 -12.962 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.071 0.619 -12.525 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.039 1.211 -11.239 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.072 -0.014 -10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.562 -1.449 -11.573 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.225 -1.561 -10.404 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.072 0.149 -10.312 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.621 -0.768 -9.842 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.670 -1.370 -11.148 1.00 0.00 H new ATOM 458 N LEU A 35 -0.510 -3.701 -13.621 1.00 0.00 N ATOM 459 CA LEU A 35 -1.465 -4.440 -14.430 1.00 0.00 C ATOM 460 C LEU A 35 -2.389 -5.243 -13.512 1.00 0.00 C ATOM 461 O LEU A 35 -2.009 -5.596 -12.397 1.00 0.00 O ATOM 462 CB LEU A 35 -0.739 -5.293 -15.471 1.00 0.00 C ATOM 463 CG LEU A 35 0.128 -4.531 -16.476 1.00 0.00 C ATOM 464 CD1 LEU A 35 0.970 -5.494 -17.315 1.00 0.00 C ATOM 465 CD2 LEU A 35 -0.726 -3.608 -17.348 1.00 0.00 C ATOM 0 H LEU A 35 -0.097 -4.234 -12.855 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.095 -3.755 -14.998 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.108 -6.011 -14.947 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.483 -5.867 -16.024 1.00 0.00 H new ATOM 0 HG LEU A 35 0.820 -3.899 -15.920 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.577 -4.927 -18.021 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.621 -6.073 -16.660 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.313 -6.170 -17.863 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.085 -3.078 -18.053 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.458 -4.201 -17.897 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.244 -2.887 -16.716 1.00 0.00 H new ATOM 477 N PHE A 36 -3.585 -5.510 -14.016 1.00 0.00 N ATOM 478 CA PHE A 36 -4.566 -6.266 -13.256 1.00 0.00 C ATOM 479 C PHE A 36 -4.916 -7.576 -13.964 1.00 0.00 C ATOM 480 O PHE A 36 -5.809 -7.610 -14.809 1.00 0.00 O ATOM 481 CB PHE A 36 -5.823 -5.399 -13.162 1.00 0.00 C ATOM 482 CG PHE A 36 -5.705 -4.236 -12.175 1.00 0.00 C ATOM 483 CD1 PHE A 36 -6.034 -4.418 -10.868 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.270 -3.021 -12.604 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.924 -3.338 -9.951 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.161 -1.942 -11.688 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.490 -2.123 -10.381 1.00 0.00 C ATOM 0 H PHE A 36 -3.897 -5.216 -14.942 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.166 -6.511 -12.272 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.052 -5.001 -14.151 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.664 -6.027 -12.868 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.379 -5.383 -10.527 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.007 -2.877 -13.642 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.185 -3.482 -8.913 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.817 -0.977 -12.029 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.407 -1.302 -9.684 1.00 0.00 H new ATOM 497 N PRO A 37 -4.176 -8.651 -13.582 1.00 0.00 N ATOM 498 CA PRO A 37 -4.399 -9.961 -14.170 1.00 0.00 C ATOM 499 C PRO A 37 -5.675 -10.600 -13.617 1.00 0.00 C ATOM 500 O PRO A 37 -6.534 -11.040 -14.380 1.00 0.00 O ATOM 501 CB PRO A 37 -3.146 -10.758 -13.844 1.00 0.00 C ATOM 502 CG PRO A 37 -2.473 -10.024 -12.695 1.00 0.00 C ATOM 503 CD PRO A 37 -3.110 -8.648 -12.584 1.00 0.00 C ATOM 0 HA PRO A 37 -4.557 -9.917 -15.248 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.396 -11.781 -13.561 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.486 -10.819 -14.709 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.596 -10.578 -11.764 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.401 -9.935 -12.874 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.505 -8.474 -11.583 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.385 -7.859 -12.782 1.00 0.00 H new ATOM 511 N GLU A 38 -5.758 -10.631 -12.295 1.00 0.00 N ATOM 512 CA GLU A 38 -6.914 -11.209 -11.632 1.00 0.00 C ATOM 513 C GLU A 38 -7.703 -10.122 -10.897 1.00 0.00 C ATOM 514 O GLU A 38 -7.196 -9.511 -9.958 1.00 0.00 O ATOM 515 CB GLU A 38 -6.495 -12.325 -10.673 1.00 0.00 C ATOM 516 CG GLU A 38 -7.688 -12.817 -9.850 1.00 0.00 C ATOM 517 CD GLU A 38 -7.238 -13.799 -8.766 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.270 -14.542 -9.039 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.871 -13.784 -7.689 1.00 0.00 O ATOM 0 H GLU A 38 -5.044 -10.265 -11.666 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.561 -11.650 -12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.071 -13.155 -11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.713 -11.962 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.192 -11.967 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.412 -13.300 -10.506 1.00 0.00 H new ATOM 526 N VAL A 39 -8.929 -9.916 -11.353 1.00 0.00 N ATOM 527 CA VAL A 39 -9.792 -8.914 -10.750 1.00 0.00 C ATOM 528 C VAL A 39 -11.226 -9.446 -10.699 1.00 0.00 C ATOM 529 O VAL A 39 -11.894 -9.542 -11.728 1.00 0.00 O ATOM 530 CB VAL A 39 -9.672 -7.593 -11.513 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.716 -6.584 -11.030 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.259 -7.019 -11.396 1.00 0.00 C ATOM 0 H VAL A 39 -9.346 -10.425 -12.132 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.483 -8.712 -9.724 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.865 -7.796 -12.566 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.609 -5.654 -11.588 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.715 -6.990 -11.189 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.569 -6.388 -9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.201 -6.080 -11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.025 -6.839 -10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.543 -7.728 -11.811 1.00 0.00 H new ATOM 542 N ARG A 40 -11.657 -9.779 -9.491 1.00 0.00 N ATOM 543 CA ARG A 40 -12.999 -10.299 -9.292 1.00 0.00 C ATOM 544 C ARG A 40 -13.923 -9.198 -8.769 1.00 0.00 C ATOM 545 O ARG A 40 -13.572 -8.019 -8.805 1.00 0.00 O ATOM 546 CB ARG A 40 -12.996 -11.466 -8.302 1.00 0.00 C ATOM 547 CG ARG A 40 -11.696 -12.266 -8.402 1.00 0.00 C ATOM 548 CD ARG A 40 -11.673 -13.404 -7.379 1.00 0.00 C ATOM 549 NE ARG A 40 -11.963 -14.692 -8.048 1.00 0.00 N ATOM 550 CZ ARG A 40 -12.308 -15.814 -7.402 1.00 0.00 C ATOM 551 NH1 ARG A 40 -12.409 -15.813 -6.066 1.00 0.00 N ATOM 552 NH2 ARG A 40 -12.553 -16.936 -8.091 1.00 0.00 N ATOM 0 H ARG A 40 -11.100 -9.699 -8.640 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.363 -10.656 -10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.117 -11.087 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.845 -12.119 -8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.592 -12.674 -9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.845 -11.606 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.698 -13.448 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.410 -13.217 -6.598 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.896 -14.728 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.223 -14.958 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.672 -16.667 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.477 -16.937 -9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.816 -17.790 -7.599 1.00 0.00 H new ATOM 566 N THR A 41 -15.086 -9.620 -8.296 1.00 0.00 N ATOM 567 CA THR A 41 -16.063 -8.684 -7.766 1.00 0.00 C ATOM 568 C THR A 41 -15.579 -8.104 -6.436 1.00 0.00 C ATOM 569 O THR A 41 -15.089 -6.977 -6.388 1.00 0.00 O ATOM 570 CB THR A 41 -17.405 -9.412 -7.659 1.00 0.00 C ATOM 571 OG1 THR A 41 -17.046 -10.773 -7.440 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.165 -9.436 -8.987 1.00 0.00 C ATOM 0 H THR A 41 -15.374 -10.598 -8.269 1.00 0.00 H new ATOM 0 HA THR A 41 -16.192 -7.829 -8.430 1.00 0.00 H new ATOM 0 HB THR A 41 -18.019 -8.931 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.858 -11.316 -7.357 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.110 -9.964 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.362 -8.414 -9.312 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.565 -9.947 -9.740 1.00 0.00 H new ATOM 580 N THR A 42 -15.734 -8.900 -5.388 1.00 0.00 N ATOM 581 CA THR A 42 -15.319 -8.479 -4.061 1.00 0.00 C ATOM 582 C THR A 42 -13.917 -9.006 -3.749 1.00 0.00 C ATOM 583 O THR A 42 -13.594 -9.276 -2.593 1.00 0.00 O ATOM 584 CB THR A 42 -16.380 -8.948 -3.063 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.407 -10.363 -3.224 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.790 -8.501 -3.455 1.00 0.00 C ATOM 0 H THR A 42 -16.141 -9.834 -5.431 1.00 0.00 H new ATOM 0 HA THR A 42 -15.247 -7.393 -3.995 1.00 0.00 H new ATOM 0 HB THR A 42 -16.140 -8.565 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 42 -17.068 -10.749 -2.612 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.505 -8.860 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.828 -7.413 -3.498 1.00 0.00 H new ATOM 0 HG23 THR A 42 -18.043 -8.912 -4.432 1.00 0.00 H new ATOM 594 N SER A 43 -13.121 -9.137 -4.800 1.00 0.00 N ATOM 595 CA SER A 43 -11.761 -9.626 -4.652 1.00 0.00 C ATOM 596 C SER A 43 -10.978 -9.395 -5.946 1.00 0.00 C ATOM 597 O SER A 43 -11.384 -9.856 -7.012 1.00 0.00 O ATOM 598 CB SER A 43 -11.747 -11.111 -4.282 1.00 0.00 C ATOM 599 OG SER A 43 -12.806 -11.828 -4.910 1.00 0.00 O ATOM 0 H SER A 43 -13.392 -8.913 -5.757 1.00 0.00 H new ATOM 0 HA SER A 43 -11.285 -9.072 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.791 -11.548 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.830 -11.216 -3.200 1.00 0.00 H new ATOM 0 HG SER A 43 -12.771 -12.769 -4.637 1.00 0.00 H new ATOM 605 N VAL A 44 -9.871 -8.680 -5.811 1.00 0.00 N ATOM 606 CA VAL A 44 -9.028 -8.382 -6.956 1.00 0.00 C ATOM 607 C VAL A 44 -7.571 -8.697 -6.608 1.00 0.00 C ATOM 608 O VAL A 44 -7.243 -8.926 -5.445 1.00 0.00 O ATOM 609 CB VAL A 44 -9.237 -6.931 -7.396 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.712 -6.537 -7.302 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.361 -5.979 -6.579 1.00 0.00 C ATOM 0 H VAL A 44 -9.538 -8.298 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.302 -9.008 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.935 -6.850 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.833 -5.502 -7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.304 -7.186 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.052 -6.642 -6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.529 -4.955 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.618 -6.064 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.312 -6.239 -6.720 1.00 0.00 H new ATOM 621 N ARG A 45 -6.737 -8.700 -7.638 1.00 0.00 N ATOM 622 CA ARG A 45 -5.324 -8.983 -7.455 1.00 0.00 C ATOM 623 C ARG A 45 -4.509 -8.372 -8.596 1.00 0.00 C ATOM 624 O ARG A 45 -4.523 -8.881 -9.716 1.00 0.00 O ATOM 625 CB ARG A 45 -5.067 -10.491 -7.404 1.00 0.00 C ATOM 626 CG ARG A 45 -3.575 -10.787 -7.241 1.00 0.00 C ATOM 627 CD ARG A 45 -3.180 -12.053 -8.005 1.00 0.00 C ATOM 628 NE ARG A 45 -3.202 -13.220 -7.095 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.200 -13.545 -6.266 1.00 0.00 C ATOM 630 NH1 ARG A 45 -1.092 -12.792 -6.227 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.307 -14.622 -5.477 1.00 0.00 N ATOM 0 H ARG A 45 -7.013 -8.511 -8.602 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.017 -8.541 -6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.621 -10.930 -6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.436 -10.958 -8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.991 -9.941 -7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.338 -10.907 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.867 -12.216 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.185 -11.934 -8.433 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.031 -13.814 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.011 -11.972 -6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.329 -13.039 -5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.151 -15.194 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.545 -14.870 -4.846 1.00 0.00 H new ATOM 645 N LEU A 46 -3.817 -7.289 -8.273 1.00 0.00 N ATOM 646 CA LEU A 46 -2.997 -6.604 -9.257 1.00 0.00 C ATOM 647 C LEU A 46 -1.521 -6.886 -8.970 1.00 0.00 C ATOM 648 O LEU A 46 -1.182 -7.436 -7.923 1.00 0.00 O ATOM 649 CB LEU A 46 -3.342 -5.113 -9.297 1.00 0.00 C ATOM 650 CG LEU A 46 -2.527 -4.211 -8.368 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.527 -2.766 -8.868 1.00 0.00 C ATOM 652 CD2 LEU A 46 -3.024 -4.318 -6.925 1.00 0.00 C ATOM 0 H LEU A 46 -3.808 -6.869 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.206 -6.983 -10.257 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.214 -4.758 -10.320 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.397 -4.998 -9.049 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.493 -4.555 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.941 -2.146 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.089 -2.726 -9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.551 -2.394 -8.906 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.428 -3.667 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.070 -4.015 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.929 -5.349 -6.583 1.00 0.00 H new ATOM 664 N ILE A 47 -0.682 -6.497 -9.919 1.00 0.00 N ATOM 665 CA ILE A 47 0.750 -6.701 -9.782 1.00 0.00 C ATOM 666 C ILE A 47 1.487 -5.438 -10.231 1.00 0.00 C ATOM 667 O ILE A 47 0.937 -4.625 -10.973 1.00 0.00 O ATOM 668 CB ILE A 47 1.185 -7.964 -10.527 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.345 -7.690 -12.024 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.221 -9.121 -10.256 1.00 0.00 C ATOM 671 CD1 ILE A 47 -0.004 -7.364 -12.668 1.00 0.00 C ATOM 0 H ILE A 47 -0.967 -6.042 -10.786 1.00 0.00 H new ATOM 0 HA ILE A 47 1.012 -6.869 -8.737 1.00 0.00 H new ATOM 0 HB ILE A 47 2.162 -8.264 -10.148 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.034 -6.859 -12.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.784 -8.560 -12.512 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.554 -10.006 -10.798 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.201 -9.335 -9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.780 -8.846 -10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.137 -7.173 -13.732 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.683 -8.207 -12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.429 -6.479 -12.194 1.00 0.00 H new ATOM 683 N TRP A 48 2.720 -5.312 -9.762 1.00 0.00 N ATOM 684 CA TRP A 48 3.537 -4.161 -10.107 1.00 0.00 C ATOM 685 C TRP A 48 5.001 -4.607 -10.120 1.00 0.00 C ATOM 686 O TRP A 48 5.306 -5.755 -9.799 1.00 0.00 O ATOM 687 CB TRP A 48 3.276 -2.997 -9.149 1.00 0.00 C ATOM 688 CG TRP A 48 3.757 -3.247 -7.719 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.926 -2.893 -7.167 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.029 -3.925 -6.673 1.00 0.00 C ATOM 691 NE1 TRP A 48 5.004 -3.292 -5.848 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.814 -3.939 -5.538 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.749 -4.507 -6.686 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.408 -4.523 -4.332 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.358 -5.086 -5.473 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.137 -5.109 -4.321 1.00 0.00 C ATOM 0 H TRP A 48 3.173 -5.988 -9.146 1.00 0.00 H new ATOM 0 HA TRP A 48 3.278 -3.787 -11.098 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.768 -2.105 -9.536 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.206 -2.789 -9.130 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.709 -2.362 -7.689 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.791 -3.140 -5.217 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.118 -4.507 -7.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.041 -4.521 -3.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.383 -5.547 -5.429 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.763 -5.577 -3.422 1.00 0.00 H new ATOM 707 N GLN A 49 5.867 -3.677 -10.494 1.00 0.00 N ATOM 708 CA GLN A 49 7.291 -3.960 -10.553 1.00 0.00 C ATOM 709 C GLN A 49 8.078 -2.879 -9.811 1.00 0.00 C ATOM 710 O GLN A 49 7.556 -1.797 -9.546 1.00 0.00 O ATOM 711 CB GLN A 49 7.765 -4.087 -12.002 1.00 0.00 C ATOM 712 CG GLN A 49 7.606 -5.523 -12.507 1.00 0.00 C ATOM 713 CD GLN A 49 7.340 -5.547 -14.014 1.00 0.00 C ATOM 714 OE1 GLN A 49 6.372 -4.993 -14.509 1.00 0.00 O ATOM 715 NE2 GLN A 49 8.251 -6.219 -14.713 1.00 0.00 N ATOM 0 H GLN A 49 5.610 -2.726 -10.759 1.00 0.00 H new ATOM 0 HA GLN A 49 7.473 -4.916 -10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.193 -3.409 -12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.810 -3.786 -12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.508 -6.093 -12.284 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.784 -6.009 -11.981 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.037 -6.659 -14.235 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.163 -6.294 -15.726 1.00 0.00 H new ATOM 724 N PRO A 50 9.356 -3.217 -9.489 1.00 0.00 N ATOM 725 CA PRO A 50 10.220 -2.287 -8.783 1.00 0.00 C ATOM 726 C PRO A 50 10.712 -1.179 -9.716 1.00 0.00 C ATOM 727 O PRO A 50 10.855 -1.393 -10.919 1.00 0.00 O ATOM 728 CB PRO A 50 11.349 -3.142 -8.229 1.00 0.00 C ATOM 729 CG PRO A 50 11.325 -4.433 -9.032 1.00 0.00 C ATOM 730 CD PRO A 50 10.008 -4.488 -9.787 1.00 0.00 C ATOM 0 HA PRO A 50 9.704 -1.762 -7.979 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.309 -2.636 -8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.205 -3.340 -7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.165 -4.466 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.423 -5.295 -8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.170 -4.608 -10.858 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.399 -5.331 -9.460 1.00 0.00 H new ATOM 738 N PRO A 51 10.965 0.013 -9.111 1.00 0.00 N ATOM 739 CA PRO A 51 11.438 1.155 -9.875 1.00 0.00 C ATOM 740 C PRO A 51 12.913 0.992 -10.247 1.00 0.00 C ATOM 741 O PRO A 51 13.777 0.952 -9.372 1.00 0.00 O ATOM 742 CB PRO A 51 11.179 2.358 -8.983 1.00 0.00 C ATOM 743 CG PRO A 51 11.003 1.806 -7.578 1.00 0.00 C ATOM 744 CD PRO A 51 10.807 0.303 -7.689 1.00 0.00 C ATOM 0 HA PRO A 51 10.924 1.266 -10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.011 3.061 -9.025 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.288 2.898 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.876 2.033 -6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.144 2.268 -7.091 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.541 -0.237 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.822 0.005 -7.331 1.00 0.00 H new ATOM 752 N ALA A 52 13.156 0.903 -11.546 1.00 0.00 N ATOM 753 CA ALA A 52 14.511 0.746 -12.045 1.00 0.00 C ATOM 754 C ALA A 52 15.448 1.667 -11.261 1.00 0.00 C ATOM 755 O ALA A 52 16.631 1.367 -11.104 1.00 0.00 O ATOM 756 CB ALA A 52 14.538 1.029 -13.549 1.00 0.00 C ATOM 0 H ALA A 52 12.437 0.937 -12.269 1.00 0.00 H new ATOM 0 HA ALA A 52 14.857 -0.277 -11.900 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.555 0.911 -13.923 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.879 0.329 -14.063 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.199 2.049 -13.734 1.00 0.00 H new ATOM 762 N ALA A 53 14.885 2.770 -10.790 1.00 0.00 N ATOM 763 CA ALA A 53 15.655 3.736 -10.027 1.00 0.00 C ATOM 764 C ALA A 53 15.088 3.828 -8.609 1.00 0.00 C ATOM 765 O ALA A 53 14.255 4.687 -8.323 1.00 0.00 O ATOM 766 CB ALA A 53 15.641 5.085 -10.749 1.00 0.00 C ATOM 0 H ALA A 53 13.904 3.016 -10.922 1.00 0.00 H new ATOM 0 HA ALA A 53 16.695 3.420 -9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.219 5.810 -10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.081 4.972 -11.740 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.613 5.435 -10.846 1.00 0.00 H new ATOM 772 N PRO A 54 15.575 2.907 -7.734 1.00 0.00 N ATOM 773 CA PRO A 54 15.126 2.876 -6.353 1.00 0.00 C ATOM 774 C PRO A 54 15.748 4.019 -5.548 1.00 0.00 C ATOM 775 O PRO A 54 15.121 4.553 -4.635 1.00 0.00 O ATOM 776 CB PRO A 54 15.527 1.502 -5.840 1.00 0.00 C ATOM 777 CG PRO A 54 16.590 0.993 -6.799 1.00 0.00 C ATOM 778 CD PRO A 54 16.563 1.875 -8.037 1.00 0.00 C ATOM 0 HA PRO A 54 14.050 3.025 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.915 1.563 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.670 0.829 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.573 1.024 -6.330 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.397 -0.046 -7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.543 2.310 -8.235 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.282 1.306 -8.923 1.00 0.00 H new ATOM 786 N ASN A 55 16.974 4.362 -5.917 1.00 0.00 N ATOM 787 CA ASN A 55 17.687 5.432 -5.241 1.00 0.00 C ATOM 788 C ASN A 55 17.424 5.343 -3.737 1.00 0.00 C ATOM 789 O ASN A 55 17.189 6.359 -3.083 1.00 0.00 O ATOM 790 CB ASN A 55 17.210 6.803 -5.725 1.00 0.00 C ATOM 791 CG ASN A 55 15.705 6.967 -5.510 1.00 0.00 C ATOM 792 OD1 ASN A 55 15.202 6.924 -4.399 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.015 7.157 -6.631 1.00 0.00 N ATOM 0 H ASN A 55 17.491 3.917 -6.675 1.00 0.00 H new ATOM 0 HA ASN A 55 18.749 5.322 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 55 17.745 7.588 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 55 17.445 6.921 -6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 55 14.003 7.277 -6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.498 7.182 -7.529 1.00 0.00 H new ATOM 800 N GLY A 56 17.472 4.120 -3.231 1.00 0.00 N ATOM 801 CA GLY A 56 17.242 3.886 -1.815 1.00 0.00 C ATOM 802 C GLY A 56 16.706 2.473 -1.573 1.00 0.00 C ATOM 803 O GLY A 56 15.688 2.085 -2.144 1.00 0.00 O ATOM 0 H GLY A 56 17.667 3.280 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.172 4.025 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.532 4.619 -1.432 1.00 0.00 H new ATOM 807 N ILE A 57 17.416 1.743 -0.726 1.00 0.00 N ATOM 808 CA ILE A 57 17.024 0.381 -0.401 1.00 0.00 C ATOM 809 C ILE A 57 15.565 0.371 0.057 1.00 0.00 C ATOM 810 O ILE A 57 15.209 1.045 1.023 1.00 0.00 O ATOM 811 CB ILE A 57 17.993 -0.227 0.615 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.233 -0.792 -0.080 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.292 -1.277 1.479 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.718 0.148 -1.186 1.00 0.00 C ATOM 0 H ILE A 57 18.260 2.068 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 57 17.085 -0.255 -1.284 1.00 0.00 H new ATOM 0 HB ILE A 57 18.331 0.566 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.028 -0.940 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.003 -1.770 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.002 -1.694 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.466 -0.812 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.907 -2.074 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.601 -0.277 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.929 0.275 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.970 1.117 -0.755 1.00 0.00 H new ATOM 826 N ILE A 58 14.759 -0.401 -0.657 1.00 0.00 N ATOM 827 CA ILE A 58 13.346 -0.508 -0.335 1.00 0.00 C ATOM 828 C ILE A 58 13.182 -1.296 0.967 1.00 0.00 C ATOM 829 O ILE A 58 13.789 -2.352 1.138 1.00 0.00 O ATOM 830 CB ILE A 58 12.571 -1.101 -1.514 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.903 -0.364 -2.813 1.00 0.00 C ATOM 832 CG2 ILE A 58 11.068 -1.115 -1.230 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.290 1.038 -2.820 1.00 0.00 C ATOM 0 H ILE A 58 15.057 -0.958 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 58 12.918 0.480 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 58 12.883 -2.137 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.984 -0.292 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.528 -0.933 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.540 -1.541 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.871 -1.718 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.720 -0.096 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.541 1.540 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.207 0.962 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.685 1.612 -1.982 1.00 0.00 H new ATOM 845 N LEU A 59 12.358 -0.751 1.850 1.00 0.00 N ATOM 846 CA LEU A 59 12.107 -1.390 3.131 1.00 0.00 C ATOM 847 C LEU A 59 10.723 -2.041 3.108 1.00 0.00 C ATOM 848 O LEU A 59 10.449 -2.953 3.887 1.00 0.00 O ATOM 849 CB LEU A 59 12.298 -0.391 4.274 1.00 0.00 C ATOM 850 CG LEU A 59 13.578 0.445 4.228 1.00 0.00 C ATOM 851 CD1 LEU A 59 13.589 1.494 5.342 1.00 0.00 C ATOM 852 CD2 LEU A 59 14.819 -0.449 4.270 1.00 0.00 C ATOM 0 H LEU A 59 11.856 0.125 1.704 1.00 0.00 H new ATOM 0 HA LEU A 59 12.831 -2.185 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.445 0.287 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.280 -0.939 5.216 1.00 0.00 H new ATOM 0 HG LEU A 59 13.600 0.982 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.510 2.074 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.733 2.159 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.531 0.997 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.715 0.171 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.816 -1.033 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.811 -1.123 3.413 1.00 0.00 H new ATOM 864 N ALA A 60 9.886 -1.548 2.207 1.00 0.00 N ATOM 865 CA ALA A 60 8.537 -2.070 2.073 1.00 0.00 C ATOM 866 C ALA A 60 7.768 -1.229 1.053 1.00 0.00 C ATOM 867 O ALA A 60 8.356 -0.406 0.352 1.00 0.00 O ATOM 868 CB ALA A 60 7.858 -2.089 3.444 1.00 0.00 C ATOM 0 H ALA A 60 10.116 -0.792 1.562 1.00 0.00 H new ATOM 0 HA ALA A 60 8.558 -3.096 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.846 -2.481 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.427 -2.724 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.817 -1.076 3.844 1.00 0.00 H new ATOM 874 N TYR A 61 6.465 -1.464 1.001 1.00 0.00 N ATOM 875 CA TYR A 61 5.610 -0.738 0.078 1.00 0.00 C ATOM 876 C TYR A 61 4.253 -0.430 0.715 1.00 0.00 C ATOM 877 O TYR A 61 3.957 -0.901 1.812 1.00 0.00 O ATOM 878 CB TYR A 61 5.399 -1.665 -1.120 1.00 0.00 C ATOM 879 CG TYR A 61 6.553 -1.655 -2.125 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.686 -2.404 -1.882 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.460 -0.897 -3.275 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.772 -2.395 -2.827 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.546 -0.888 -4.220 1.00 0.00 C ATOM 884 CZ TYR A 61 8.648 -1.637 -3.950 1.00 0.00 C ATOM 885 OH TYR A 61 9.674 -1.628 -4.843 1.00 0.00 O ATOM 0 H TYR A 61 5.981 -2.147 1.583 1.00 0.00 H new ATOM 0 HA TYR A 61 6.067 0.211 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.255 -2.683 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.482 -1.376 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.758 -2.997 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.573 -0.311 -3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.664 -2.976 -2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.487 -0.299 -5.123 1.00 0.00 H new ATOM 0 HH TYR A 61 9.321 -1.481 -5.745 1.00 0.00 H new ATOM 895 N GLN A 62 3.464 0.358 -0.001 1.00 0.00 N ATOM 896 CA GLN A 62 2.145 0.734 0.480 1.00 0.00 C ATOM 897 C GLN A 62 1.124 0.657 -0.656 1.00 0.00 C ATOM 898 O GLN A 62 1.374 1.149 -1.755 1.00 0.00 O ATOM 899 CB GLN A 62 2.167 2.130 1.105 1.00 0.00 C ATOM 900 CG GLN A 62 0.776 2.532 1.598 1.00 0.00 C ATOM 901 CD GLN A 62 0.843 3.791 2.464 1.00 0.00 C ATOM 902 OE1 GLN A 62 1.684 3.931 3.337 1.00 0.00 O ATOM 903 NE2 GLN A 62 -0.086 4.698 2.174 1.00 0.00 N ATOM 0 H GLN A 62 3.713 0.747 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 62 1.848 0.029 1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.871 2.149 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.520 2.855 0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.121 2.708 0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.340 1.715 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.760 4.517 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.124 5.574 2.695 1.00 0.00 H new ATOM 912 N ILE A 63 -0.006 0.035 -0.353 1.00 0.00 N ATOM 913 CA ILE A 63 -1.066 -0.112 -1.335 1.00 0.00 C ATOM 914 C ILE A 63 -2.354 0.504 -0.786 1.00 0.00 C ATOM 915 O ILE A 63 -2.917 0.009 0.189 1.00 0.00 O ATOM 916 CB ILE A 63 -1.214 -1.578 -1.748 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.726 -1.796 -3.182 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.653 -2.061 -1.553 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.132 -3.058 -3.283 1.00 0.00 C ATOM 0 H ILE A 63 -0.210 -0.373 0.559 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.817 0.430 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.581 -2.181 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.581 -1.879 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.148 -0.932 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.730 -3.106 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.930 -1.965 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.325 -1.457 -2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.466 -3.190 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.999 -2.962 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.457 -3.924 -2.979 1.00 0.00 H new ATOM 931 N THR A 64 -2.783 1.577 -1.435 1.00 0.00 N ATOM 932 CA THR A 64 -3.994 2.267 -1.024 1.00 0.00 C ATOM 933 C THR A 64 -5.104 2.055 -2.054 1.00 0.00 C ATOM 934 O THR A 64 -4.945 2.400 -3.224 1.00 0.00 O ATOM 935 CB THR A 64 -3.646 3.739 -0.799 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.620 4.294 -2.112 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.218 3.932 -0.285 1.00 0.00 C ATOM 0 H THR A 64 -2.313 1.985 -2.243 1.00 0.00 H new ATOM 0 HA THR A 64 -4.381 1.863 -0.088 1.00 0.00 H new ATOM 0 HB THR A 64 -4.349 4.173 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.748 3.580 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.023 4.995 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.100 3.411 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.512 3.528 -1.011 1.00 0.00 H new ATOM 945 N HIS A 65 -6.205 1.488 -1.583 1.00 0.00 N ATOM 946 CA HIS A 65 -7.342 1.226 -2.449 1.00 0.00 C ATOM 947 C HIS A 65 -8.558 2.009 -1.950 1.00 0.00 C ATOM 948 O HIS A 65 -8.881 1.972 -0.764 1.00 0.00 O ATOM 949 CB HIS A 65 -7.608 -0.276 -2.556 1.00 0.00 C ATOM 950 CG HIS A 65 -8.083 -0.910 -1.270 1.00 0.00 C ATOM 951 ND1 HIS A 65 -9.414 -1.201 -1.025 1.00 0.00 N ATOM 952 CD2 HIS A 65 -7.392 -1.306 -0.163 1.00 0.00 C ATOM 953 CE1 HIS A 65 -9.507 -1.746 0.179 1.00 0.00 C ATOM 954 NE2 HIS A 65 -8.253 -1.809 0.712 1.00 0.00 N ATOM 0 H HIS A 65 -6.334 1.203 -0.612 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.121 1.570 -3.459 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.355 -0.448 -3.331 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.694 -0.774 -2.878 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.324 -1.224 -0.022 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.416 -2.082 0.655 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -8.016 -2.181 1.632 1.00 0.00 H new ATOM 962 N ARG A 66 -9.200 2.700 -2.881 1.00 0.00 N ATOM 963 CA ARG A 66 -10.373 3.491 -2.551 1.00 0.00 C ATOM 964 C ARG A 66 -11.305 3.588 -3.761 1.00 0.00 C ATOM 965 O ARG A 66 -10.875 3.960 -4.852 1.00 0.00 O ATOM 966 CB ARG A 66 -9.980 4.900 -2.104 1.00 0.00 C ATOM 967 CG ARG A 66 -9.630 5.779 -3.307 1.00 0.00 C ATOM 968 CD ARG A 66 -8.793 6.986 -2.878 1.00 0.00 C ATOM 969 NE ARG A 66 -9.670 8.157 -2.657 1.00 0.00 N ATOM 970 CZ ARG A 66 -9.281 9.281 -2.039 1.00 0.00 C ATOM 971 NH1 ARG A 66 -8.029 9.392 -1.577 1.00 0.00 N ATOM 972 NH2 ARG A 66 -10.146 10.293 -1.883 1.00 0.00 N ATOM 0 H ARG A 66 -8.930 2.728 -3.864 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.888 2.993 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.801 5.351 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.127 4.846 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.079 5.193 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.545 6.120 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.246 6.753 -1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.052 7.216 -3.644 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.631 8.106 -2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.371 8.621 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.733 10.247 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.100 10.208 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.851 11.149 -1.413 1.00 0.00 H new ATOM 986 N LEU A 67 -12.564 3.247 -3.527 1.00 0.00 N ATOM 987 CA LEU A 67 -13.560 3.292 -4.584 1.00 0.00 C ATOM 988 C LEU A 67 -13.444 4.621 -5.333 1.00 0.00 C ATOM 989 O LEU A 67 -13.278 5.672 -4.717 1.00 0.00 O ATOM 990 CB LEU A 67 -14.956 3.026 -4.016 1.00 0.00 C ATOM 991 CG LEU A 67 -15.442 1.577 -4.081 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.924 1.478 -3.716 1.00 0.00 C ATOM 993 CD2 LEU A 67 -15.146 0.960 -5.449 1.00 0.00 C ATOM 0 H LEU A 67 -12.917 2.938 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.380 2.500 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.970 3.346 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.670 3.652 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.889 0.999 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.243 0.437 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.075 1.852 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.511 2.075 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.502 -0.070 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.654 1.534 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.071 0.976 -5.631 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.355 -0.143 3.246 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.688 -1.338 3.734 1.00 0.00 C ATOM 1141 C GLU A 78 -0.203 -1.305 3.364 1.00 0.00 C ATOM 1142 O GLU A 78 0.151 -0.970 2.235 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.360 -2.601 3.192 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.483 -3.832 3.425 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.281 -4.956 4.091 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.498 -5.026 3.816 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -1.655 -5.718 4.859 1.00 0.00 O ATOM 0 HA GLU A 78 -1.772 -1.360 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.325 -2.741 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.554 -2.485 2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.080 -4.181 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.633 -3.564 4.052 1.00 0.00 H new ATOM 1154 N VAL A 79 0.624 -1.658 4.337 1.00 0.00 N ATOM 1155 CA VAL A 79 2.062 -1.673 4.127 1.00 0.00 C ATOM 1156 C VAL A 79 2.498 -3.080 3.715 1.00 0.00 C ATOM 1157 O VAL A 79 2.186 -4.056 4.396 1.00 0.00 O ATOM 1158 CB VAL A 79 2.779 -1.169 5.382 1.00 0.00 C ATOM 1159 CG1 VAL A 79 4.151 -1.829 5.532 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.902 0.356 5.367 1.00 0.00 C ATOM 0 H VAL A 79 0.326 -1.936 5.272 1.00 0.00 H new ATOM 0 HA VAL A 79 2.337 -0.997 3.317 1.00 0.00 H new ATOM 0 HB VAL A 79 2.177 -1.448 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.639 -1.453 6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.029 -2.909 5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.764 -1.595 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.415 0.689 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.471 0.667 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.908 0.801 5.330 1.00 0.00 H new ATOM 1170 N LEU A 80 3.213 -3.141 2.601 1.00 0.00 N ATOM 1171 CA LEU A 80 3.695 -4.412 2.089 1.00 0.00 C ATOM 1172 C LEU A 80 5.207 -4.505 2.308 1.00 0.00 C ATOM 1173 O LEU A 80 5.845 -3.523 2.684 1.00 0.00 O ATOM 1174 CB LEU A 80 3.272 -4.598 0.631 1.00 0.00 C ATOM 1175 CG LEU A 80 1.793 -4.910 0.396 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.254 -4.134 -0.808 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.565 -6.416 0.257 1.00 0.00 C ATOM 0 H LEU A 80 3.470 -2.330 2.039 1.00 0.00 H new ATOM 0 HA LEU A 80 3.242 -5.239 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.523 -3.690 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.866 -5.405 0.201 1.00 0.00 H new ATOM 0 HG LEU A 80 1.231 -4.580 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.201 -4.374 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.361 -3.064 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.816 -4.411 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.505 -6.610 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.140 -6.795 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.887 -6.918 1.169 1.00 0.00 H new ATOM 1189 N ALA A 81 5.736 -5.695 2.063 1.00 0.00 N ATOM 1190 CA ALA A 81 7.161 -5.928 2.228 1.00 0.00 C ATOM 1191 C ALA A 81 7.913 -5.324 1.042 1.00 0.00 C ATOM 1192 O ALA A 81 7.306 -4.967 0.033 1.00 0.00 O ATOM 1193 CB ALA A 81 7.418 -7.429 2.379 1.00 0.00 C ATOM 0 H ALA A 81 5.204 -6.508 1.752 1.00 0.00 H new ATOM 0 HA ALA A 81 7.528 -5.442 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.487 -7.605 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.885 -7.803 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.066 -7.950 1.489 1.00 0.00 H new ATOM 1199 N PRO A 82 9.260 -5.226 1.205 1.00 0.00 N ATOM 1200 CA PRO A 82 10.102 -4.671 0.159 1.00 0.00 C ATOM 1201 C PRO A 82 10.279 -5.667 -0.989 1.00 0.00 C ATOM 1202 O PRO A 82 10.918 -5.356 -1.993 1.00 0.00 O ATOM 1203 CB PRO A 82 11.410 -4.323 0.850 1.00 0.00 C ATOM 1204 CG PRO A 82 11.421 -5.118 2.145 1.00 0.00 C ATOM 1205 CD PRO A 82 10.014 -5.639 2.385 1.00 0.00 C ATOM 0 HA PRO A 82 9.666 -3.788 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.264 -4.584 0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.475 -3.253 1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.128 -5.945 2.079 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.742 -4.490 2.976 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.007 -6.723 2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.586 -5.219 3.295 1.00 0.00 H new ATOM 1213 N SER A 83 9.701 -6.844 -0.803 1.00 0.00 N ATOM 1214 CA SER A 83 9.786 -7.888 -1.810 1.00 0.00 C ATOM 1215 C SER A 83 8.385 -8.255 -2.304 1.00 0.00 C ATOM 1216 O SER A 83 8.118 -9.414 -2.618 1.00 0.00 O ATOM 1217 CB SER A 83 10.497 -9.127 -1.261 1.00 0.00 C ATOM 1218 OG SER A 83 9.835 -9.658 -0.116 1.00 0.00 O ATOM 0 H SER A 83 9.171 -7.098 0.031 1.00 0.00 H new ATOM 0 HA SER A 83 10.371 -7.508 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.547 -9.890 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.524 -8.870 -1.000 1.00 0.00 H new ATOM 0 HG SER A 83 10.318 -10.449 0.204 1.00 0.00 H new ATOM 1224 N ALA A 84 7.528 -7.246 -2.357 1.00 0.00 N ATOM 1225 CA ALA A 84 6.162 -7.448 -2.807 1.00 0.00 C ATOM 1226 C ALA A 84 6.044 -7.023 -4.272 1.00 0.00 C ATOM 1227 O ALA A 84 6.374 -5.891 -4.623 1.00 0.00 O ATOM 1228 CB ALA A 84 5.205 -6.675 -1.897 1.00 0.00 C ATOM 0 H ALA A 84 7.754 -6.286 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 84 5.890 -8.502 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.180 -6.827 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.307 -7.034 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.446 -5.613 -1.934 1.00 0.00 H new ATOM 1234 N ARG A 85 5.573 -7.954 -5.089 1.00 0.00 N ATOM 1235 CA ARG A 85 5.407 -7.690 -6.508 1.00 0.00 C ATOM 1236 C ARG A 85 3.922 -7.569 -6.856 1.00 0.00 C ATOM 1237 O ARG A 85 3.568 -7.021 -7.899 1.00 0.00 O ATOM 1238 CB ARG A 85 6.032 -8.803 -7.352 1.00 0.00 C ATOM 1239 CG ARG A 85 7.548 -8.857 -7.151 1.00 0.00 C ATOM 1240 CD ARG A 85 8.249 -7.773 -7.971 1.00 0.00 C ATOM 1241 NE ARG A 85 9.650 -8.169 -8.242 1.00 0.00 N ATOM 1242 CZ ARG A 85 10.663 -7.979 -7.386 1.00 0.00 C ATOM 1243 NH1 ARG A 85 10.438 -7.398 -6.199 1.00 0.00 N ATOM 1244 NH2 ARG A 85 11.901 -8.370 -7.716 1.00 0.00 N ATOM 0 H ARG A 85 5.301 -8.892 -4.795 1.00 0.00 H new ATOM 0 HA ARG A 85 5.914 -6.751 -6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.591 -9.762 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.807 -8.636 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.783 -8.728 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.922 -9.838 -7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.719 -7.616 -8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.228 -6.826 -7.431 1.00 0.00 H new ATOM 0 HE ARG A 85 9.857 -8.614 -9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.495 -7.100 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.209 -7.254 -5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.072 -8.812 -8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.672 -8.225 -7.064 1.00 0.00 H new ATOM 1258 N GLN A 86 3.093 -8.088 -5.962 1.00 0.00 N ATOM 1259 CA GLN A 86 1.655 -8.045 -6.162 1.00 0.00 C ATOM 1260 C GLN A 86 0.933 -7.993 -4.813 1.00 0.00 C ATOM 1261 O GLN A 86 1.536 -8.252 -3.773 1.00 0.00 O ATOM 1262 CB GLN A 86 1.180 -9.240 -6.992 1.00 0.00 C ATOM 1263 CG GLN A 86 1.229 -10.531 -6.172 1.00 0.00 C ATOM 1264 CD GLN A 86 1.874 -11.664 -6.973 1.00 0.00 C ATOM 1265 OE1 GLN A 86 1.544 -11.913 -8.121 1.00 0.00 O ATOM 1266 NE2 GLN A 86 2.808 -12.335 -6.305 1.00 0.00 N ATOM 0 H GLN A 86 3.390 -8.540 -5.097 1.00 0.00 H new ATOM 0 HA GLN A 86 1.412 -7.139 -6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.162 -9.064 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.806 -9.344 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.793 -10.362 -5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.219 -10.818 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.036 -12.074 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.297 -13.111 -6.752 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.346 -7.656 -4.876 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.156 -7.567 -3.673 1.00 0.00 C ATOM 1277 C TYR A 87 -2.624 -7.875 -3.976 1.00 0.00 C ATOM 1278 O TYR A 87 -3.192 -7.336 -4.924 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.040 -6.118 -3.193 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.123 -5.705 -2.195 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -3.371 -5.326 -2.648 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -1.853 -5.710 -0.842 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -4.390 -4.937 -1.708 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -2.872 -5.321 0.098 1.00 0.00 C ATOM 1285 CZ TYR A 87 -4.091 -4.953 -0.382 1.00 0.00 C ATOM 1286 OH TYR A 87 -5.053 -4.586 0.506 1.00 0.00 O ATOM 0 H TYR A 87 -0.842 -7.441 -5.741 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.814 -8.284 -2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.062 -5.976 -2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.085 -5.455 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.583 -5.321 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.877 -6.006 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.370 -4.639 -2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.673 -5.321 1.160 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.698 -4.647 1.417 1.00 0.00 H new ATOM 1296 N THR A 88 -3.196 -8.741 -3.152 1.00 0.00 N ATOM 1297 CA THR A 88 -4.586 -9.127 -3.320 1.00 0.00 C ATOM 1298 C THR A 88 -5.495 -8.227 -2.480 1.00 0.00 C ATOM 1299 O THR A 88 -5.210 -7.967 -1.312 1.00 0.00 O ATOM 1300 CB THR A 88 -4.710 -10.611 -2.969 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.795 -11.254 -3.852 1.00 0.00 O ATOM 1302 CG2 THR A 88 -6.072 -11.193 -3.356 1.00 0.00 C ATOM 0 H THR A 88 -2.722 -9.186 -2.366 1.00 0.00 H new ATOM 0 HA THR A 88 -4.911 -8.993 -4.352 1.00 0.00 H new ATOM 0 HB THR A 88 -4.548 -10.745 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.810 -12.221 -3.691 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.107 -12.248 -3.085 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.860 -10.657 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.220 -11.089 -4.431 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.571 -7.776 -3.109 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.523 -6.910 -2.434 1.00 0.00 C ATOM 1312 C ALA A 89 -8.851 -7.652 -2.267 1.00 0.00 C ATOM 1313 O ALA A 89 -9.510 -7.982 -3.251 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.678 -5.608 -3.224 1.00 0.00 C ATOM 0 H ALA A 89 -6.804 -7.994 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.164 -6.647 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.392 -4.958 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.713 -5.105 -3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.039 -5.832 -4.228 1.00 0.00 H new ATOM 1320 N THR A 90 -9.203 -7.892 -1.012 1.00 0.00 N ATOM 1321 CA THR A 90 -10.441 -8.589 -0.703 1.00 0.00 C ATOM 1322 C THR A 90 -11.385 -7.676 0.082 1.00 0.00 C ATOM 1323 O THR A 90 -10.942 -6.726 0.726 1.00 0.00 O ATOM 1324 CB THR A 90 -10.084 -9.878 0.039 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.294 -9.437 1.140 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.138 -10.773 -0.763 1.00 0.00 C ATOM 0 H THR A 90 -8.653 -7.617 -0.198 1.00 0.00 H new ATOM 0 HA THR A 90 -10.981 -8.859 -1.610 1.00 0.00 H new ATOM 0 HB THR A 90 -10.996 -10.429 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.020 -10.210 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.917 -11.674 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.610 -11.049 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.212 -10.235 -0.965 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.668 -7.996 0.002 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.678 -7.217 0.697 1.00 0.00 C ATOM 1336 C GLY A 91 -13.984 -5.920 -0.054 1.00 0.00 C ATOM 1337 O GLY A 91 -13.923 -4.835 0.522 1.00 0.00 O ATOM 0 H GLY A 91 -13.031 -8.784 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.590 -7.806 0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.334 -6.985 1.705 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.306 -6.075 -1.330 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.621 -4.929 -2.166 1.00 0.00 C ATOM 1343 C LEU A 92 -16.040 -5.082 -2.719 1.00 0.00 C ATOM 1344 O LEU A 92 -16.570 -6.190 -2.780 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.556 -4.747 -3.249 1.00 0.00 C ATOM 1346 CG LEU A 92 -12.105 -4.943 -2.803 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.238 -5.442 -3.960 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.546 -3.664 -2.177 1.00 0.00 C ATOM 0 H LEU A 92 -14.356 -6.976 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.604 -4.012 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.765 -5.448 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.655 -3.744 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.086 -5.713 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.212 -5.573 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.625 -6.396 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.259 -4.714 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.514 -3.831 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.581 -2.856 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.145 -3.393 -1.308 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.613 -3.953 -3.108 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.960 -3.947 -3.654 1.00 0.00 C ATOM 1362 C LYS A 93 -17.889 -4.065 -5.178 1.00 0.00 C ATOM 1363 O LYS A 93 -17.091 -3.384 -5.820 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.730 -2.717 -3.168 1.00 0.00 C ATOM 1365 CG LYS A 93 -20.030 -2.538 -3.955 1.00 0.00 C ATOM 1366 CD LYS A 93 -20.137 -1.120 -4.520 1.00 0.00 C ATOM 1367 CE LYS A 93 -20.262 -0.089 -3.396 1.00 0.00 C ATOM 1368 NZ LYS A 93 -21.644 -0.062 -2.868 1.00 0.00 N ATOM 0 H LYS A 93 -16.170 -3.036 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.521 -4.809 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.955 -2.820 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -18.109 -1.828 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -20.069 -3.262 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.883 -2.741 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -19.258 -0.899 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -21.003 -1.052 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -19.565 -0.331 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.989 0.898 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -21.711 0.643 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -22.303 0.190 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.891 -1.000 -2.494 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.756 -4.959 -5.726 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.798 -5.175 -7.162 1.00 0.00 C ATOM 1384 C PRO A 94 -19.495 -4.012 -7.871 1.00 0.00 C ATOM 1385 O PRO A 94 -20.190 -3.220 -7.237 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.525 -6.499 -7.339 1.00 0.00 C ATOM 1387 CG PRO A 94 -20.268 -6.744 -6.035 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.714 -5.783 -4.996 1.00 0.00 C ATOM 0 HA PRO A 94 -17.805 -5.217 -7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.217 -6.455 -8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.822 -7.306 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.338 -6.586 -6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.137 -7.776 -5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.505 -5.175 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -19.233 -6.319 -4.178 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.283 -3.945 -9.177 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.881 -2.892 -9.980 1.00 0.00 C ATOM 1398 C GLU A 95 -19.337 -1.527 -9.554 1.00 0.00 C ATOM 1399 O GLU A 95 -20.106 -0.604 -9.287 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.407 -2.929 -9.883 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.985 -4.045 -10.756 1.00 0.00 C ATOM 1402 CD GLU A 95 -23.264 -4.617 -10.139 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -24.246 -3.849 -10.056 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -23.229 -5.809 -9.765 1.00 0.00 O ATOM 0 H GLU A 95 -18.705 -4.603 -9.699 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.612 -3.059 -11.023 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.705 -3.082 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.818 -1.969 -10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -22.199 -3.658 -11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.247 -4.839 -10.874 1.00 0.00 H new ATOM 1411 N SER A 96 -18.016 -1.441 -9.504 1.00 0.00 N ATOM 1412 CA SER A 96 -17.361 -0.203 -9.116 1.00 0.00 C ATOM 1413 C SER A 96 -15.889 -0.239 -9.529 1.00 0.00 C ATOM 1414 O SER A 96 -15.449 -1.177 -10.192 1.00 0.00 O ATOM 1415 CB SER A 96 -17.484 0.035 -7.609 1.00 0.00 C ATOM 1416 OG SER A 96 -18.750 0.586 -7.257 1.00 0.00 O ATOM 0 H SER A 96 -17.381 -2.208 -9.726 1.00 0.00 H new ATOM 0 HA SER A 96 -17.855 0.622 -9.629 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.339 -0.907 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.692 0.709 -7.283 1.00 0.00 H new ATOM 0 HG SER A 96 -19.399 0.395 -7.967 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.167 0.795 -9.121 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.753 0.894 -9.441 1.00 0.00 C ATOM 1424 C VAL A 97 -12.982 1.334 -8.194 1.00 0.00 C ATOM 1425 O VAL A 97 -13.505 2.080 -7.368 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.551 1.833 -10.631 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -14.803 2.674 -10.886 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -12.325 2.725 -10.424 1.00 0.00 C ATOM 0 H VAL A 97 -15.535 1.572 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.360 -0.078 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.374 1.219 -11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -14.632 3.333 -11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.646 2.016 -11.100 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -15.025 3.273 -10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -12.204 3.383 -11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -12.460 3.325 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.437 2.103 -10.315 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.752 0.852 -8.098 1.00 0.00 N ATOM 1439 CA TYR A 98 -10.904 1.186 -6.966 1.00 0.00 C ATOM 1440 C TYR A 98 -9.553 1.729 -7.435 1.00 0.00 C ATOM 1441 O TYR A 98 -8.955 1.196 -8.369 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.678 -0.123 -6.208 1.00 0.00 C ATOM 1443 CG TYR A 98 -11.879 -0.575 -5.374 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -12.876 -1.332 -5.954 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.964 -0.225 -4.042 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.006 -1.756 -5.169 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -13.094 -0.649 -3.257 1.00 0.00 C ATOM 1448 CZ TYR A 98 -14.060 -1.394 -3.859 1.00 0.00 C ATOM 1449 OH TYR A 98 -15.127 -1.795 -3.118 1.00 0.00 O ATOM 0 H TYR A 98 -11.322 0.233 -8.785 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.373 1.952 -6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.430 -0.907 -6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.816 -0.006 -5.551 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.809 -1.606 -6.996 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.183 0.367 -3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.794 -2.349 -5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.173 -0.382 -2.214 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.031 -1.465 -2.200 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.111 2.784 -6.766 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.841 3.406 -7.103 1.00 0.00 C ATOM 1461 C LEU A 99 -6.730 2.772 -6.263 1.00 0.00 C ATOM 1462 O LEU A 99 -6.655 2.995 -5.056 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.933 4.926 -6.955 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.606 5.686 -7.008 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -5.890 5.634 -5.658 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.724 5.170 -8.146 1.00 0.00 C ATOM 0 H LEU A 99 -9.609 3.224 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.593 3.226 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.580 5.310 -7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.420 5.150 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.821 6.734 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.950 6.182 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.521 6.087 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.688 4.596 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.787 5.727 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.514 4.111 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.241 5.303 -9.096 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.893 1.995 -6.936 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.789 1.328 -6.267 1.00 0.00 C ATOM 1480 C PHE A 100 -3.508 2.160 -6.361 1.00 0.00 C ATOM 1481 O PHE A 100 -2.950 2.326 -7.445 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.572 -0.005 -6.985 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.467 -1.138 -6.478 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.754 -1.232 -6.908 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.976 -2.051 -5.598 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.584 -2.283 -6.438 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.807 -3.102 -5.128 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.094 -3.196 -5.558 1.00 0.00 C ATOM 0 H PHE A 100 -5.958 1.813 -7.938 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.022 1.188 -5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.750 0.135 -8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.529 -0.301 -6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.144 -0.507 -7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.954 -1.977 -5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.606 -2.357 -6.780 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.417 -3.827 -4.429 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.726 -3.995 -5.201 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.080 2.660 -5.212 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.875 3.470 -5.151 1.00 0.00 C ATOM 1500 C ARG A 101 -0.729 2.671 -4.527 1.00 0.00 C ATOM 1501 O ARG A 101 -0.777 2.328 -3.346 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.106 4.741 -4.332 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.321 5.919 -4.913 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.048 7.241 -4.659 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.523 7.296 -3.258 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.052 8.387 -2.687 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -3.177 9.519 -3.393 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -3.456 8.345 -1.410 1.00 0.00 N ATOM 0 H ARG A 101 -3.546 2.520 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.613 3.751 -6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.169 4.980 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.803 4.572 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.328 5.954 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.183 5.776 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.378 8.078 -4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.892 7.339 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.443 6.451 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.870 9.550 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.580 10.349 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.361 7.483 -0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.859 9.175 -0.975 1.00 0.00 H new ATOM 1522 N ILE A 102 0.275 2.397 -5.347 1.00 0.00 N ATOM 1523 CA ILE A 102 1.431 1.645 -4.891 1.00 0.00 C ATOM 1524 C ILE A 102 2.567 2.614 -4.561 1.00 0.00 C ATOM 1525 O ILE A 102 2.785 3.588 -5.280 1.00 0.00 O ATOM 1526 CB ILE A 102 1.813 0.575 -5.916 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.710 -0.477 -6.048 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.166 -0.053 -5.574 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.662 -1.046 -7.468 1.00 0.00 C ATOM 0 H ILE A 102 0.311 2.683 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 102 1.196 1.105 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 102 1.917 1.056 -6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.884 -1.283 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.253 -0.033 -5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.414 -0.810 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.935 0.719 -5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.114 -0.516 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.130 -1.791 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.464 -0.241 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.619 -1.511 -7.706 1.00 0.00 H new ATOM 1541 N THR A 103 3.262 2.314 -3.473 1.00 0.00 N ATOM 1542 CA THR A 103 4.370 3.147 -3.039 1.00 0.00 C ATOM 1543 C THR A 103 5.437 2.297 -2.347 1.00 0.00 C ATOM 1544 O THR A 103 5.157 1.187 -1.898 1.00 0.00 O ATOM 1545 CB THR A 103 3.807 4.258 -2.150 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.624 4.676 -2.825 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.692 5.506 -2.142 1.00 0.00 C ATOM 0 H THR A 103 3.079 1.505 -2.879 1.00 0.00 H new ATOM 0 HA THR A 103 4.871 3.613 -3.888 1.00 0.00 H new ATOM 0 HB THR A 103 3.694 3.886 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.194 5.395 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.247 6.263 -1.496 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.683 5.247 -1.769 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.777 5.898 -3.155 1.00 0.00 H new ATOM 1555 N ALA A 104 6.639 2.851 -2.282 1.00 0.00 N ATOM 1556 CA ALA A 104 7.750 2.158 -1.653 1.00 0.00 C ATOM 1557 C ALA A 104 8.200 2.940 -0.417 1.00 0.00 C ATOM 1558 O ALA A 104 7.971 4.145 -0.324 1.00 0.00 O ATOM 1559 CB ALA A 104 8.879 1.973 -2.669 1.00 0.00 C ATOM 0 H ALA A 104 6.868 3.772 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 104 7.444 1.166 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.712 1.453 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.517 1.386 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.214 2.948 -3.023 1.00 0.00 H new ATOM 1565 N GLN A 105 8.831 2.223 0.501 1.00 0.00 N ATOM 1566 CA GLN A 105 9.314 2.835 1.727 1.00 0.00 C ATOM 1567 C GLN A 105 10.823 2.624 1.866 1.00 0.00 C ATOM 1568 O GLN A 105 11.297 1.489 1.878 1.00 0.00 O ATOM 1569 CB GLN A 105 8.570 2.286 2.945 1.00 0.00 C ATOM 1570 CG GLN A 105 8.898 3.096 4.200 1.00 0.00 C ATOM 1571 CD GLN A 105 9.028 2.186 5.423 1.00 0.00 C ATOM 1572 OE1 GLN A 105 10.026 1.515 5.627 1.00 0.00 O ATOM 1573 NE2 GLN A 105 7.965 2.199 6.222 1.00 0.00 N ATOM 0 H GLN A 105 9.019 1.224 0.420 1.00 0.00 H new ATOM 0 HA GLN A 105 9.119 3.906 1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.496 2.312 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.841 1.242 3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 105 9.828 3.644 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.116 3.835 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.162 2.784 5.993 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.953 1.624 7.064 1.00 0.00 H new ATOM 1582 N THR A 106 11.537 3.736 1.967 1.00 0.00 N ATOM 1583 CA THR A 106 12.983 3.688 2.104 1.00 0.00 C ATOM 1584 C THR A 106 13.425 4.446 3.357 1.00 0.00 C ATOM 1585 O THR A 106 12.600 4.794 4.200 1.00 0.00 O ATOM 1586 CB THR A 106 13.599 4.233 0.815 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.837 5.404 0.534 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.341 3.323 -0.388 1.00 0.00 C ATOM 0 H THR A 106 11.141 4.676 1.957 1.00 0.00 H new ATOM 0 HA THR A 106 13.333 2.665 2.241 1.00 0.00 H new ATOM 0 HB THR A 106 14.673 4.359 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 106 13.436 6.122 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.799 3.756 -1.277 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.772 2.340 -0.200 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.267 3.224 -0.545 1.00 0.00 H new ATOM 1596 N ARG A 107 14.726 4.681 3.439 1.00 0.00 N ATOM 1597 CA ARG A 107 15.288 5.393 4.575 1.00 0.00 C ATOM 1598 C ARG A 107 14.972 6.886 4.475 1.00 0.00 C ATOM 1599 O ARG A 107 15.284 7.653 5.385 1.00 0.00 O ATOM 1600 CB ARG A 107 16.805 5.203 4.648 1.00 0.00 C ATOM 1601 CG ARG A 107 17.509 5.989 3.540 1.00 0.00 C ATOM 1602 CD ARG A 107 19.029 5.934 3.710 1.00 0.00 C ATOM 1603 NE ARG A 107 19.524 7.218 4.253 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.816 7.488 4.483 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.751 6.565 4.219 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.174 8.681 4.978 1.00 0.00 N ATOM 0 H ARG A 107 15.408 4.391 2.738 1.00 0.00 H new ATOM 0 HA ARG A 107 14.838 4.983 5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.170 5.532 5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.047 4.144 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.233 5.581 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.175 7.026 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.299 5.118 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.503 5.728 2.750 1.00 0.00 H new ATOM 0 HE ARG A 107 18.839 7.943 4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.479 5.657 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.735 6.771 4.394 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.463 9.384 5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.158 8.886 5.153 1.00 0.00 H new ATOM 1620 N LYS A 108 14.357 7.255 3.361 1.00 0.00 N ATOM 1621 CA LYS A 108 13.995 8.643 3.130 1.00 0.00 C ATOM 1622 C LYS A 108 12.514 8.841 3.459 1.00 0.00 C ATOM 1623 O LYS A 108 12.134 9.856 4.040 1.00 0.00 O ATOM 1624 CB LYS A 108 14.372 9.066 1.709 1.00 0.00 C ATOM 1625 CG LYS A 108 15.844 8.767 1.419 1.00 0.00 C ATOM 1626 CD LYS A 108 16.755 9.477 2.423 1.00 0.00 C ATOM 1627 CE LYS A 108 16.389 10.958 2.543 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.462 11.702 3.240 1.00 0.00 N ATOM 0 H LYS A 108 14.100 6.616 2.608 1.00 0.00 H new ATOM 0 HA LYS A 108 14.559 9.299 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.742 8.541 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.182 10.132 1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 108 16.016 7.692 1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 108 16.092 9.088 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.671 8.998 3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.794 9.380 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.230 11.381 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.451 11.064 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.198 12.705 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.594 11.308 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 18.349 11.616 2.704 1.00 0.00 H new ATOM 1642 N GLY A 109 11.718 7.855 3.072 1.00 0.00 N ATOM 1643 CA GLY A 109 10.287 7.908 3.318 1.00 0.00 C ATOM 1644 C GLY A 109 9.511 7.223 2.191 1.00 0.00 C ATOM 1645 O GLY A 109 9.940 6.192 1.675 1.00 0.00 O ATOM 0 H GLY A 109 12.037 7.015 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.059 7.424 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.968 8.946 3.405 1.00 0.00 H new ATOM 1649 N TRP A 110 8.383 7.825 1.843 1.00 0.00 N ATOM 1650 CA TRP A 110 7.544 7.286 0.786 1.00 0.00 C ATOM 1651 C TRP A 110 7.652 8.216 -0.424 1.00 0.00 C ATOM 1652 O TRP A 110 7.150 9.338 -0.395 1.00 0.00 O ATOM 1653 CB TRP A 110 6.104 7.100 1.271 1.00 0.00 C ATOM 1654 CG TRP A 110 5.953 6.066 2.388 1.00 0.00 C ATOM 1655 CD1 TRP A 110 6.037 6.262 3.711 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.684 4.657 2.225 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.844 5.088 4.410 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.623 4.081 3.477 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.500 3.895 1.058 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.376 2.718 3.683 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.255 2.535 1.280 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.189 1.939 2.535 1.00 0.00 C ATOM 0 H TRP A 110 8.031 8.680 2.274 1.00 0.00 H new ATOM 0 HA TRP A 110 7.883 6.293 0.492 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.723 8.059 1.623 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.483 6.801 0.427 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.231 7.219 4.172 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.860 4.979 5.424 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.544 4.325 0.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.332 2.291 4.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.107 1.904 0.416 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.994 0.880 2.623 1.00 0.00 H new ATOM 1673 N GLY A 111 8.309 7.714 -1.459 1.00 0.00 N ATOM 1674 CA GLY A 111 8.489 8.485 -2.677 1.00 0.00 C ATOM 1675 C GLY A 111 7.221 8.462 -3.533 1.00 0.00 C ATOM 1676 O GLY A 111 6.118 8.315 -3.010 1.00 0.00 O ATOM 0 H GLY A 111 8.723 6.782 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.744 9.515 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.325 8.080 -3.248 1.00 0.00 H new ATOM 1680 N GLU A 112 7.422 8.610 -4.834 1.00 0.00 N ATOM 1681 CA GLU A 112 6.308 8.608 -5.768 1.00 0.00 C ATOM 1682 C GLU A 112 5.421 7.384 -5.533 1.00 0.00 C ATOM 1683 O GLU A 112 5.821 6.445 -4.847 1.00 0.00 O ATOM 1684 CB GLU A 112 6.805 8.655 -7.214 1.00 0.00 C ATOM 1685 CG GLU A 112 6.209 9.850 -7.960 1.00 0.00 C ATOM 1686 CD GLU A 112 7.253 10.952 -8.155 1.00 0.00 C ATOM 1687 OE1 GLU A 112 7.791 11.412 -7.124 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.489 11.309 -9.329 1.00 0.00 O ATOM 0 H GLU A 112 8.339 8.732 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 112 5.712 9.504 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.893 8.720 -7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.535 7.731 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.832 9.526 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.359 10.244 -7.403 1.00 0.00 H new ATOM 1695 N ALA A 113 4.232 7.435 -6.115 1.00 0.00 N ATOM 1696 CA ALA A 113 3.284 6.342 -5.977 1.00 0.00 C ATOM 1697 C ALA A 113 2.582 6.110 -7.317 1.00 0.00 C ATOM 1698 O ALA A 113 2.226 7.063 -8.009 1.00 0.00 O ATOM 1699 CB ALA A 113 2.299 6.659 -4.850 1.00 0.00 C ATOM 0 H ALA A 113 3.903 8.216 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 113 3.799 5.419 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.588 5.839 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.845 6.786 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.762 7.578 -5.084 1.00 0.00 H new ATOM 1705 N ALA A 114 2.403 4.838 -7.642 1.00 0.00 N ATOM 1706 CA ALA A 114 1.750 4.469 -8.887 1.00 0.00 C ATOM 1707 C ALA A 114 0.252 4.281 -8.635 1.00 0.00 C ATOM 1708 O ALA A 114 -0.144 3.453 -7.816 1.00 0.00 O ATOM 1709 CB ALA A 114 2.408 3.210 -9.455 1.00 0.00 C ATOM 0 H ALA A 114 2.699 4.050 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 114 1.863 5.259 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.918 2.933 -10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.464 3.404 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.311 2.394 -8.739 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.539 5.063 -9.355 1.00 0.00 N ATOM 1716 CA GLU A 115 -1.984 4.993 -9.220 1.00 0.00 C ATOM 1717 C GLU A 115 -2.584 4.167 -10.359 1.00 0.00 C ATOM 1718 O GLU A 115 -2.379 4.479 -11.532 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.599 6.393 -9.175 1.00 0.00 C ATOM 1720 CG GLU A 115 -2.795 6.860 -7.731 1.00 0.00 C ATOM 1721 CD GLU A 115 -3.752 8.052 -7.666 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.658 8.101 -8.526 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -3.557 8.887 -6.756 1.00 0.00 O ATOM 0 H GLU A 115 -0.207 5.748 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.218 4.499 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.954 7.095 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.558 6.390 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.188 6.040 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.833 7.138 -7.301 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.313 3.129 -9.975 1.00 0.00 N ATOM 1731 CA ALA A 116 -3.944 2.256 -10.950 1.00 0.00 C ATOM 1732 C ALA A 116 -5.387 1.981 -10.523 1.00 0.00 C ATOM 1733 O ALA A 116 -5.641 1.624 -9.373 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.123 0.973 -11.093 1.00 0.00 C ATOM 0 H ALA A 116 -3.481 2.873 -9.002 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.976 2.733 -11.929 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.596 0.318 -11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.115 1.221 -11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.072 0.465 -10.130 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.295 2.156 -11.472 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.706 1.931 -11.208 1.00 0.00 C ATOM 1742 C LEU A 117 -8.103 0.547 -11.726 1.00 0.00 C ATOM 1743 O LEU A 117 -7.545 0.065 -12.710 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.548 3.069 -11.788 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.502 4.394 -11.024 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.488 5.582 -11.987 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.651 4.486 -10.017 1.00 0.00 C ATOM 0 H LEU A 117 -6.081 2.451 -12.425 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.898 1.938 -10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.221 3.251 -12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.585 2.738 -11.839 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.572 4.429 -10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.455 6.511 -11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.610 5.519 -12.630 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.389 5.564 -12.600 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.595 5.437 -9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.603 4.419 -10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.574 3.667 -9.302 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.064 -0.053 -11.039 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.542 -1.372 -11.418 1.00 0.00 C ATOM 1761 C VAL A 118 -11.019 -1.503 -11.039 1.00 0.00 C ATOM 1762 O VAL A 118 -11.399 -1.223 -9.904 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.664 -2.450 -10.779 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.572 -2.256 -9.265 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.177 -3.850 -11.123 1.00 0.00 C ATOM 0 H VAL A 118 -9.524 0.350 -10.223 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.469 -1.509 -12.497 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.659 -2.351 -11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.942 -3.035 -8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.139 -1.279 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.569 -2.315 -8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.535 -4.597 -10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.196 -3.965 -10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.166 -3.986 -12.204 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.811 -1.929 -12.013 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.237 -2.100 -11.796 1.00 0.00 C ATOM 1777 C VAL A 119 -13.508 -3.527 -11.316 1.00 0.00 C ATOM 1778 O VAL A 119 -12.809 -4.460 -11.707 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.007 -1.741 -13.069 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.442 -2.268 -13.008 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -13.986 -0.231 -13.315 1.00 0.00 C ATOM 0 H VAL A 119 -11.492 -2.161 -12.954 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.589 -1.423 -11.018 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.509 -2.223 -13.910 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.967 -2.000 -13.924 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.427 -3.353 -12.903 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.955 -1.828 -12.153 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.540 -0.003 -14.226 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.448 0.282 -12.471 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -12.955 0.106 -13.424 1.00 0.00 H new ATOM 1791 N THR A 120 -14.524 -3.651 -10.475 1.00 0.00 N ATOM 1792 CA THR A 120 -14.896 -4.949 -9.937 1.00 0.00 C ATOM 1793 C THR A 120 -16.099 -5.515 -10.694 1.00 0.00 C ATOM 1794 O THR A 120 -17.181 -4.930 -10.673 1.00 0.00 O ATOM 1795 CB THR A 120 -15.144 -4.785 -8.436 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.903 -3.583 -8.339 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.862 -4.480 -7.660 1.00 0.00 C ATOM 0 H THR A 120 -15.101 -2.874 -10.153 1.00 0.00 H new ATOM 0 HA THR A 120 -14.096 -5.677 -10.071 1.00 0.00 H new ATOM 0 HB THR A 120 -15.598 -5.694 -8.042 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.302 -3.519 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.095 -4.373 -6.600 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.152 -5.296 -7.795 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.424 -3.553 -8.031 1.00 0.00 H new ATOM 1805 N THR A 121 -15.870 -6.646 -11.344 1.00 0.00 N ATOM 1806 CA THR A 121 -16.921 -7.298 -12.106 1.00 0.00 C ATOM 1807 C THR A 121 -16.403 -8.596 -12.729 1.00 0.00 C ATOM 1808 O THR A 121 -15.202 -8.863 -12.706 1.00 0.00 O ATOM 1809 CB THR A 121 -17.448 -6.297 -13.136 1.00 0.00 C ATOM 1810 OG1 THR A 121 -18.334 -7.066 -13.945 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.363 -5.833 -14.110 1.00 0.00 C ATOM 0 H THR A 121 -14.971 -7.128 -11.359 1.00 0.00 H new ATOM 0 HA THR A 121 -17.751 -7.593 -11.463 1.00 0.00 H new ATOM 0 HB THR A 121 -17.867 -5.433 -12.621 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.723 -6.494 -14.639 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.790 -5.124 -14.819 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.558 -5.351 -13.555 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.967 -6.693 -14.650 1.00 0.00 H new