USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=19 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+ -152:sc= 0 (180deg=-0.468) USER MOD Set 1.2: A 96 SER OG : rot 39:sc= -2.28 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00123 USER MOD Single : A 43 SER OG : rot 50:sc= 1.06 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.5!) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0303 F(o=-0.54,f=-0.03) USER MOD Single : A 64 THR OG1 : rot 160:sc= -1.76 USER MOD Single : A 65 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-2) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 87 TYR OH : rot 175:sc= 0.0222 USER MOD Single : A 88 THR OG1 : rot -115:sc= -0.922 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0.367 USER MOD Single : A 103 THR OG1 : rot 175:sc= -2.79 USER MOD Single : A 105 GLN : amide:sc= -0.0406 K(o=-0.041,f=-0.76) USER MOD Single : A 106 THR OG1 : rot 120:sc= -1.3 USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.111) USER MOD Single : A 120 THR OG1 : rot 178:sc= 0.983 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 13.938 9.406 -1.707 1.00 0.00 N ATOM 351 CA VAL A 27 12.875 8.432 -1.890 1.00 0.00 C ATOM 352 C VAL A 27 12.916 7.904 -3.325 1.00 0.00 C ATOM 353 O VAL A 27 13.479 8.545 -4.211 1.00 0.00 O ATOM 354 CB VAL A 27 11.527 9.053 -1.520 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.376 9.171 -0.002 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.345 10.413 -2.196 1.00 0.00 C ATOM 0 HA VAL A 27 13.018 7.580 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 27 10.742 8.390 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.409 9.615 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.440 8.180 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.172 9.801 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.379 10.832 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.139 11.087 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.387 10.290 -3.278 1.00 0.00 H new ATOM 366 N PRO A 28 12.296 6.708 -3.515 1.00 0.00 N ATOM 367 CA PRO A 28 12.256 6.086 -4.828 1.00 0.00 C ATOM 368 C PRO A 28 11.249 6.793 -5.739 1.00 0.00 C ATOM 369 O PRO A 28 10.664 7.804 -5.356 1.00 0.00 O ATOM 370 CB PRO A 28 11.899 4.633 -4.564 1.00 0.00 C ATOM 371 CG PRO A 28 11.299 4.598 -3.167 1.00 0.00 C ATOM 372 CD PRO A 28 11.619 5.920 -2.490 1.00 0.00 C ATOM 0 HA PRO A 28 13.206 6.159 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.188 4.265 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.782 3.996 -4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.221 4.446 -3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.711 3.767 -2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.713 6.417 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.256 5.774 -1.618 1.00 0.00 H new ATOM 380 N GLY A 29 11.080 6.231 -6.927 1.00 0.00 N ATOM 381 CA GLY A 29 10.154 6.794 -7.895 1.00 0.00 C ATOM 382 C GLY A 29 8.855 5.989 -7.945 1.00 0.00 C ATOM 383 O GLY A 29 8.612 5.141 -7.087 1.00 0.00 O ATOM 0 H GLY A 29 11.568 5.392 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.934 7.829 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.617 6.806 -8.882 1.00 0.00 H new ATOM 387 N PRO A 30 8.031 6.290 -8.985 1.00 0.00 N ATOM 388 CA PRO A 30 6.762 5.603 -9.157 1.00 0.00 C ATOM 389 C PRO A 30 6.974 4.185 -9.691 1.00 0.00 C ATOM 390 O PRO A 30 7.755 3.977 -10.619 1.00 0.00 O ATOM 391 CB PRO A 30 5.965 6.482 -10.107 1.00 0.00 C ATOM 392 CG PRO A 30 6.981 7.381 -10.794 1.00 0.00 C ATOM 393 CD PRO A 30 8.285 7.288 -10.019 1.00 0.00 C ATOM 0 HA PRO A 30 6.227 5.467 -8.217 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.422 5.879 -10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.225 7.071 -9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.129 7.070 -11.828 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.624 8.411 -10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.109 6.987 -10.666 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.556 8.250 -9.583 1.00 0.00 H new ATOM 401 N PRO A 31 6.247 3.221 -9.066 1.00 0.00 N ATOM 402 CA PRO A 31 6.348 1.828 -9.468 1.00 0.00 C ATOM 403 C PRO A 31 5.607 1.582 -10.784 1.00 0.00 C ATOM 404 O PRO A 31 4.377 1.585 -10.817 1.00 0.00 O ATOM 405 CB PRO A 31 5.769 1.040 -8.304 1.00 0.00 C ATOM 406 CG PRO A 31 4.945 2.031 -7.498 1.00 0.00 C ATOM 407 CD PRO A 31 5.313 3.430 -7.963 1.00 0.00 C ATOM 0 HA PRO A 31 7.375 1.521 -9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.150 0.216 -8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.561 0.604 -7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.880 1.849 -7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.146 1.918 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.432 3.983 -8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.772 4.006 -7.160 1.00 0.00 H new ATOM 415 N MET A 32 6.386 1.376 -11.835 1.00 0.00 N ATOM 416 CA MET A 32 5.819 1.130 -13.150 1.00 0.00 C ATOM 417 C MET A 32 5.546 -0.361 -13.358 1.00 0.00 C ATOM 418 O MET A 32 6.108 -1.203 -12.659 1.00 0.00 O ATOM 419 CB MET A 32 6.787 1.626 -14.225 1.00 0.00 C ATOM 420 CG MET A 32 8.157 0.960 -14.080 1.00 0.00 C ATOM 421 SD MET A 32 9.091 1.148 -15.589 1.00 0.00 S ATOM 422 CE MET A 32 10.722 0.728 -14.999 1.00 0.00 C ATOM 0 H MET A 32 7.405 1.374 -11.803 1.00 0.00 H new ATOM 0 HA MET A 32 4.874 1.668 -13.224 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.378 1.414 -15.213 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.895 2.708 -14.151 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.701 1.407 -13.248 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.033 -0.098 -13.849 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.435 0.795 -15.821 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.013 1.421 -14.209 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.716 -0.289 -14.606 1.00 0.00 H new ATOM 432 N GLY A 33 4.683 -0.643 -14.323 1.00 0.00 N ATOM 433 CA GLY A 33 4.328 -2.018 -14.632 1.00 0.00 C ATOM 434 C GLY A 33 3.082 -2.450 -13.857 1.00 0.00 C ATOM 435 O GLY A 33 3.012 -3.576 -13.365 1.00 0.00 O ATOM 0 H GLY A 33 4.219 0.057 -14.901 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.148 -2.119 -15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.161 -2.677 -14.385 1.00 0.00 H new ATOM 439 N ILE A 34 2.129 -1.533 -13.772 1.00 0.00 N ATOM 440 CA ILE A 34 0.890 -1.806 -13.064 1.00 0.00 C ATOM 441 C ILE A 34 -0.101 -2.474 -14.020 1.00 0.00 C ATOM 442 O ILE A 34 -0.444 -1.911 -15.058 1.00 0.00 O ATOM 443 CB ILE A 34 0.352 -0.530 -12.415 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.489 0.304 -11.820 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.724 -0.854 -11.377 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.437 -0.570 -10.997 1.00 0.00 C ATOM 0 H ILE A 34 2.190 -0.601 -14.182 1.00 0.00 H new ATOM 0 HA ILE A 34 1.065 -2.504 -12.245 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.120 0.074 -13.190 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.043 0.794 -12.621 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.076 1.092 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.089 0.071 -10.931 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.550 -1.375 -11.860 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.300 -1.489 -10.599 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.236 0.047 -10.586 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.885 -1.039 -10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.867 -1.342 -11.636 1.00 0.00 H new ATOM 458 N LEU A 35 -0.533 -3.666 -13.635 1.00 0.00 N ATOM 459 CA LEU A 35 -1.478 -4.417 -14.444 1.00 0.00 C ATOM 460 C LEU A 35 -2.385 -5.242 -13.528 1.00 0.00 C ATOM 461 O LEU A 35 -1.969 -5.658 -12.448 1.00 0.00 O ATOM 462 CB LEU A 35 -0.740 -5.252 -15.493 1.00 0.00 C ATOM 463 CG LEU A 35 0.129 -4.471 -16.481 1.00 0.00 C ATOM 464 CD1 LEU A 35 0.937 -5.420 -17.369 1.00 0.00 C ATOM 465 CD2 LEU A 35 -0.717 -3.498 -17.304 1.00 0.00 C ATOM 0 H LEU A 35 -0.246 -4.130 -12.773 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.122 -3.740 -15.005 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.108 -5.974 -14.975 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.477 -5.822 -16.059 1.00 0.00 H new ATOM 0 HG LEU A 35 0.843 -3.876 -15.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.546 -4.840 -18.062 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.584 -6.038 -16.747 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.257 -6.059 -17.932 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.075 -2.955 -17.998 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.469 -4.054 -17.864 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.210 -2.791 -16.637 1.00 0.00 H new ATOM 477 N PHE A 36 -3.607 -5.453 -13.993 1.00 0.00 N ATOM 478 CA PHE A 36 -4.576 -6.220 -13.230 1.00 0.00 C ATOM 479 C PHE A 36 -4.922 -7.530 -13.941 1.00 0.00 C ATOM 480 O PHE A 36 -5.835 -7.572 -14.764 1.00 0.00 O ATOM 481 CB PHE A 36 -5.839 -5.364 -13.121 1.00 0.00 C ATOM 482 CG PHE A 36 -5.691 -4.150 -12.202 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.925 -4.274 -10.868 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.326 -2.946 -12.719 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.787 -3.148 -10.015 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.189 -1.819 -11.866 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.422 -1.944 -10.532 1.00 0.00 C ATOM 0 H PHE A 36 -3.948 -5.106 -14.889 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.166 -6.467 -12.251 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.120 -5.021 -14.117 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.656 -5.986 -12.756 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.216 -5.230 -10.458 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.140 -2.847 -13.778 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.972 -3.247 -8.956 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.900 -0.863 -12.277 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.317 -1.087 -9.883 1.00 0.00 H new ATOM 497 N PRO A 37 -4.153 -8.596 -13.589 1.00 0.00 N ATOM 498 CA PRO A 37 -4.369 -9.903 -14.184 1.00 0.00 C ATOM 499 C PRO A 37 -5.619 -10.570 -13.606 1.00 0.00 C ATOM 500 O PRO A 37 -6.473 -11.048 -14.352 1.00 0.00 O ATOM 501 CB PRO A 37 -3.095 -10.681 -13.897 1.00 0.00 C ATOM 502 CG PRO A 37 -2.406 -9.947 -12.758 1.00 0.00 C ATOM 503 CD PRO A 37 -3.063 -8.584 -12.617 1.00 0.00 C ATOM 0 HA PRO A 37 -4.556 -9.851 -15.257 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.320 -11.710 -13.618 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.455 -10.722 -14.779 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.496 -10.512 -11.830 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.341 -9.838 -12.963 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.436 -8.427 -11.605 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.356 -7.780 -12.824 1.00 0.00 H new ATOM 511 N GLU A 38 -5.688 -10.579 -12.283 1.00 0.00 N ATOM 512 CA GLU A 38 -6.820 -11.178 -11.597 1.00 0.00 C ATOM 513 C GLU A 38 -7.630 -10.103 -10.870 1.00 0.00 C ATOM 514 O GLU A 38 -7.120 -9.441 -9.967 1.00 0.00 O ATOM 515 CB GLU A 38 -6.358 -12.267 -10.626 1.00 0.00 C ATOM 516 CG GLU A 38 -7.495 -12.686 -9.692 1.00 0.00 C ATOM 517 CD GLU A 38 -7.042 -13.797 -8.742 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.241 -14.642 -9.197 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.508 -13.777 -7.582 1.00 0.00 O ATOM 0 H GLU A 38 -4.978 -10.181 -11.668 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.463 -11.649 -12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.005 -13.133 -11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.516 -11.902 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.833 -11.825 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.346 -13.030 -10.280 1.00 0.00 H new ATOM 526 N VAL A 39 -8.879 -9.963 -11.290 1.00 0.00 N ATOM 527 CA VAL A 39 -9.764 -8.980 -10.690 1.00 0.00 C ATOM 528 C VAL A 39 -11.169 -9.574 -10.565 1.00 0.00 C ATOM 529 O VAL A 39 -11.737 -10.046 -11.548 1.00 0.00 O ATOM 530 CB VAL A 39 -9.734 -7.683 -11.502 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.823 -6.717 -11.034 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.353 -7.027 -11.435 1.00 0.00 C ATOM 0 H VAL A 39 -9.299 -10.514 -12.039 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.427 -8.726 -9.685 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.936 -7.935 -12.543 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.779 -5.804 -11.628 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.800 -7.183 -11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.667 -6.474 -9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.358 -6.107 -12.020 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.110 -6.796 -10.398 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.606 -7.710 -11.839 1.00 0.00 H new ATOM 542 N ARG A 40 -11.689 -9.530 -9.347 1.00 0.00 N ATOM 543 CA ARG A 40 -13.016 -10.058 -9.080 1.00 0.00 C ATOM 544 C ARG A 40 -13.925 -8.956 -8.532 1.00 0.00 C ATOM 545 O ARG A 40 -13.570 -7.779 -8.566 1.00 0.00 O ATOM 546 CB ARG A 40 -12.959 -11.210 -8.075 1.00 0.00 C ATOM 547 CG ARG A 40 -11.682 -12.033 -8.256 1.00 0.00 C ATOM 548 CD ARG A 40 -11.536 -13.071 -7.141 1.00 0.00 C ATOM 549 NE ARG A 40 -11.924 -14.409 -7.641 1.00 0.00 N ATOM 550 CZ ARG A 40 -11.583 -15.561 -7.048 1.00 0.00 C ATOM 551 NH1 ARG A 40 -10.844 -15.545 -5.930 1.00 0.00 N ATOM 552 NH2 ARG A 40 -11.979 -16.728 -7.573 1.00 0.00 N ATOM 0 H ARG A 40 -11.215 -9.137 -8.534 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.419 -10.432 -10.021 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.000 -10.814 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.831 -11.852 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.702 -12.534 -9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.816 -11.371 -8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.506 -13.091 -6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.162 -12.795 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.486 -14.457 -8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.542 -14.656 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.584 -16.422 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.540 -16.740 -8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.719 -17.605 -7.121 1.00 0.00 H new ATOM 566 N THR A 41 -15.081 -9.377 -8.040 1.00 0.00 N ATOM 567 CA THR A 41 -16.044 -8.441 -7.486 1.00 0.00 C ATOM 568 C THR A 41 -15.534 -7.875 -6.159 1.00 0.00 C ATOM 569 O THR A 41 -14.997 -6.770 -6.117 1.00 0.00 O ATOM 570 CB THR A 41 -17.388 -9.162 -7.363 1.00 0.00 C ATOM 571 OG1 THR A 41 -17.034 -10.537 -7.234 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.203 -9.107 -8.657 1.00 0.00 C ATOM 0 H THR A 41 -15.372 -10.354 -8.014 1.00 0.00 H new ATOM 0 HA THR A 41 -16.180 -7.580 -8.140 1.00 0.00 H new ATOM 0 HB THR A 41 -17.965 -8.718 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.847 -11.077 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.147 -9.633 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.403 -8.068 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.641 -9.581 -9.462 1.00 0.00 H new ATOM 580 N THR A 42 -15.722 -8.659 -5.107 1.00 0.00 N ATOM 581 CA THR A 42 -15.288 -8.250 -3.782 1.00 0.00 C ATOM 582 C THR A 42 -13.851 -8.711 -3.526 1.00 0.00 C ATOM 583 O THR A 42 -13.465 -8.941 -2.381 1.00 0.00 O ATOM 584 CB THR A 42 -16.292 -8.796 -2.766 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.145 -10.210 -2.859 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.743 -8.544 -3.183 1.00 0.00 C ATOM 0 H THR A 42 -16.169 -9.575 -5.146 1.00 0.00 H new ATOM 0 HA THR A 42 -15.269 -7.164 -3.689 1.00 0.00 H new ATOM 0 HB THR A 42 -16.109 -8.339 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.759 -10.645 -2.231 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.415 -8.951 -2.427 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.913 -7.472 -3.279 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.936 -9.029 -4.140 1.00 0.00 H new ATOM 594 N SER A 43 -13.100 -8.832 -4.610 1.00 0.00 N ATOM 595 CA SER A 43 -11.715 -9.262 -4.517 1.00 0.00 C ATOM 596 C SER A 43 -10.999 -9.012 -5.845 1.00 0.00 C ATOM 597 O SER A 43 -11.595 -9.152 -6.912 1.00 0.00 O ATOM 598 CB SER A 43 -11.622 -10.740 -4.134 1.00 0.00 C ATOM 599 OG SER A 43 -10.315 -11.266 -4.349 1.00 0.00 O ATOM 0 H SER A 43 -13.424 -8.640 -5.558 1.00 0.00 H new ATOM 0 HA SER A 43 -11.228 -8.680 -3.734 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.893 -10.860 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.343 -11.312 -4.718 1.00 0.00 H new ATOM 0 HG SER A 43 -9.652 -10.672 -3.940 1.00 0.00 H new ATOM 605 N VAL A 44 -9.730 -8.645 -5.737 1.00 0.00 N ATOM 606 CA VAL A 44 -8.926 -8.374 -6.917 1.00 0.00 C ATOM 607 C VAL A 44 -7.457 -8.662 -6.604 1.00 0.00 C ATOM 608 O VAL A 44 -7.098 -8.902 -5.452 1.00 0.00 O ATOM 609 CB VAL A 44 -9.166 -6.941 -7.395 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.645 -6.566 -7.282 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.289 -5.952 -6.626 1.00 0.00 C ATOM 0 H VAL A 44 -9.239 -8.529 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.218 -9.029 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.886 -6.888 -8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.788 -5.542 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.240 -7.243 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.962 -6.645 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.480 -4.941 -6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.522 -6.009 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.239 -6.200 -6.781 1.00 0.00 H new ATOM 621 N ARG A 45 -6.645 -8.629 -7.651 1.00 0.00 N ATOM 622 CA ARG A 45 -5.222 -8.883 -7.502 1.00 0.00 C ATOM 623 C ARG A 45 -4.446 -8.254 -8.661 1.00 0.00 C ATOM 624 O ARG A 45 -4.626 -8.640 -9.815 1.00 0.00 O ATOM 625 CB ARG A 45 -4.932 -10.385 -7.460 1.00 0.00 C ATOM 626 CG ARG A 45 -3.431 -10.650 -7.324 1.00 0.00 C ATOM 627 CD ARG A 45 -2.956 -11.659 -8.372 1.00 0.00 C ATOM 628 NE ARG A 45 -2.517 -12.907 -7.710 1.00 0.00 N ATOM 629 CZ ARG A 45 -3.352 -13.794 -7.150 1.00 0.00 C ATOM 630 NH1 ARG A 45 -4.673 -13.575 -7.169 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.864 -14.900 -6.572 1.00 0.00 N ATOM 0 H ARG A 45 -6.945 -8.430 -8.605 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.903 -8.436 -6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.462 -10.838 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.307 -10.857 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.881 -9.716 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.214 -11.028 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.762 -11.874 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.135 -11.236 -8.950 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.517 -13.105 -7.678 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.044 -12.733 -7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.308 -14.250 -6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.858 -15.067 -6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.499 -15.575 -6.146 1.00 0.00 H new ATOM 645 N LEU A 46 -3.601 -7.295 -8.314 1.00 0.00 N ATOM 646 CA LEU A 46 -2.797 -6.608 -9.311 1.00 0.00 C ATOM 647 C LEU A 46 -1.319 -6.922 -9.074 1.00 0.00 C ATOM 648 O LEU A 46 -0.960 -7.496 -8.047 1.00 0.00 O ATOM 649 CB LEU A 46 -3.115 -5.111 -9.317 1.00 0.00 C ATOM 650 CG LEU A 46 -2.264 -4.242 -8.390 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.251 -2.786 -8.862 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.730 -4.369 -6.938 1.00 0.00 C ATOM 0 H LEU A 46 -3.455 -6.977 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.042 -6.967 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.002 -4.740 -10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.162 -4.981 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.237 -4.604 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.639 -2.190 -8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.836 -2.733 -9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.269 -2.397 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.108 -3.741 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.769 -4.049 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.645 -5.408 -6.618 1.00 0.00 H new ATOM 664 N ILE A 47 -0.501 -6.532 -10.040 1.00 0.00 N ATOM 665 CA ILE A 47 0.930 -6.765 -9.949 1.00 0.00 C ATOM 666 C ILE A 47 1.677 -5.528 -10.451 1.00 0.00 C ATOM 667 O ILE A 47 1.306 -4.945 -11.469 1.00 0.00 O ATOM 668 CB ILE A 47 1.312 -8.053 -10.681 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.426 -7.813 -12.188 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.332 -9.181 -10.353 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.098 -7.319 -12.767 1.00 0.00 C ATOM 0 H ILE A 47 -0.802 -6.056 -10.890 1.00 0.00 H new ATOM 0 HA ILE A 47 1.225 -6.917 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 47 2.295 -8.368 -10.329 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.208 -7.079 -12.385 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.723 -8.736 -12.685 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.626 -10.085 -10.886 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.343 -9.372 -9.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.673 -8.890 -10.659 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.207 -7.156 -13.839 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.676 -8.065 -12.590 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.183 -6.383 -12.285 1.00 0.00 H new ATOM 683 N TRP A 48 2.716 -5.163 -9.714 1.00 0.00 N ATOM 684 CA TRP A 48 3.518 -4.005 -10.072 1.00 0.00 C ATOM 685 C TRP A 48 4.986 -4.437 -10.099 1.00 0.00 C ATOM 686 O TRP A 48 5.290 -5.623 -9.980 1.00 0.00 O ATOM 687 CB TRP A 48 3.255 -2.839 -9.117 1.00 0.00 C ATOM 688 CG TRP A 48 3.750 -3.081 -7.689 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.871 -2.624 -7.116 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.089 -3.862 -6.671 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.981 -3.051 -5.808 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.863 -3.828 -5.529 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.877 -4.573 -6.714 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.511 -4.486 -4.345 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.539 -5.226 -5.522 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.308 -5.201 -4.364 1.00 0.00 C ATOM 0 H TRP A 48 3.021 -5.649 -8.871 1.00 0.00 H new ATOM 0 HA TRP A 48 3.245 -3.637 -11.061 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.737 -1.944 -9.511 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.184 -2.639 -9.090 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.598 -2.000 -7.615 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.743 -2.836 -5.165 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.256 -4.613 -7.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.134 -4.444 -3.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.617 -5.788 -5.501 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.978 -5.731 -3.483 1.00 0.00 H new ATOM 707 N GLN A 49 5.856 -3.451 -10.257 1.00 0.00 N ATOM 708 CA GLN A 49 7.285 -3.714 -10.302 1.00 0.00 C ATOM 709 C GLN A 49 8.053 -2.594 -9.597 1.00 0.00 C ATOM 710 O GLN A 49 7.517 -1.508 -9.385 1.00 0.00 O ATOM 711 CB GLN A 49 7.766 -3.886 -11.744 1.00 0.00 C ATOM 712 CG GLN A 49 7.602 -5.335 -12.208 1.00 0.00 C ATOM 713 CD GLN A 49 8.784 -5.770 -13.076 1.00 0.00 C ATOM 714 OE1 GLN A 49 9.818 -6.200 -12.592 1.00 0.00 O ATOM 715 NE2 GLN A 49 8.573 -5.636 -14.382 1.00 0.00 N ATOM 0 H GLN A 49 5.600 -2.469 -10.355 1.00 0.00 H new ATOM 0 HA GLN A 49 7.480 -4.648 -9.776 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.202 -3.224 -12.401 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.813 -3.593 -11.819 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.522 -5.991 -11.341 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.675 -5.437 -12.772 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.683 -5.269 -14.720 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.301 -5.900 -15.046 1.00 0.00 H new ATOM 724 N PRO A 50 9.329 -2.906 -9.245 1.00 0.00 N ATOM 725 CA PRO A 50 10.177 -1.938 -8.569 1.00 0.00 C ATOM 726 C PRO A 50 10.670 -0.866 -9.543 1.00 0.00 C ATOM 727 O PRO A 50 10.794 -1.120 -10.740 1.00 0.00 O ATOM 728 CB PRO A 50 11.306 -2.758 -7.966 1.00 0.00 C ATOM 729 CG PRO A 50 11.304 -4.082 -8.712 1.00 0.00 C ATOM 730 CD PRO A 50 9.997 -4.183 -9.481 1.00 0.00 C ATOM 0 HA PRO A 50 9.648 -1.383 -7.794 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.263 -2.248 -8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.150 -2.911 -6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.153 -4.137 -9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.401 -4.913 -8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.174 -4.347 -10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.392 -5.018 -9.127 1.00 0.00 H new ATOM 738 N PRO A 51 10.945 0.340 -8.979 1.00 0.00 N ATOM 739 CA PRO A 51 11.422 1.452 -9.784 1.00 0.00 C ATOM 740 C PRO A 51 12.890 1.259 -10.170 1.00 0.00 C ATOM 741 O PRO A 51 13.743 1.070 -9.305 1.00 0.00 O ATOM 742 CB PRO A 51 11.190 2.686 -8.928 1.00 0.00 C ATOM 743 CG PRO A 51 11.025 2.180 -7.504 1.00 0.00 C ATOM 744 CD PRO A 51 10.809 0.677 -7.565 1.00 0.00 C ATOM 0 HA PRO A 51 10.896 1.539 -10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.030 3.377 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.302 3.227 -9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.909 2.415 -6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.178 2.668 -7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.544 0.146 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.825 0.403 -7.185 1.00 0.00 H new ATOM 752 N ALA A 52 13.139 1.313 -11.470 1.00 0.00 N ATOM 753 CA ALA A 52 14.489 1.147 -11.981 1.00 0.00 C ATOM 754 C ALA A 52 15.451 2.002 -11.154 1.00 0.00 C ATOM 755 O ALA A 52 16.625 1.661 -11.012 1.00 0.00 O ATOM 756 CB ALA A 52 14.520 1.506 -13.468 1.00 0.00 C ATOM 0 H ALA A 52 12.429 1.469 -12.185 1.00 0.00 H new ATOM 0 HA ALA A 52 14.809 0.109 -11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.533 1.381 -13.851 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.842 0.851 -14.015 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.207 2.542 -13.599 1.00 0.00 H new ATOM 762 N ALA A 53 14.919 3.097 -10.631 1.00 0.00 N ATOM 763 CA ALA A 53 15.716 4.003 -9.822 1.00 0.00 C ATOM 764 C ALA A 53 15.161 4.031 -8.396 1.00 0.00 C ATOM 765 O ALA A 53 14.350 4.892 -8.059 1.00 0.00 O ATOM 766 CB ALA A 53 15.729 5.389 -10.470 1.00 0.00 C ATOM 0 H ALA A 53 13.946 3.377 -10.752 1.00 0.00 H new ATOM 0 HA ALA A 53 16.749 3.659 -9.766 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.327 6.069 -9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.160 5.320 -11.469 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.709 5.767 -10.541 1.00 0.00 H new ATOM 772 N PRO A 54 15.631 3.052 -7.577 1.00 0.00 N ATOM 773 CA PRO A 54 15.189 2.956 -6.196 1.00 0.00 C ATOM 774 C PRO A 54 15.843 4.039 -5.335 1.00 0.00 C ATOM 775 O PRO A 54 15.225 4.555 -4.405 1.00 0.00 O ATOM 776 CB PRO A 54 15.560 1.548 -5.762 1.00 0.00 C ATOM 777 CG PRO A 54 16.605 1.066 -6.755 1.00 0.00 C ATOM 778 CD PRO A 54 16.591 2.015 -7.942 1.00 0.00 C ATOM 0 HA PRO A 54 14.118 3.124 -6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.956 1.544 -4.746 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.687 0.895 -5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.592 1.048 -6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.385 0.048 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.580 2.437 -8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.291 1.502 -8.856 1.00 0.00 H new ATOM 786 N ASN A 55 17.085 4.351 -5.676 1.00 0.00 N ATOM 787 CA ASN A 55 17.829 5.363 -4.946 1.00 0.00 C ATOM 788 C ASN A 55 17.541 5.222 -3.450 1.00 0.00 C ATOM 789 O ASN A 55 17.343 6.218 -2.756 1.00 0.00 O ATOM 790 CB ASN A 55 17.413 6.771 -5.377 1.00 0.00 C ATOM 791 CG ASN A 55 17.003 6.795 -6.851 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.796 6.554 -7.746 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.724 7.097 -7.052 1.00 0.00 N ATOM 0 H ASN A 55 17.594 3.921 -6.448 1.00 0.00 H new ATOM 0 HA ASN A 55 18.889 5.220 -5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.583 7.114 -4.759 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.239 7.464 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.353 7.138 -8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.114 7.288 -6.257 1.00 0.00 H new ATOM 800 N GLY A 56 17.526 3.977 -2.998 1.00 0.00 N ATOM 801 CA GLY A 56 17.266 3.693 -1.597 1.00 0.00 C ATOM 802 C GLY A 56 16.758 2.261 -1.413 1.00 0.00 C ATOM 803 O GLY A 56 15.810 1.845 -2.078 1.00 0.00 O ATOM 0 H GLY A 56 17.690 3.153 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.178 3.836 -1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.529 4.397 -1.210 1.00 0.00 H new ATOM 807 N ILE A 57 17.410 1.547 -0.508 1.00 0.00 N ATOM 808 CA ILE A 57 17.037 0.171 -0.229 1.00 0.00 C ATOM 809 C ILE A 57 15.578 0.126 0.229 1.00 0.00 C ATOM 810 O ILE A 57 15.249 0.603 1.314 1.00 0.00 O ATOM 811 CB ILE A 57 18.014 -0.457 0.768 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.260 -0.986 0.055 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.326 -1.542 1.600 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.708 -0.026 -1.050 1.00 0.00 C ATOM 0 H ILE A 57 18.195 1.896 0.042 1.00 0.00 H new ATOM 0 HA ILE A 57 17.107 -0.434 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 57 18.343 0.319 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.067 -1.119 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.050 -1.966 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.042 -1.972 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.495 -1.104 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.950 -2.323 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.595 -0.425 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.908 0.086 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.940 0.946 -0.615 1.00 0.00 H new ATOM 826 N ILE A 58 14.742 -0.451 -0.621 1.00 0.00 N ATOM 827 CA ILE A 58 13.325 -0.564 -0.317 1.00 0.00 C ATOM 828 C ILE A 58 13.150 -1.318 1.002 1.00 0.00 C ATOM 829 O ILE A 58 13.780 -2.352 1.220 1.00 0.00 O ATOM 830 CB ILE A 58 12.575 -1.197 -1.491 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.818 -0.414 -2.783 1.00 0.00 C ATOM 832 CG2 ILE A 58 11.084 -1.336 -1.177 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.357 1.038 -2.640 1.00 0.00 C ATOM 0 H ILE A 58 15.018 -0.845 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 58 12.884 0.424 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 58 12.967 -2.202 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.878 -0.439 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.284 -0.889 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.574 -1.788 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.955 -1.968 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.660 -0.351 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.541 1.572 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.291 1.061 -2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.910 1.517 -1.832 1.00 0.00 H new ATOM 845 N LEU A 59 12.290 -0.771 1.850 1.00 0.00 N ATOM 846 CA LEU A 59 12.024 -1.378 3.142 1.00 0.00 C ATOM 847 C LEU A 59 10.643 -2.037 3.117 1.00 0.00 C ATOM 848 O LEU A 59 10.372 -2.949 3.896 1.00 0.00 O ATOM 849 CB LEU A 59 12.195 -0.350 4.263 1.00 0.00 C ATOM 850 CG LEU A 59 13.467 0.498 4.207 1.00 0.00 C ATOM 851 CD1 LEU A 59 13.493 1.522 5.343 1.00 0.00 C ATOM 852 CD2 LEU A 59 14.716 -0.386 4.203 1.00 0.00 C ATOM 0 H LEU A 59 11.769 0.086 1.666 1.00 0.00 H new ATOM 0 HA LEU A 59 12.749 -2.165 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.335 0.319 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.174 -0.876 5.218 1.00 0.00 H new ATOM 0 HG LEU A 59 13.465 1.056 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.408 2.112 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.629 2.182 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.461 1.003 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.606 0.242 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.738 -0.989 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.695 -1.042 3.333 1.00 0.00 H new ATOM 864 N ALA A 60 9.806 -1.548 2.213 1.00 0.00 N ATOM 865 CA ALA A 60 8.460 -2.077 2.076 1.00 0.00 C ATOM 866 C ALA A 60 7.694 -1.249 1.042 1.00 0.00 C ATOM 867 O ALA A 60 8.280 -0.420 0.348 1.00 0.00 O ATOM 868 CB ALA A 60 7.773 -2.085 3.443 1.00 0.00 C ATOM 0 H ALA A 60 10.034 -0.791 1.568 1.00 0.00 H new ATOM 0 HA ALA A 60 8.486 -3.107 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.763 -2.482 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.341 -2.711 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.725 -1.068 3.832 1.00 0.00 H new ATOM 874 N TYR A 61 6.395 -1.502 0.974 1.00 0.00 N ATOM 875 CA TYR A 61 5.543 -0.791 0.037 1.00 0.00 C ATOM 876 C TYR A 61 4.165 -0.520 0.645 1.00 0.00 C ATOM 877 O TYR A 61 3.865 -0.989 1.742 1.00 0.00 O ATOM 878 CB TYR A 61 5.381 -1.714 -1.172 1.00 0.00 C ATOM 879 CG TYR A 61 6.543 -1.649 -2.165 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.704 -2.353 -1.916 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.431 -0.887 -3.310 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.798 -2.292 -2.850 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.525 -0.826 -4.244 1.00 0.00 C ATOM 884 CZ TYR A 61 8.654 -1.532 -3.968 1.00 0.00 C ATOM 885 OH TYR A 61 9.687 -1.474 -4.851 1.00 0.00 O ATOM 0 H TYR A 61 5.912 -2.189 1.553 1.00 0.00 H new ATOM 0 HA TYR A 61 5.984 0.170 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.274 -2.740 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.458 -1.457 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.792 -2.950 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.523 -0.336 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.712 -2.837 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.451 -0.233 -5.144 1.00 0.00 H new ATOM 0 HH TYR A 61 10.190 -2.314 -4.822 1.00 0.00 H new ATOM 895 N GLN A 62 3.365 0.234 -0.094 1.00 0.00 N ATOM 896 CA GLN A 62 2.026 0.572 0.359 1.00 0.00 C ATOM 897 C GLN A 62 1.032 0.471 -0.799 1.00 0.00 C ATOM 898 O GLN A 62 1.299 0.963 -1.895 1.00 0.00 O ATOM 899 CB GLN A 62 1.996 1.967 0.987 1.00 0.00 C ATOM 900 CG GLN A 62 0.570 2.362 1.377 1.00 0.00 C ATOM 901 CD GLN A 62 0.575 3.550 2.342 1.00 0.00 C ATOM 902 OE1 GLN A 62 -0.119 4.599 1.911 1.00 0.00 O flip ATOM 903 NE2 GLN A 62 1.169 3.515 3.407 1.00 0.00 N flip ATOM 0 H GLN A 62 3.618 0.621 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 62 1.732 -0.143 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.637 1.987 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.399 2.695 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.002 2.618 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.068 1.513 1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.683 2.676 3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.151 4.324 4.028 1.00 0.00 H new ATOM 912 N ILE A 63 -0.092 -0.170 -0.518 1.00 0.00 N ATOM 913 CA ILE A 63 -1.127 -0.342 -1.523 1.00 0.00 C ATOM 914 C ILE A 63 -2.449 0.214 -0.989 1.00 0.00 C ATOM 915 O ILE A 63 -3.063 -0.378 -0.103 1.00 0.00 O ATOM 916 CB ILE A 63 -1.209 -1.805 -1.963 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.684 -1.980 -3.389 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.632 -2.346 -1.806 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.233 -3.200 -3.490 1.00 0.00 C ATOM 0 H ILE A 63 -0.309 -0.577 0.392 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.882 0.224 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.566 -2.394 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.522 -2.092 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.140 -1.086 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.663 -3.388 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.934 -2.278 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.315 -1.758 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.592 -3.301 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.082 -3.074 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.321 -4.096 -3.210 1.00 0.00 H new ATOM 931 N THR A 64 -2.848 1.346 -1.551 1.00 0.00 N ATOM 932 CA THR A 64 -4.085 1.989 -1.142 1.00 0.00 C ATOM 933 C THR A 64 -5.209 1.656 -2.125 1.00 0.00 C ATOM 934 O THR A 64 -4.951 1.195 -3.235 1.00 0.00 O ATOM 935 CB THR A 64 -3.817 3.490 -1.010 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.746 3.949 -2.358 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.428 3.789 -0.441 1.00 0.00 C ATOM 0 H THR A 64 -2.336 1.834 -2.286 1.00 0.00 H new ATOM 0 HA THR A 64 -4.422 1.619 -0.174 1.00 0.00 H new ATOM 0 HB THR A 64 -4.576 3.940 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.897 4.917 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.289 4.868 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.337 3.344 0.550 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.667 3.369 -1.099 1.00 0.00 H new ATOM 945 N HIS A 65 -6.432 1.904 -1.681 1.00 0.00 N ATOM 946 CA HIS A 65 -7.597 1.637 -2.508 1.00 0.00 C ATOM 947 C HIS A 65 -8.773 2.490 -2.029 1.00 0.00 C ATOM 948 O HIS A 65 -9.034 2.577 -0.831 1.00 0.00 O ATOM 949 CB HIS A 65 -7.918 0.141 -2.526 1.00 0.00 C ATOM 950 CG HIS A 65 -8.585 -0.359 -1.267 1.00 0.00 C ATOM 951 ND1 HIS A 65 -9.904 -0.078 -0.954 1.00 0.00 N ATOM 952 CD2 HIS A 65 -8.103 -1.125 -0.246 1.00 0.00 C ATOM 953 CE1 HIS A 65 -10.191 -0.653 0.204 1.00 0.00 C ATOM 954 NE2 HIS A 65 -9.074 -1.301 0.642 1.00 0.00 N ATOM 0 H HIS A 65 -6.642 2.287 -0.759 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.387 1.917 -3.540 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.566 -0.071 -3.377 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.994 -0.417 -2.682 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.101 -1.521 -0.173 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.143 -0.615 0.712 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -8.997 -1.833 1.509 1.00 0.00 H new ATOM 962 N ARG A 66 -9.451 3.099 -2.992 1.00 0.00 N ATOM 963 CA ARG A 66 -10.593 3.943 -2.684 1.00 0.00 C ATOM 964 C ARG A 66 -11.459 4.139 -3.929 1.00 0.00 C ATOM 965 O ARG A 66 -10.946 4.445 -5.005 1.00 0.00 O ATOM 966 CB ARG A 66 -10.144 5.309 -2.163 1.00 0.00 C ATOM 967 CG ARG A 66 -9.565 6.163 -3.293 1.00 0.00 C ATOM 968 CD ARG A 66 -8.660 7.265 -2.738 1.00 0.00 C ATOM 969 NE ARG A 66 -8.736 8.465 -3.602 1.00 0.00 N ATOM 970 CZ ARG A 66 -8.133 9.629 -3.325 1.00 0.00 C ATOM 971 NH1 ARG A 66 -7.405 9.758 -2.207 1.00 0.00 N ATOM 972 NH2 ARG A 66 -8.257 10.665 -4.166 1.00 0.00 N ATOM 0 H ARG A 66 -9.231 3.024 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.174 3.444 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.990 5.825 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.395 5.176 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.998 5.532 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.376 6.609 -3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.963 7.518 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.631 6.910 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.281 8.402 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.310 8.970 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.946 10.644 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.811 10.567 -5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.798 11.551 -3.955 1.00 0.00 H new ATOM 986 N LEU A 67 -12.758 3.955 -3.743 1.00 0.00 N ATOM 987 CA LEU A 67 -13.700 4.108 -4.839 1.00 0.00 C ATOM 988 C LEU A 67 -13.376 5.389 -5.610 1.00 0.00 C ATOM 989 O LEU A 67 -13.294 6.467 -5.023 1.00 0.00 O ATOM 990 CB LEU A 67 -15.138 4.049 -4.320 1.00 0.00 C ATOM 991 CG LEU A 67 -15.746 2.652 -4.183 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.495 2.252 -5.456 1.00 0.00 C ATOM 993 CD2 LEU A 67 -14.678 1.625 -3.800 1.00 0.00 C ATOM 0 H LEU A 67 -13.180 3.701 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.605 3.281 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.171 4.535 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.769 4.634 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.476 2.675 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.917 1.255 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.298 2.965 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.804 2.251 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.136 0.640 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.907 1.597 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.229 1.905 -2.847 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.625 -0.617 2.845 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.915 -1.701 3.503 1.00 0.00 C ATOM 1141 C GLU A 78 -0.427 -1.651 3.152 1.00 0.00 C ATOM 1142 O GLU A 78 -0.065 -1.459 1.992 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.520 -3.057 3.133 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.545 -4.195 3.439 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.268 -5.376 4.090 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.056 -6.026 3.369 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -2.015 -5.603 5.293 1.00 0.00 O ATOM 0 HA GLU A 78 -2.019 -1.576 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.447 -3.209 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.776 -3.068 2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.062 -4.522 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.758 -3.836 4.102 1.00 0.00 H new ATOM 1154 N VAL A 79 0.396 -1.828 4.175 1.00 0.00 N ATOM 1155 CA VAL A 79 1.837 -1.806 3.989 1.00 0.00 C ATOM 1156 C VAL A 79 2.316 -3.200 3.582 1.00 0.00 C ATOM 1157 O VAL A 79 1.974 -4.191 4.226 1.00 0.00 O ATOM 1158 CB VAL A 79 2.520 -1.285 5.256 1.00 0.00 C ATOM 1159 CG1 VAL A 79 3.880 -1.956 5.461 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.659 0.238 5.218 1.00 0.00 C ATOM 0 H VAL A 79 0.092 -1.987 5.136 1.00 0.00 H new ATOM 0 HA VAL A 79 2.108 -1.122 3.185 1.00 0.00 H new ATOM 0 HB VAL A 79 1.889 -1.542 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.344 -1.568 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.744 -3.033 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.522 -1.745 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.147 0.582 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.258 0.527 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.671 0.692 5.142 1.00 0.00 H new ATOM 1170 N LEU A 80 3.101 -3.233 2.515 1.00 0.00 N ATOM 1171 CA LEU A 80 3.631 -4.490 2.013 1.00 0.00 C ATOM 1172 C LEU A 80 5.136 -4.547 2.281 1.00 0.00 C ATOM 1173 O LEU A 80 5.732 -3.558 2.705 1.00 0.00 O ATOM 1174 CB LEU A 80 3.260 -4.678 0.541 1.00 0.00 C ATOM 1175 CG LEU A 80 1.798 -5.028 0.256 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.280 -4.268 -0.966 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.615 -6.540 0.111 1.00 0.00 C ATOM 0 H LEU A 80 3.383 -2.409 1.984 1.00 0.00 H new ATOM 0 HA LEU A 80 3.181 -5.331 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.504 -3.760 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.889 -5.466 0.126 1.00 0.00 H new ATOM 0 HG LEU A 80 1.198 -4.711 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.239 -4.535 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.353 -3.196 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.878 -4.531 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.567 -6.762 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.228 -6.903 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.919 -7.033 1.034 1.00 0.00 H new ATOM 1189 N ALA A 81 5.707 -5.714 2.023 1.00 0.00 N ATOM 1190 CA ALA A 81 7.131 -5.913 2.230 1.00 0.00 C ATOM 1191 C ALA A 81 7.902 -5.315 1.052 1.00 0.00 C ATOM 1192 O ALA A 81 7.310 -4.958 0.035 1.00 0.00 O ATOM 1193 CB ALA A 81 7.417 -7.405 2.417 1.00 0.00 C ATOM 0 H ALA A 81 5.209 -6.532 1.672 1.00 0.00 H new ATOM 0 HA ALA A 81 7.462 -5.402 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.486 -7.554 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.869 -7.775 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.100 -7.950 1.528 1.00 0.00 H new ATOM 1199 N PRO A 82 9.247 -5.221 1.234 1.00 0.00 N ATOM 1200 CA PRO A 82 10.105 -4.672 0.198 1.00 0.00 C ATOM 1201 C PRO A 82 10.295 -5.672 -0.944 1.00 0.00 C ATOM 1202 O PRO A 82 10.886 -5.343 -1.971 1.00 0.00 O ATOM 1203 CB PRO A 82 11.405 -4.327 0.906 1.00 0.00 C ATOM 1204 CG PRO A 82 11.396 -5.118 2.204 1.00 0.00 C ATOM 1205 CD PRO A 82 9.983 -5.633 2.425 1.00 0.00 C ATOM 0 HA PRO A 82 9.678 -3.789 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.266 -4.593 0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.471 -3.257 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.101 -5.948 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.708 -4.488 3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.971 -6.717 2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.544 -5.209 3.328 1.00 0.00 H new ATOM 1213 N SER A 83 9.781 -6.874 -0.727 1.00 0.00 N ATOM 1214 CA SER A 83 9.886 -7.925 -1.726 1.00 0.00 C ATOM 1215 C SER A 83 8.493 -8.314 -2.224 1.00 0.00 C ATOM 1216 O SER A 83 8.233 -9.484 -2.501 1.00 0.00 O ATOM 1217 CB SER A 83 10.609 -9.150 -1.162 1.00 0.00 C ATOM 1218 OG SER A 83 11.904 -9.315 -1.734 1.00 0.00 O ATOM 0 H SER A 83 9.291 -7.144 0.126 1.00 0.00 H new ATOM 0 HA SER A 83 10.471 -7.544 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.700 -9.051 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.012 -10.042 -1.351 1.00 0.00 H new ATOM 0 HG SER A 83 12.334 -10.106 -1.347 1.00 0.00 H new ATOM 1224 N ALA A 84 7.633 -7.310 -2.324 1.00 0.00 N ATOM 1225 CA ALA A 84 6.273 -7.533 -2.784 1.00 0.00 C ATOM 1226 C ALA A 84 6.158 -7.100 -4.247 1.00 0.00 C ATOM 1227 O ALA A 84 6.514 -5.975 -4.595 1.00 0.00 O ATOM 1228 CB ALA A 84 5.297 -6.783 -1.875 1.00 0.00 C ATOM 0 H ALA A 84 7.852 -6.341 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 84 6.018 -8.592 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.277 -6.950 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.399 -7.147 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.519 -5.716 -1.904 1.00 0.00 H new ATOM 1234 N ARG A 85 5.658 -8.015 -5.064 1.00 0.00 N ATOM 1235 CA ARG A 85 5.491 -7.742 -6.482 1.00 0.00 C ATOM 1236 C ARG A 85 4.007 -7.600 -6.823 1.00 0.00 C ATOM 1237 O ARG A 85 3.651 -6.944 -7.802 1.00 0.00 O ATOM 1238 CB ARG A 85 6.099 -8.859 -7.333 1.00 0.00 C ATOM 1239 CG ARG A 85 6.839 -8.285 -8.543 1.00 0.00 C ATOM 1240 CD ARG A 85 8.350 -8.488 -8.408 1.00 0.00 C ATOM 1241 NE ARG A 85 8.917 -8.934 -9.700 1.00 0.00 N ATOM 1242 CZ ARG A 85 10.129 -9.489 -9.837 1.00 0.00 C ATOM 1243 NH1 ARG A 85 10.909 -9.669 -8.762 1.00 0.00 N ATOM 1244 NH2 ARG A 85 10.563 -9.863 -11.048 1.00 0.00 N ATOM 0 H ARG A 85 5.363 -8.947 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 85 6.009 -6.809 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.787 -9.449 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.312 -9.534 -7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.484 -8.767 -9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.618 -7.222 -8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.824 -7.558 -8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.558 -9.228 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 85 8.350 -8.811 -10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.580 -9.384 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.832 -10.091 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.971 -9.725 -11.867 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.486 -10.285 -11.151 1.00 0.00 H new ATOM 1258 N GLN A 86 3.180 -8.225 -5.998 1.00 0.00 N ATOM 1259 CA GLN A 86 1.742 -8.176 -6.201 1.00 0.00 C ATOM 1260 C GLN A 86 1.016 -8.174 -4.854 1.00 0.00 C ATOM 1261 O GLN A 86 1.609 -8.491 -3.824 1.00 0.00 O ATOM 1262 CB GLN A 86 1.271 -9.340 -7.075 1.00 0.00 C ATOM 1263 CG GLN A 86 1.525 -10.682 -6.385 1.00 0.00 C ATOM 1264 CD GLN A 86 1.765 -11.790 -7.412 1.00 0.00 C ATOM 1265 OE1 GLN A 86 0.884 -11.806 -8.408 1.00 0.00 O flip ATOM 1266 NE2 GLN A 86 2.690 -12.578 -7.308 1.00 0.00 N flip ATOM 0 H GLN A 86 3.478 -8.768 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 86 1.500 -7.251 -6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.207 -9.232 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.792 -9.315 -8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.389 -10.598 -5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.671 -10.940 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.331 -12.510 -6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.822 -13.305 -8.011 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.258 -7.813 -4.905 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.071 -7.766 -3.702 1.00 0.00 C ATOM 1277 C TYR A 87 -2.520 -8.157 -4.003 1.00 0.00 C ATOM 1278 O TYR A 87 -3.157 -7.567 -4.874 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.036 -6.312 -3.226 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.065 -5.988 -2.141 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -3.327 -5.556 -2.493 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -1.729 -6.127 -0.809 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -4.295 -5.251 -1.471 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -2.697 -5.821 0.213 1.00 0.00 C ATOM 1285 CZ TYR A 87 -3.932 -5.398 -0.169 1.00 0.00 C ATOM 1286 OH TYR A 87 -4.846 -5.110 0.796 1.00 0.00 O ATOM 0 H TYR A 87 -0.747 -7.550 -5.761 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.689 -8.460 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.039 -6.089 -2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.205 -5.656 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.589 -5.446 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.741 -6.465 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.287 -4.913 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.448 -5.925 1.259 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.477 -5.337 1.675 1.00 0.00 H new ATOM 1296 N THR A 88 -2.997 -9.149 -3.266 1.00 0.00 N ATOM 1297 CA THR A 88 -4.358 -9.626 -3.443 1.00 0.00 C ATOM 1298 C THR A 88 -5.314 -8.860 -2.527 1.00 0.00 C ATOM 1299 O THR A 88 -5.080 -8.758 -1.324 1.00 0.00 O ATOM 1300 CB THR A 88 -4.365 -11.136 -3.202 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.466 -11.649 -4.182 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.708 -11.779 -3.555 1.00 0.00 C ATOM 0 H THR A 88 -2.465 -9.636 -2.545 1.00 0.00 H new ATOM 0 HA THR A 88 -4.713 -9.443 -4.457 1.00 0.00 H new ATOM 0 HB THR A 88 -4.130 -11.337 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.958 -12.213 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.659 -12.851 -3.366 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.495 -11.338 -2.943 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.928 -11.606 -4.608 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.373 -8.341 -3.132 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.366 -7.587 -2.385 1.00 0.00 C ATOM 1312 C ALA A 89 -8.603 -8.460 -2.165 1.00 0.00 C ATOM 1313 O ALA A 89 -9.010 -9.203 -3.057 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.692 -6.292 -3.133 1.00 0.00 C ATOM 0 H ALA A 89 -6.565 -8.428 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.980 -7.309 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.437 -5.726 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.786 -5.695 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.086 -6.532 -4.121 1.00 0.00 H new ATOM 1320 N THR A 90 -9.167 -8.342 -0.972 1.00 0.00 N ATOM 1321 CA THR A 90 -10.349 -9.111 -0.623 1.00 0.00 C ATOM 1322 C THR A 90 -11.316 -8.259 0.201 1.00 0.00 C ATOM 1323 O THR A 90 -10.890 -7.468 1.042 1.00 0.00 O ATOM 1324 CB THR A 90 -9.891 -10.381 0.098 1.00 0.00 C ATOM 1325 OG1 THR A 90 -8.933 -9.915 1.045 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.092 -11.315 -0.812 1.00 0.00 C ATOM 0 H THR A 90 -8.827 -7.725 -0.235 1.00 0.00 H new ATOM 0 HA THR A 90 -10.905 -9.408 -1.513 1.00 0.00 H new ATOM 0 HB THR A 90 -10.760 -10.911 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.585 -10.674 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.792 -12.200 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.710 -11.614 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.204 -10.797 -1.176 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.599 -8.450 -0.068 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.630 -7.708 0.639 1.00 0.00 C ATOM 1336 C GLY A 91 -13.809 -6.312 0.039 1.00 0.00 C ATOM 1337 O GLY A 91 -13.717 -5.311 0.748 1.00 0.00 O ATOM 0 H GLY A 91 -12.948 -9.107 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.573 -8.252 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.365 -7.624 1.693 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.064 -6.290 -1.261 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.257 -5.033 -1.964 1.00 0.00 C ATOM 1343 C LEU A 92 -15.697 -4.956 -2.475 1.00 0.00 C ATOM 1344 O LEU A 92 -16.451 -5.922 -2.365 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.205 -4.866 -3.062 1.00 0.00 C ATOM 1346 CG LEU A 92 -11.770 -5.229 -2.677 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -10.962 -5.650 -3.906 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.100 -4.083 -1.916 1.00 0.00 C ATOM 0 H LEU A 92 -14.141 -7.122 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.113 -4.191 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.498 -5.479 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.219 -3.829 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.803 -6.086 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.946 -5.903 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.430 -6.519 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.934 -4.829 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.081 -4.367 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.079 -3.193 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.663 -3.872 -1.007 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.036 -3.798 -3.024 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.372 -3.583 -3.552 1.00 0.00 C ATOM 1362 C LYS A 93 -17.359 -3.805 -5.066 1.00 0.00 C ATOM 1363 O LYS A 93 -16.516 -3.252 -5.771 1.00 0.00 O ATOM 1364 CB LYS A 93 -17.897 -2.207 -3.137 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.164 -1.846 -3.914 1.00 0.00 C ATOM 1366 CD LYS A 93 -19.146 -0.377 -4.341 1.00 0.00 C ATOM 1367 CE LYS A 93 -19.061 0.546 -3.124 1.00 0.00 C ATOM 1368 NZ LYS A 93 -19.339 1.946 -3.514 1.00 0.00 N ATOM 0 H LYS A 93 -15.408 -2.999 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.070 -4.306 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.108 -2.202 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.130 -1.453 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.249 -2.483 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.041 -2.038 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -18.296 -0.196 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.046 -0.150 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -19.776 0.225 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.069 0.477 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -18.844 2.592 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.006 2.108 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -20.363 2.124 -3.464 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.328 -4.637 -5.533 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.436 -4.938 -6.950 1.00 0.00 C ATOM 1384 C PRO A 94 -19.031 -3.757 -7.719 1.00 0.00 C ATOM 1385 O PRO A 94 -19.429 -2.759 -7.120 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.298 -6.188 -7.022 1.00 0.00 C ATOM 1387 CG PRO A 94 -20.022 -6.272 -5.688 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.343 -5.309 -4.728 1.00 0.00 C ATOM 0 HA PRO A 94 -17.467 -5.111 -7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.007 -6.127 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.687 -7.075 -7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.074 -6.013 -5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.986 -7.289 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.055 -4.596 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.895 -5.838 -3.887 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.073 -3.908 -9.034 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.613 -2.866 -9.891 1.00 0.00 C ATOM 1398 C GLU A 95 -19.083 -1.497 -9.460 1.00 0.00 C ATOM 1399 O GLU A 95 -19.845 -0.536 -9.359 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.143 -2.889 -9.885 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.675 -4.164 -10.542 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.804 -4.779 -9.712 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.874 -4.137 -9.647 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -22.570 -5.876 -9.162 1.00 0.00 O ATOM 0 H GLU A 95 -18.742 -4.737 -9.528 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.284 -3.056 -10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.507 -2.825 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.525 -2.016 -10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -22.038 -3.937 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.865 -4.885 -10.652 1.00 0.00 H new ATOM 1411 N SER A 96 -17.782 -1.452 -9.216 1.00 0.00 N ATOM 1412 CA SER A 96 -17.142 -0.216 -8.797 1.00 0.00 C ATOM 1413 C SER A 96 -15.666 -0.228 -9.202 1.00 0.00 C ATOM 1414 O SER A 96 -15.123 -1.275 -9.550 1.00 0.00 O ATOM 1415 CB SER A 96 -17.276 -0.010 -7.287 1.00 0.00 C ATOM 1416 OG SER A 96 -18.331 0.891 -6.963 1.00 0.00 O ATOM 0 H SER A 96 -17.153 -2.251 -9.300 1.00 0.00 H new ATOM 0 HA SER A 96 -17.643 0.614 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.458 -0.970 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.337 0.373 -6.889 1.00 0.00 H new ATOM 0 HG SER A 96 -19.092 0.731 -7.559 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.059 0.948 -9.143 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.658 1.086 -9.499 1.00 0.00 C ATOM 1424 C VAL A 97 -12.850 1.437 -8.247 1.00 0.00 C ATOM 1425 O VAL A 97 -13.283 2.251 -7.433 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.501 2.116 -10.619 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -14.857 2.704 -11.017 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -12.521 3.220 -10.217 1.00 0.00 C ATOM 0 H VAL A 97 -15.513 1.815 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.268 0.144 -9.885 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.089 1.604 -11.489 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -14.717 3.433 -11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.512 1.905 -11.366 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -15.309 3.193 -10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -12.428 3.938 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -12.890 3.727 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.545 2.782 -10.007 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.691 0.806 -8.134 1.00 0.00 N ATOM 1439 CA TYR A 98 -10.819 1.041 -6.996 1.00 0.00 C ATOM 1440 C TYR A 98 -9.448 1.545 -7.450 1.00 0.00 C ATOM 1441 O TYR A 98 -8.746 0.861 -8.194 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.649 -0.315 -6.307 1.00 0.00 C ATOM 1443 CG TYR A 98 -11.774 -0.663 -5.331 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.086 -0.660 -5.760 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.477 -0.980 -4.021 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.145 -0.988 -4.841 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.536 -1.307 -3.102 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.818 -1.295 -3.557 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.818 -1.604 -2.689 1.00 0.00 O ATOM 0 H TYR A 98 -11.335 0.132 -8.812 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.246 1.795 -6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.589 -1.093 -7.068 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.701 -0.321 -5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.318 -0.412 -6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.450 -0.983 -3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.176 -0.990 -5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.317 -1.556 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.437 -1.803 -1.808 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.106 2.737 -6.983 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.831 3.340 -7.333 1.00 0.00 C ATOM 1461 C LEU A 99 -6.727 2.724 -6.471 1.00 0.00 C ATOM 1462 O LEU A 99 -6.641 2.999 -5.275 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.913 4.864 -7.229 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.578 5.611 -7.256 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -5.941 5.644 -5.865 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.637 5.014 -8.304 1.00 0.00 C ATOM 0 H LEU A 99 -9.690 3.301 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.581 3.127 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.529 5.232 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.430 5.118 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.769 6.644 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.993 6.181 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.611 6.150 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.764 4.625 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.695 5.563 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.447 3.967 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.097 5.086 -9.289 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.910 1.901 -7.112 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.815 1.243 -6.419 1.00 0.00 C ATOM 1480 C PHE A 100 -3.530 2.068 -6.517 1.00 0.00 C ATOM 1481 O PHE A 100 -2.962 2.213 -7.598 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.595 -0.105 -7.109 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.463 -1.236 -6.555 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.776 -1.319 -6.902 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.923 -2.159 -5.714 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.581 -2.369 -6.388 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.729 -3.209 -5.200 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.041 -3.292 -5.548 1.00 0.00 C ATOM 0 H PHE A 100 -5.984 1.675 -8.104 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.060 1.125 -5.363 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.798 0.006 -8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.546 -0.385 -7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.206 -0.586 -7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.881 -2.093 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.623 -2.435 -6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.300 -3.942 -4.533 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.654 -4.091 -5.157 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.111 2.588 -5.372 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.904 3.395 -5.315 1.00 0.00 C ATOM 1500 C ARG A 101 -0.754 2.588 -4.707 1.00 0.00 C ATOM 1501 O ARG A 101 -0.789 2.244 -3.527 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.125 4.659 -4.483 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.345 5.841 -5.062 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.085 7.158 -4.821 1.00 0.00 C ATOM 1505 NE ARG A 101 -1.168 8.300 -5.036 1.00 0.00 N ATOM 1506 CZ ARG A 101 -0.188 8.646 -4.189 1.00 0.00 C ATOM 1507 NH1 ARG A 101 0.009 7.940 -3.067 1.00 0.00 N ATOM 1508 NH2 ARG A 101 0.596 9.697 -4.465 1.00 0.00 N ATOM 0 H ARG A 101 -3.586 2.466 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.651 3.684 -6.335 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.188 4.899 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.811 4.481 -3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.356 5.887 -4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.196 5.694 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.938 7.234 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.478 7.183 -3.805 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.289 8.858 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.587 7.139 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.755 8.204 -2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.447 10.234 -5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.342 9.960 -3.821 1.00 0.00 H new ATOM 1522 N ILE A 102 0.237 2.309 -5.542 1.00 0.00 N ATOM 1523 CA ILE A 102 1.394 1.550 -5.101 1.00 0.00 C ATOM 1524 C ILE A 102 2.531 2.514 -4.757 1.00 0.00 C ATOM 1525 O ILE A 102 2.782 3.469 -5.490 1.00 0.00 O ATOM 1526 CB ILE A 102 1.774 0.499 -6.146 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.688 -0.572 -6.267 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.145 -0.108 -5.841 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.627 -1.133 -7.689 1.00 0.00 C ATOM 0 H ILE A 102 0.262 2.595 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 102 1.162 0.994 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 102 1.849 0.993 -7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.888 -1.379 -5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.279 -0.147 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.390 -0.852 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.900 0.678 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.122 -0.583 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.153 -1.892 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.403 -0.328 -8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.588 -1.579 -7.946 1.00 0.00 H new ATOM 1541 N THR A 103 3.188 2.230 -3.642 1.00 0.00 N ATOM 1542 CA THR A 103 4.293 3.060 -3.193 1.00 0.00 C ATOM 1543 C THR A 103 5.334 2.212 -2.460 1.00 0.00 C ATOM 1544 O THR A 103 5.018 1.137 -1.953 1.00 0.00 O ATOM 1545 CB THR A 103 3.717 4.189 -2.335 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.591 4.649 -3.078 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.642 5.405 -2.270 1.00 0.00 C ATOM 0 H THR A 103 2.976 1.437 -3.036 1.00 0.00 H new ATOM 0 HA THR A 103 4.819 3.508 -4.036 1.00 0.00 H new ATOM 0 HB THR A 103 3.531 3.820 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.110 5.326 -2.558 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.186 6.176 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.599 5.111 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.801 5.795 -3.275 1.00 0.00 H new ATOM 1555 N ALA A 104 6.554 2.727 -2.429 1.00 0.00 N ATOM 1556 CA ALA A 104 7.644 2.030 -1.767 1.00 0.00 C ATOM 1557 C ALA A 104 8.070 2.819 -0.528 1.00 0.00 C ATOM 1558 O ALA A 104 7.849 4.027 -0.450 1.00 0.00 O ATOM 1559 CB ALA A 104 8.795 1.827 -2.754 1.00 0.00 C ATOM 0 H ALA A 104 6.812 3.619 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 104 7.323 1.043 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.612 1.304 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.448 1.236 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.146 2.796 -3.108 1.00 0.00 H new ATOM 1565 N GLN A 105 8.675 2.105 0.410 1.00 0.00 N ATOM 1566 CA GLN A 105 9.135 2.724 1.642 1.00 0.00 C ATOM 1567 C GLN A 105 10.650 2.568 1.781 1.00 0.00 C ATOM 1568 O GLN A 105 11.168 1.453 1.753 1.00 0.00 O ATOM 1569 CB GLN A 105 8.410 2.137 2.855 1.00 0.00 C ATOM 1570 CG GLN A 105 8.922 2.760 4.155 1.00 0.00 C ATOM 1571 CD GLN A 105 8.628 1.853 5.351 1.00 0.00 C ATOM 1572 OE1 GLN A 105 8.851 0.654 5.323 1.00 0.00 O ATOM 1573 NE2 GLN A 105 8.117 2.490 6.401 1.00 0.00 N ATOM 0 H GLN A 105 8.857 1.104 0.342 1.00 0.00 H new ATOM 0 HA GLN A 105 8.901 3.788 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.338 2.311 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.556 1.057 2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 105 9.996 2.934 4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.452 3.732 4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.955 3.496 6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.887 1.972 7.249 1.00 0.00 H new ATOM 1582 N THR A 106 11.319 3.702 1.928 1.00 0.00 N ATOM 1583 CA THR A 106 12.765 3.706 2.071 1.00 0.00 C ATOM 1584 C THR A 106 13.171 4.421 3.361 1.00 0.00 C ATOM 1585 O THR A 106 12.328 4.703 4.211 1.00 0.00 O ATOM 1586 CB THR A 106 13.364 4.336 0.812 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.496 5.429 0.525 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.238 3.428 -0.413 1.00 0.00 C ATOM 0 H THR A 106 10.886 4.625 1.951 1.00 0.00 H new ATOM 0 HA THR A 106 13.156 2.693 2.161 1.00 0.00 H new ATOM 0 HB THR A 106 14.415 4.567 0.986 1.00 0.00 H new ATOM 0 HG1 THR A 106 13.006 6.266 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.678 3.922 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.761 2.490 -0.226 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.185 3.224 -0.608 1.00 0.00 H new ATOM 1596 N ARG A 107 14.464 4.695 3.466 1.00 0.00 N ATOM 1597 CA ARG A 107 14.992 5.373 4.638 1.00 0.00 C ATOM 1598 C ARG A 107 14.717 6.875 4.551 1.00 0.00 C ATOM 1599 O ARG A 107 15.055 7.626 5.465 1.00 0.00 O ATOM 1600 CB ARG A 107 16.499 5.144 4.773 1.00 0.00 C ATOM 1601 CG ARG A 107 17.266 5.877 3.671 1.00 0.00 C ATOM 1602 CD ARG A 107 18.775 5.796 3.906 1.00 0.00 C ATOM 1603 NE ARG A 107 19.345 7.158 4.012 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.597 7.419 4.413 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.417 6.414 4.748 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.029 8.686 4.478 1.00 0.00 N ATOM 0 H ARG A 107 15.161 4.460 2.759 1.00 0.00 H new ATOM 0 HA ARG A 107 14.493 4.959 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.837 5.492 5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.714 4.077 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.022 5.442 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.955 6.921 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.980 5.235 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.250 5.257 3.087 1.00 0.00 H new ATOM 0 HE ARG A 107 18.748 7.947 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.089 5.450 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.370 6.613 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.405 9.451 4.222 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.982 8.885 4.783 1.00 0.00 H new ATOM 1620 N LYS A 108 14.105 7.270 3.444 1.00 0.00 N ATOM 1621 CA LYS A 108 13.781 8.669 3.226 1.00 0.00 C ATOM 1622 C LYS A 108 12.291 8.890 3.493 1.00 0.00 C ATOM 1623 O LYS A 108 11.897 9.934 4.011 1.00 0.00 O ATOM 1624 CB LYS A 108 14.229 9.113 1.832 1.00 0.00 C ATOM 1625 CG LYS A 108 15.723 8.856 1.629 1.00 0.00 C ATOM 1626 CD LYS A 108 16.550 9.528 2.726 1.00 0.00 C ATOM 1627 CE LYS A 108 16.252 11.028 2.796 1.00 0.00 C ATOM 1628 NZ LYS A 108 16.665 11.697 1.542 1.00 0.00 N ATOM 0 H LYS A 108 13.825 6.645 2.688 1.00 0.00 H new ATOM 0 HA LYS A 108 14.328 9.300 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.658 8.576 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.017 10.174 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.914 7.783 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 108 16.031 9.233 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.330 9.065 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.611 9.373 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.187 11.186 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.778 11.470 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.599 12.728 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.646 11.436 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.040 11.397 0.767 1.00 0.00 H new ATOM 1642 N GLY A 109 11.502 7.890 3.126 1.00 0.00 N ATOM 1643 CA GLY A 109 10.064 7.962 3.319 1.00 0.00 C ATOM 1644 C GLY A 109 9.323 7.241 2.192 1.00 0.00 C ATOM 1645 O GLY A 109 9.746 6.174 1.749 1.00 0.00 O ATOM 0 H GLY A 109 11.832 7.026 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.799 7.515 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.750 9.005 3.356 1.00 0.00 H new ATOM 1649 N TRP A 110 8.229 7.852 1.760 1.00 0.00 N ATOM 1650 CA TRP A 110 7.425 7.282 0.692 1.00 0.00 C ATOM 1651 C TRP A 110 7.551 8.191 -0.532 1.00 0.00 C ATOM 1652 O TRP A 110 7.050 9.314 -0.530 1.00 0.00 O ATOM 1653 CB TRP A 110 5.977 7.083 1.143 1.00 0.00 C ATOM 1654 CG TRP A 110 5.811 6.066 2.274 1.00 0.00 C ATOM 1655 CD1 TRP A 110 5.890 6.280 3.594 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.532 4.657 2.129 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.683 5.117 4.308 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.459 4.099 3.389 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.348 3.880 0.971 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.201 2.741 3.612 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.091 2.525 1.211 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.014 1.948 2.473 1.00 0.00 C ATOM 0 H TRP A 110 7.881 8.736 2.130 1.00 0.00 H new ATOM 0 HA TRP A 110 7.786 6.289 0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.574 8.042 1.469 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.382 6.761 0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.090 7.242 4.043 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.693 5.022 5.324 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.401 4.296 -0.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.149 2.328 4.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.942 1.883 0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.811 0.892 2.575 1.00 0.00 H new ATOM 1673 N GLY A 111 8.223 7.671 -1.549 1.00 0.00 N ATOM 1674 CA GLY A 111 8.421 8.421 -2.777 1.00 0.00 C ATOM 1675 C GLY A 111 7.157 8.403 -3.641 1.00 0.00 C ATOM 1676 O GLY A 111 6.049 8.273 -3.123 1.00 0.00 O ATOM 0 H GLY A 111 8.637 6.739 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.689 9.451 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.254 7.996 -3.337 1.00 0.00 H new ATOM 1680 N GLU A 112 7.367 8.535 -4.942 1.00 0.00 N ATOM 1681 CA GLU A 112 6.259 8.536 -5.882 1.00 0.00 C ATOM 1682 C GLU A 112 5.368 7.313 -5.653 1.00 0.00 C ATOM 1683 O GLU A 112 5.773 6.362 -4.986 1.00 0.00 O ATOM 1684 CB GLU A 112 6.765 8.584 -7.325 1.00 0.00 C ATOM 1685 CG GLU A 112 6.241 9.826 -8.049 1.00 0.00 C ATOM 1686 CD GLU A 112 7.379 10.572 -8.750 1.00 0.00 C ATOM 1687 OE1 GLU A 112 8.475 10.626 -8.152 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.126 11.070 -9.868 1.00 0.00 O ATOM 0 H GLU A 112 8.288 8.642 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 112 5.663 9.432 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.855 8.587 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.446 7.687 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.487 9.534 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.752 10.489 -7.335 1.00 0.00 H new ATOM 1695 N ALA A 113 4.172 7.378 -6.219 1.00 0.00 N ATOM 1696 CA ALA A 113 3.220 6.288 -6.085 1.00 0.00 C ATOM 1697 C ALA A 113 2.513 6.067 -7.424 1.00 0.00 C ATOM 1698 O ALA A 113 2.132 7.025 -8.094 1.00 0.00 O ATOM 1699 CB ALA A 113 2.241 6.602 -4.953 1.00 0.00 C ATOM 0 H ALA A 113 3.840 8.169 -6.772 1.00 0.00 H new ATOM 0 HA ALA A 113 3.731 5.361 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.527 5.785 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.791 6.721 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.707 7.525 -5.179 1.00 0.00 H new ATOM 1705 N ALA A 114 2.359 4.798 -7.773 1.00 0.00 N ATOM 1706 CA ALA A 114 1.704 4.439 -9.019 1.00 0.00 C ATOM 1707 C ALA A 114 0.206 4.255 -8.768 1.00 0.00 C ATOM 1708 O ALA A 114 -0.193 3.425 -7.953 1.00 0.00 O ATOM 1709 CB ALA A 114 2.358 3.182 -9.596 1.00 0.00 C ATOM 0 H ALA A 114 2.677 4.006 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 114 1.819 5.234 -9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.867 2.913 -10.531 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.414 3.375 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.260 2.362 -8.885 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.583 5.042 -9.484 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.028 4.976 -9.349 1.00 0.00 C ATOM 1717 C GLU A 115 -2.632 4.163 -10.497 1.00 0.00 C ATOM 1718 O GLU A 115 -2.421 4.482 -11.666 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.639 6.378 -9.290 1.00 0.00 C ATOM 1720 CG GLU A 115 -2.958 6.776 -7.848 1.00 0.00 C ATOM 1721 CD GLU A 115 -4.003 7.893 -7.806 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.236 8.492 -8.878 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -4.544 8.123 -6.703 1.00 0.00 O ATOM 0 H GLU A 115 -0.249 5.729 -10.160 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.262 4.474 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.947 7.099 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.549 6.408 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.326 5.908 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.047 7.106 -7.348 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.371 3.129 -10.122 1.00 0.00 N ATOM 1731 CA ALA A 116 -4.007 2.269 -11.106 1.00 0.00 C ATOM 1732 C ALA A 116 -5.437 1.960 -10.658 1.00 0.00 C ATOM 1733 O ALA A 116 -5.653 1.480 -9.547 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.168 1.002 -11.294 1.00 0.00 C ATOM 0 H ALA A 116 -3.543 2.867 -9.151 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.065 2.769 -12.073 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.644 0.356 -12.032 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.171 1.274 -11.640 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.091 0.472 -10.344 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.376 2.248 -11.547 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.779 2.007 -11.258 1.00 0.00 C ATOM 1742 C LEU A 117 -8.176 0.628 -11.789 1.00 0.00 C ATOM 1743 O LEU A 117 -7.683 0.194 -12.829 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.642 3.147 -11.803 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.457 4.509 -11.131 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.282 5.615 -12.173 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.608 4.806 -10.167 1.00 0.00 C ATOM 0 H LEU A 117 -6.193 2.646 -12.468 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.949 1.995 -10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.433 3.258 -12.867 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.689 2.859 -11.712 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.542 4.477 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.152 6.573 -11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.404 5.404 -12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.165 5.657 -12.811 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.452 5.780 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.550 4.812 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.643 4.038 -9.395 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.062 -0.023 -11.049 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.530 -1.344 -11.433 1.00 0.00 C ATOM 1761 C VAL A 118 -10.996 -1.500 -11.023 1.00 0.00 C ATOM 1762 O VAL A 118 -11.342 -1.312 -9.858 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.623 -2.417 -10.826 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.538 -2.268 -9.306 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.096 -3.819 -11.215 1.00 0.00 C ATOM 0 H VAL A 118 -9.468 0.340 -10.186 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.480 -1.468 -12.515 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.621 -2.277 -11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.887 -3.043 -8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.132 -1.287 -9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.534 -2.368 -8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.434 -4.563 -10.771 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.112 -3.974 -10.852 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.079 -3.921 -12.300 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.818 -1.842 -12.004 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.239 -2.025 -11.761 1.00 0.00 C ATOM 1777 C VAL A 119 -13.485 -3.446 -11.252 1.00 0.00 C ATOM 1778 O VAL A 119 -12.837 -4.391 -11.700 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.033 -1.696 -13.026 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.421 -2.338 -12.984 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.135 -0.184 -13.233 1.00 0.00 C ATOM 0 H VAL A 119 -11.527 -1.997 -12.969 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.587 -1.339 -10.989 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.495 -2.114 -13.877 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.965 -2.089 -13.895 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.319 -3.420 -12.907 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.969 -1.963 -12.120 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.704 0.022 -14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.638 0.267 -12.378 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.135 0.238 -13.329 1.00 0.00 H new ATOM 1791 N THR A 120 -14.425 -3.554 -10.324 1.00 0.00 N ATOM 1792 CA THR A 120 -14.765 -4.844 -9.749 1.00 0.00 C ATOM 1793 C THR A 120 -16.001 -5.426 -10.439 1.00 0.00 C ATOM 1794 O THR A 120 -17.093 -4.871 -10.335 1.00 0.00 O ATOM 1795 CB THR A 120 -14.942 -4.659 -8.241 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.566 -3.383 -8.119 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.608 -4.493 -7.511 1.00 0.00 C ATOM 0 H THR A 120 -14.962 -2.769 -9.956 1.00 0.00 H new ATOM 0 HA THR A 120 -13.969 -5.571 -9.910 1.00 0.00 H new ATOM 0 HB THR A 120 -15.476 -5.516 -7.830 1.00 0.00 H new ATOM 0 HG1 THR A 120 -15.750 -3.198 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 120 -13.791 -4.365 -6.444 1.00 0.00 H new ATOM 0 HG22 THR A 120 -12.993 -5.379 -7.670 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.088 -3.616 -7.898 1.00 0.00 H new ATOM 1805 N THR A 121 -15.786 -6.536 -11.129 1.00 0.00 N ATOM 1806 CA THR A 121 -16.869 -7.199 -11.836 1.00 0.00 C ATOM 1807 C THR A 121 -16.385 -8.522 -12.433 1.00 0.00 C ATOM 1808 O THR A 121 -15.184 -8.783 -12.482 1.00 0.00 O ATOM 1809 CB THR A 121 -17.417 -6.225 -12.881 1.00 0.00 C ATOM 1810 OG1 THR A 121 -18.470 -6.949 -13.512 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.421 -5.957 -14.011 1.00 0.00 C ATOM 0 H THR A 121 -14.878 -6.993 -11.214 1.00 0.00 H new ATOM 0 HA THR A 121 -17.681 -7.462 -11.158 1.00 0.00 H new ATOM 0 HB THR A 121 -17.679 -5.284 -12.397 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.883 -6.390 -14.203 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.860 -5.260 -14.725 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.509 -5.527 -13.598 1.00 0.00 H new ATOM 0 HG23 THR A 121 -16.184 -6.893 -14.517 1.00 0.00 H new