USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 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= 0.206 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 26:sc= 0.859 USER MOD Single : A 49 GLN : amide:sc=-0.00392 X(o=-0.0039,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.41! C(o=-1.4!,f=-2.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.2) USER MOD Single : A 64 THR OG1 : rot -0:sc= -0.54! USER MOD Single : A 65 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.25) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 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 15:sc= 0.211 USER MOD Single : A 98 TYR OH : rot 180:sc= 0.857 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.825 USER MOD Single : A 105 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.3) USER MOD Single : A 106 THR OG1 : rot 110:sc= -1.26 USER MOD Single : A 108 LYS NZ :NH3+ -170:sc=-0.00161 (180deg=-0.12) USER MOD Single : A 120 THR OG1 : rot 166:sc= 1.09 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 14.162 9.209 -1.708 1.00 0.00 N ATOM 351 CA VAL A 27 13.089 8.241 -1.856 1.00 0.00 C ATOM 352 C VAL A 27 13.029 7.772 -3.312 1.00 0.00 C ATOM 353 O VAL A 27 13.521 8.455 -4.208 1.00 0.00 O ATOM 354 CB VAL A 27 11.770 8.843 -1.367 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.747 8.943 0.160 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.518 10.208 -2.010 1.00 0.00 C ATOM 0 HA VAL A 27 13.278 7.363 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 27 10.964 8.176 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.799 9.374 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.859 7.948 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.567 9.578 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.574 10.613 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.329 10.888 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.470 10.097 -3.093 1.00 0.00 H new ATOM 366 N PRO A 28 12.405 6.579 -3.506 1.00 0.00 N ATOM 367 CA PRO A 28 12.273 6.012 -4.837 1.00 0.00 C ATOM 368 C PRO A 28 11.198 6.744 -5.642 1.00 0.00 C ATOM 369 O PRO A 28 10.489 7.595 -5.107 1.00 0.00 O ATOM 370 CB PRO A 28 11.947 4.545 -4.608 1.00 0.00 C ATOM 371 CG PRO A 28 11.451 4.446 -3.175 1.00 0.00 C ATOM 372 CD PRO A 28 11.810 5.743 -2.467 1.00 0.00 C ATOM 0 HA PRO A 28 13.181 6.118 -5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.187 4.200 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.828 3.921 -4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.373 4.285 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.910 3.596 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.928 6.216 -2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.510 5.568 -1.650 1.00 0.00 H new ATOM 380 N GLY A 29 11.112 6.387 -6.915 1.00 0.00 N ATOM 381 CA GLY A 29 10.135 7.000 -7.799 1.00 0.00 C ATOM 382 C GLY A 29 8.822 6.216 -7.794 1.00 0.00 C ATOM 383 O GLY A 29 8.610 5.358 -6.937 1.00 0.00 O ATOM 0 H GLY A 29 11.702 5.681 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.950 8.027 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.533 7.043 -8.813 1.00 0.00 H new ATOM 387 N PRO A 30 7.951 6.546 -8.784 1.00 0.00 N ATOM 388 CA PRO A 30 6.663 5.882 -8.901 1.00 0.00 C ATOM 389 C PRO A 30 6.824 4.469 -9.466 1.00 0.00 C ATOM 390 O PRO A 30 7.588 4.256 -10.407 1.00 0.00 O ATOM 391 CB PRO A 30 5.833 6.789 -9.795 1.00 0.00 C ATOM 392 CG PRO A 30 6.826 7.682 -10.520 1.00 0.00 C ATOM 393 CD PRO A 30 8.167 7.556 -9.816 1.00 0.00 C ATOM 0 HA PRO A 30 6.174 5.739 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.243 6.206 -10.502 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.132 7.381 -9.207 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.914 7.385 -11.565 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.486 8.717 -10.511 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.951 7.252 -10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.477 8.506 -9.381 1.00 0.00 H new ATOM 401 N PRO A 31 6.073 3.516 -8.853 1.00 0.00 N ATOM 402 CA PRO A 31 6.124 2.130 -9.285 1.00 0.00 C ATOM 403 C PRO A 31 5.362 1.936 -10.598 1.00 0.00 C ATOM 404 O PRO A 31 4.133 1.974 -10.618 1.00 0.00 O ATOM 405 CB PRO A 31 5.533 1.336 -8.132 1.00 0.00 C ATOM 406 CG PRO A 31 4.749 2.336 -7.297 1.00 0.00 C ATOM 407 CD PRO A 31 5.157 3.732 -7.737 1.00 0.00 C ATOM 0 HA PRO A 31 7.138 1.795 -9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.885 0.539 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.317 0.863 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.677 2.191 -7.434 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.957 2.194 -6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.291 4.319 -8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.642 4.277 -6.927 1.00 0.00 H new ATOM 415 N MET A 32 6.124 1.731 -11.662 1.00 0.00 N ATOM 416 CA MET A 32 5.536 1.531 -12.976 1.00 0.00 C ATOM 417 C MET A 32 5.273 0.046 -13.238 1.00 0.00 C ATOM 418 O MET A 32 5.753 -0.813 -12.500 1.00 0.00 O ATOM 419 CB MET A 32 6.480 2.079 -14.047 1.00 0.00 C ATOM 420 CG MET A 32 7.895 1.525 -13.866 1.00 0.00 C ATOM 421 SD MET A 32 8.813 1.686 -15.389 1.00 0.00 S ATOM 422 CE MET A 32 10.411 1.103 -14.851 1.00 0.00 C ATOM 0 H MET A 32 7.143 1.699 -11.641 1.00 0.00 H new ATOM 0 HA MET A 32 4.585 2.062 -13.012 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.106 1.815 -15.036 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.502 3.168 -13.995 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.405 2.062 -13.066 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.849 0.477 -13.568 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.111 1.137 -15.686 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.777 1.738 -14.044 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.323 0.077 -14.494 1.00 0.00 H new ATOM 432 N GLY A 33 4.512 -0.210 -14.292 1.00 0.00 N ATOM 433 CA GLY A 33 4.179 -1.575 -14.661 1.00 0.00 C ATOM 434 C GLY A 33 3.002 -2.096 -13.834 1.00 0.00 C ATOM 435 O GLY A 33 3.060 -3.197 -13.289 1.00 0.00 O ATOM 0 H GLY A 33 4.116 0.505 -14.902 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.930 -1.618 -15.721 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.046 -2.218 -14.511 1.00 0.00 H new ATOM 439 N ILE A 34 1.961 -1.279 -13.766 1.00 0.00 N ATOM 440 CA ILE A 34 0.772 -1.643 -13.014 1.00 0.00 C ATOM 441 C ILE A 34 -0.237 -2.305 -13.954 1.00 0.00 C ATOM 442 O ILE A 34 -0.760 -1.661 -14.863 1.00 0.00 O ATOM 443 CB ILE A 34 0.215 -0.427 -12.271 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.344 0.415 -11.673 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.806 -0.851 -11.213 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.232 -0.429 -10.757 1.00 0.00 C ATOM 0 H ILE A 34 1.916 -0.366 -14.219 1.00 0.00 H new ATOM 0 HA ILE A 34 1.017 -2.374 -12.243 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.309 0.202 -12.990 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.946 0.844 -12.474 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.922 1.248 -11.110 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.186 0.032 -10.700 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.632 -1.375 -11.694 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.328 -1.513 -10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.026 0.194 -10.345 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.632 -0.837 -9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.671 -1.246 -11.329 1.00 0.00 H new ATOM 458 N LEU A 35 -0.482 -3.583 -13.703 1.00 0.00 N ATOM 459 CA LEU A 35 -1.419 -4.339 -14.516 1.00 0.00 C ATOM 460 C LEU A 35 -2.341 -5.149 -13.602 1.00 0.00 C ATOM 461 O LEU A 35 -1.951 -5.529 -12.500 1.00 0.00 O ATOM 462 CB LEU A 35 -0.672 -5.189 -15.545 1.00 0.00 C ATOM 463 CG LEU A 35 0.057 -4.419 -16.648 1.00 0.00 C ATOM 464 CD1 LEU A 35 0.813 -5.373 -17.576 1.00 0.00 C ATOM 465 CD2 LEU A 35 -0.909 -3.517 -17.418 1.00 0.00 C ATOM 0 H LEU A 35 -0.048 -4.114 -12.948 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.052 -3.665 -15.093 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.056 -5.806 -15.018 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.385 -5.867 -16.013 1.00 0.00 H new ATOM 0 HG LEU A 35 0.798 -3.771 -16.179 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.322 -4.800 -18.351 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.547 -5.936 -16.999 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.109 -6.064 -18.040 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.365 -2.981 -18.196 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.690 -4.126 -17.875 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.362 -2.800 -16.733 1.00 0.00 H new ATOM 477 N PHE A 36 -3.547 -5.390 -14.095 1.00 0.00 N ATOM 478 CA PHE A 36 -4.528 -6.148 -13.337 1.00 0.00 C ATOM 479 C PHE A 36 -4.857 -7.469 -14.034 1.00 0.00 C ATOM 480 O PHE A 36 -5.747 -7.524 -14.881 1.00 0.00 O ATOM 481 CB PHE A 36 -5.795 -5.294 -13.264 1.00 0.00 C ATOM 482 CG PHE A 36 -5.695 -4.112 -12.298 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.976 -4.287 -10.979 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.324 -2.887 -12.757 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.883 -3.190 -10.081 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.231 -1.790 -11.860 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.513 -1.965 -10.541 1.00 0.00 C ATOM 0 H PHE A 36 -3.867 -5.074 -15.010 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.136 -6.378 -12.347 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.024 -4.917 -14.261 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.630 -5.926 -12.963 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.270 -5.260 -10.614 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.100 -2.748 -13.804 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.106 -3.329 -9.033 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.936 -0.817 -12.225 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.443 -1.131 -9.859 1.00 0.00 H new ATOM 497 N PRO A 37 -4.102 -8.530 -13.641 1.00 0.00 N ATOM 498 CA PRO A 37 -4.304 -9.848 -14.218 1.00 0.00 C ATOM 499 C PRO A 37 -5.572 -10.501 -13.663 1.00 0.00 C ATOM 500 O PRO A 37 -6.417 -10.969 -14.424 1.00 0.00 O ATOM 501 CB PRO A 37 -3.041 -10.623 -13.882 1.00 0.00 C ATOM 502 CG PRO A 37 -2.381 -9.870 -12.738 1.00 0.00 C ATOM 503 CD PRO A 37 -3.039 -8.503 -12.640 1.00 0.00 C ATOM 0 HA PRO A 37 -4.460 -9.815 -15.296 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.277 -11.647 -13.591 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.378 -10.682 -14.745 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.497 -10.418 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.311 -9.767 -12.916 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.440 -8.327 -11.642 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.325 -7.705 -12.842 1.00 0.00 H new ATOM 511 N GLU A 38 -5.664 -10.511 -12.341 1.00 0.00 N ATOM 512 CA GLU A 38 -6.814 -11.098 -11.675 1.00 0.00 C ATOM 513 C GLU A 38 -7.616 -10.017 -10.948 1.00 0.00 C ATOM 514 O GLU A 38 -7.117 -9.393 -10.012 1.00 0.00 O ATOM 515 CB GLU A 38 -6.383 -12.204 -10.710 1.00 0.00 C ATOM 516 CG GLU A 38 -7.573 -12.716 -9.896 1.00 0.00 C ATOM 517 CD GLU A 38 -7.111 -13.660 -8.784 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.537 -13.141 -7.802 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.342 -14.878 -8.941 1.00 0.00 O ATOM 0 H GLU A 38 -4.961 -10.122 -11.713 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.455 -11.551 -12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.940 -13.027 -11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.614 -11.825 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.111 -11.873 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.271 -13.236 -10.553 1.00 0.00 H new ATOM 526 N VAL A 39 -8.845 -9.829 -11.405 1.00 0.00 N ATOM 527 CA VAL A 39 -9.721 -8.834 -10.809 1.00 0.00 C ATOM 528 C VAL A 39 -11.144 -9.390 -10.738 1.00 0.00 C ATOM 529 O VAL A 39 -11.758 -9.667 -11.768 1.00 0.00 O ATOM 530 CB VAL A 39 -9.630 -7.522 -11.590 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.698 -6.531 -11.123 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.230 -6.913 -11.478 1.00 0.00 C ATOM 0 H VAL A 39 -9.255 -10.349 -12.181 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.408 -8.612 -9.789 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.816 -7.744 -12.641 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.611 -5.607 -11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.687 -6.962 -11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.558 -6.317 -10.063 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.192 -5.981 -12.042 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.003 -6.713 -10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.496 -7.611 -11.881 1.00 0.00 H new ATOM 542 N ARG A 40 -11.628 -9.538 -9.513 1.00 0.00 N ATOM 543 CA ARG A 40 -12.967 -10.056 -9.295 1.00 0.00 C ATOM 544 C ARG A 40 -13.883 -8.953 -8.760 1.00 0.00 C ATOM 545 O ARG A 40 -13.538 -7.774 -8.817 1.00 0.00 O ATOM 546 CB ARG A 40 -12.952 -11.222 -8.304 1.00 0.00 C ATOM 547 CG ARG A 40 -11.629 -11.987 -8.377 1.00 0.00 C ATOM 548 CD ARG A 40 -11.549 -13.049 -7.280 1.00 0.00 C ATOM 549 NE ARG A 40 -12.246 -14.280 -7.715 1.00 0.00 N ATOM 550 CZ ARG A 40 -13.563 -14.487 -7.577 1.00 0.00 C ATOM 551 NH1 ARG A 40 -14.333 -13.545 -7.014 1.00 0.00 N ATOM 552 NH2 ARG A 40 -14.109 -15.634 -8.001 1.00 0.00 N ATOM 0 H ARG A 40 -11.116 -9.308 -8.661 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.344 -10.413 -10.253 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.103 -10.846 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.779 -11.898 -8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.532 -12.460 -9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.796 -11.291 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.506 -13.272 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.000 -12.671 -6.363 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.689 -15.017 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.916 -12.672 -6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.335 -13.702 -6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.523 -16.350 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.111 -15.791 -7.896 1.00 0.00 H new ATOM 566 N THR A 41 -15.032 -9.376 -8.253 1.00 0.00 N ATOM 567 CA THR A 41 -15.999 -8.438 -7.709 1.00 0.00 C ATOM 568 C THR A 41 -15.502 -7.871 -6.377 1.00 0.00 C ATOM 569 O THR A 41 -14.946 -6.775 -6.334 1.00 0.00 O ATOM 570 CB THR A 41 -17.344 -9.158 -7.598 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.992 -10.526 -7.408 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.122 -9.153 -8.916 1.00 0.00 C ATOM 0 H THR A 41 -15.315 -10.355 -8.208 1.00 0.00 H new ATOM 0 HA THR A 41 -16.127 -7.577 -8.365 1.00 0.00 H new ATOM 0 HB THR A 41 -17.944 -8.686 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.806 -11.065 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.068 -9.677 -8.782 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.316 -8.124 -9.220 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.536 -9.654 -9.686 1.00 0.00 H new ATOM 580 N THR A 42 -15.719 -8.645 -5.324 1.00 0.00 N ATOM 581 CA THR A 42 -15.299 -8.233 -3.995 1.00 0.00 C ATOM 582 C THR A 42 -13.878 -8.722 -3.709 1.00 0.00 C ATOM 583 O THR A 42 -13.507 -8.920 -2.553 1.00 0.00 O ATOM 584 CB THR A 42 -16.333 -8.750 -2.992 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.158 -10.164 -3.010 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.770 -8.546 -3.475 1.00 0.00 C ATOM 0 H THR A 42 -16.180 -9.554 -5.364 1.00 0.00 H new ATOM 0 HA THR A 42 -15.258 -7.147 -3.912 1.00 0.00 H new ATOM 0 HB THR A 42 -16.196 -8.244 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.789 -10.580 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.463 -8.930 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.955 -7.483 -3.629 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.917 -9.080 -4.414 1.00 0.00 H new ATOM 594 N SER A 43 -13.122 -8.904 -4.781 1.00 0.00 N ATOM 595 CA SER A 43 -11.750 -9.366 -4.660 1.00 0.00 C ATOM 596 C SER A 43 -10.996 -9.116 -5.968 1.00 0.00 C ATOM 597 O SER A 43 -11.520 -9.378 -7.050 1.00 0.00 O ATOM 598 CB SER A 43 -11.699 -10.851 -4.293 1.00 0.00 C ATOM 599 OG SER A 43 -11.868 -11.061 -2.894 1.00 0.00 O ATOM 0 H SER A 43 -13.434 -8.740 -5.738 1.00 0.00 H new ATOM 0 HA SER A 43 -11.270 -8.805 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.478 -11.386 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.744 -11.270 -4.610 1.00 0.00 H new ATOM 0 HG SER A 43 -12.376 -10.316 -2.510 1.00 0.00 H new ATOM 605 N VAL A 44 -9.779 -8.613 -5.826 1.00 0.00 N ATOM 606 CA VAL A 44 -8.948 -8.325 -6.983 1.00 0.00 C ATOM 607 C VAL A 44 -7.486 -8.618 -6.640 1.00 0.00 C ATOM 608 O VAL A 44 -7.153 -8.864 -5.482 1.00 0.00 O ATOM 609 CB VAL A 44 -9.177 -6.885 -7.446 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.648 -6.490 -7.303 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.272 -5.914 -6.685 1.00 0.00 C ATOM 0 H VAL A 44 -9.348 -8.397 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.221 -8.968 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.916 -6.828 -8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.783 -5.462 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.264 -7.154 -7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.947 -6.572 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.455 -4.897 -7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.487 -5.976 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.229 -6.176 -6.861 1.00 0.00 H new ATOM 621 N ARG A 45 -6.652 -8.582 -7.669 1.00 0.00 N ATOM 622 CA ARG A 45 -5.233 -8.840 -7.492 1.00 0.00 C ATOM 623 C ARG A 45 -4.434 -8.225 -8.643 1.00 0.00 C ATOM 624 O ARG A 45 -4.480 -8.719 -9.768 1.00 0.00 O ATOM 625 CB ARG A 45 -4.950 -10.342 -7.429 1.00 0.00 C ATOM 626 CG ARG A 45 -3.460 -10.611 -7.209 1.00 0.00 C ATOM 627 CD ARG A 45 -3.049 -11.952 -7.819 1.00 0.00 C ATOM 628 NE ARG A 45 -3.213 -13.033 -6.822 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.832 -14.303 -7.020 1.00 0.00 C ATOM 630 NH1 ARG A 45 -2.264 -14.658 -8.181 1.00 0.00 N ATOM 631 NH2 ARG A 45 -3.020 -15.217 -6.059 1.00 0.00 N ATOM 0 H ARG A 45 -6.932 -8.378 -8.628 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.928 -8.385 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.527 -10.791 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.276 -10.816 -8.355 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.872 -9.809 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.241 -10.611 -6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.657 -12.162 -8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.012 -11.907 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.643 -12.797 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.122 -13.962 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.974 -15.624 -8.332 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.453 -14.947 -5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.730 -16.183 -6.210 1.00 0.00 H new ATOM 645 N LEU A 46 -3.720 -7.156 -8.321 1.00 0.00 N ATOM 646 CA LEU A 46 -2.912 -6.469 -9.313 1.00 0.00 C ATOM 647 C LEU A 46 -1.432 -6.746 -9.041 1.00 0.00 C ATOM 648 O LEU A 46 -1.082 -7.294 -7.997 1.00 0.00 O ATOM 649 CB LEU A 46 -3.262 -4.980 -9.351 1.00 0.00 C ATOM 650 CG LEU A 46 -2.454 -4.077 -8.416 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.431 -2.636 -8.929 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.978 -4.166 -6.981 1.00 0.00 C ATOM 0 H LEU A 46 -3.685 -6.749 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.129 -6.850 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.131 -4.622 -10.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.319 -4.869 -9.107 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.423 -4.431 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.850 -2.016 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.976 -2.609 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.450 -2.254 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.387 -3.515 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.022 -3.852 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.899 -5.194 -6.628 1.00 0.00 H new ATOM 664 N ILE A 47 -0.604 -6.356 -9.999 1.00 0.00 N ATOM 665 CA ILE A 47 0.830 -6.556 -9.875 1.00 0.00 C ATOM 666 C ILE A 47 1.559 -5.297 -10.349 1.00 0.00 C ATOM 667 O ILE A 47 1.141 -4.660 -11.315 1.00 0.00 O ATOM 668 CB ILE A 47 1.259 -7.828 -10.610 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.423 -7.567 -12.108 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.286 -8.976 -10.331 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.084 -7.204 -12.752 1.00 0.00 C ATOM 0 H ILE A 47 -0.899 -5.903 -10.864 1.00 0.00 H new ATOM 0 HA ILE A 47 1.104 -6.710 -8.831 1.00 0.00 H new ATOM 0 HB ILE A 47 2.234 -8.131 -10.228 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.136 -6.758 -12.264 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.835 -8.453 -12.592 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.613 -9.868 -10.865 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.263 -9.181 -9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.712 -8.697 -10.668 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.230 -7.024 -13.817 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.620 -8.025 -12.616 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.313 -6.304 -12.283 1.00 0.00 H new ATOM 683 N TRP A 48 2.636 -4.976 -9.648 1.00 0.00 N ATOM 684 CA TRP A 48 3.427 -3.804 -9.985 1.00 0.00 C ATOM 685 C TRP A 48 4.897 -4.225 -10.037 1.00 0.00 C ATOM 686 O TRP A 48 5.223 -5.386 -9.792 1.00 0.00 O ATOM 687 CB TRP A 48 3.166 -2.665 -8.998 1.00 0.00 C ATOM 688 CG TRP A 48 3.652 -2.950 -7.575 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.790 -2.545 -6.995 1.00 0.00 C ATOM 690 CD2 TRP A 48 2.962 -3.723 -6.570 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.884 -2.999 -5.696 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.738 -3.738 -5.429 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.724 -4.387 -6.624 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.362 -4.403 -4.256 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.363 -5.047 -5.444 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.132 -5.072 -4.286 1.00 0.00 C ATOM 0 H TRP A 48 2.980 -5.507 -8.848 1.00 0.00 H new ATOM 0 HA TRP A 48 3.142 -3.414 -10.962 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.655 -1.762 -9.364 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.096 -2.460 -8.971 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.539 -1.939 -7.483 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.654 -2.824 -5.050 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.101 -4.388 -7.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.987 -4.400 -3.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.420 -5.574 -5.432 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.783 -5.605 -3.414 1.00 0.00 H new ATOM 707 N GLN A 49 5.745 -3.259 -10.358 1.00 0.00 N ATOM 708 CA GLN A 49 7.172 -3.515 -10.446 1.00 0.00 C ATOM 709 C GLN A 49 7.953 -2.424 -9.710 1.00 0.00 C ATOM 710 O GLN A 49 7.424 -1.345 -9.450 1.00 0.00 O ATOM 711 CB GLN A 49 7.622 -3.623 -11.904 1.00 0.00 C ATOM 712 CG GLN A 49 7.495 -5.060 -12.413 1.00 0.00 C ATOM 713 CD GLN A 49 7.122 -5.086 -13.896 1.00 0.00 C ATOM 714 OE1 GLN A 49 7.734 -4.436 -14.728 1.00 0.00 O ATOM 715 NE2 GLN A 49 6.087 -5.872 -14.181 1.00 0.00 N ATOM 0 H GLN A 49 5.471 -2.298 -10.560 1.00 0.00 H new ATOM 0 HA GLN A 49 7.380 -4.471 -9.965 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.019 -2.959 -12.524 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.656 -3.292 -11.994 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.437 -5.587 -12.262 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.737 -5.589 -11.835 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.619 -6.389 -13.437 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.762 -5.958 -15.144 1.00 0.00 H new ATOM 724 N PRO A 50 9.233 -2.752 -9.387 1.00 0.00 N ATOM 725 CA PRO A 50 10.092 -1.813 -8.687 1.00 0.00 C ATOM 726 C PRO A 50 10.576 -0.707 -9.627 1.00 0.00 C ATOM 727 O PRO A 50 10.667 -0.911 -10.836 1.00 0.00 O ATOM 728 CB PRO A 50 11.227 -2.657 -8.130 1.00 0.00 C ATOM 729 CG PRO A 50 11.211 -3.953 -8.925 1.00 0.00 C ATOM 730 CD PRO A 50 9.893 -4.021 -9.679 1.00 0.00 C ATOM 0 HA PRO A 50 9.574 -1.287 -7.885 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.183 -2.145 -8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.085 -2.849 -7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.050 -3.985 -9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.315 -4.810 -8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.055 -4.146 -10.750 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.290 -4.866 -9.347 1.00 0.00 H new ATOM 738 N PRO A 51 10.882 0.471 -9.019 1.00 0.00 N ATOM 739 CA PRO A 51 11.354 1.610 -9.788 1.00 0.00 C ATOM 740 C PRO A 51 12.809 1.415 -10.219 1.00 0.00 C ATOM 741 O PRO A 51 13.691 1.243 -9.379 1.00 0.00 O ATOM 742 CB PRO A 51 11.161 2.809 -8.875 1.00 0.00 C ATOM 743 CG PRO A 51 11.025 2.245 -7.470 1.00 0.00 C ATOM 744 CD PRO A 51 10.786 0.749 -7.589 1.00 0.00 C ATOM 0 HA PRO A 51 10.805 1.744 -10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.009 3.491 -8.942 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.273 3.375 -9.156 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.927 2.442 -6.891 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.198 2.723 -6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.528 0.183 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.808 0.472 -7.196 1.00 0.00 H new ATOM 752 N ALA A 52 13.015 1.447 -11.528 1.00 0.00 N ATOM 753 CA ALA A 52 14.348 1.276 -12.080 1.00 0.00 C ATOM 754 C ALA A 52 15.345 2.094 -11.257 1.00 0.00 C ATOM 755 O ALA A 52 16.517 1.733 -11.158 1.00 0.00 O ATOM 756 CB ALA A 52 14.344 1.676 -13.557 1.00 0.00 C ATOM 0 H ALA A 52 12.281 1.589 -12.222 1.00 0.00 H new ATOM 0 HA ALA A 52 14.655 0.231 -12.026 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.344 1.548 -13.971 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.642 1.046 -14.103 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.044 2.720 -13.651 1.00 0.00 H new ATOM 762 N ALA A 53 14.844 3.180 -10.687 1.00 0.00 N ATOM 763 CA ALA A 53 15.676 4.052 -9.876 1.00 0.00 C ATOM 764 C ALA A 53 15.154 4.054 -8.437 1.00 0.00 C ATOM 765 O ALA A 53 14.379 4.929 -8.056 1.00 0.00 O ATOM 766 CB ALA A 53 15.698 5.453 -10.490 1.00 0.00 C ATOM 0 H ALA A 53 13.871 3.476 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 53 16.704 3.690 -9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.322 6.107 -9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.104 5.401 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.684 5.850 -10.526 1.00 0.00 H new ATOM 772 N PRO A 54 15.612 3.037 -7.658 1.00 0.00 N ATOM 773 CA PRO A 54 15.200 2.914 -6.270 1.00 0.00 C ATOM 774 C PRO A 54 15.907 3.950 -5.394 1.00 0.00 C ATOM 775 O PRO A 54 15.327 4.458 -4.436 1.00 0.00 O ATOM 776 CB PRO A 54 15.536 1.483 -5.886 1.00 0.00 C ATOM 777 CG PRO A 54 16.543 0.999 -6.918 1.00 0.00 C ATOM 778 CD PRO A 54 16.531 1.983 -8.076 1.00 0.00 C ATOM 0 HA PRO A 54 14.138 3.112 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.954 1.437 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.643 0.858 -5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.539 0.937 -6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.284 -0.002 -7.264 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.528 2.380 -8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.195 1.507 -8.997 1.00 0.00 H new ATOM 786 N ASN A 55 17.150 4.234 -5.755 1.00 0.00 N ATOM 787 CA ASN A 55 17.943 5.200 -5.014 1.00 0.00 C ATOM 788 C ASN A 55 17.687 5.021 -3.516 1.00 0.00 C ATOM 789 O ASN A 55 17.555 6.000 -2.784 1.00 0.00 O ATOM 790 CB ASN A 55 17.559 6.632 -5.391 1.00 0.00 C ATOM 791 CG ASN A 55 17.015 6.696 -6.820 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.752 6.704 -7.792 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.688 6.740 -6.892 1.00 0.00 N ATOM 0 H ASN A 55 17.627 3.812 -6.551 1.00 0.00 H new ATOM 0 HA ASN A 55 18.992 5.032 -5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.808 7.006 -4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.430 7.282 -5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.228 6.784 -7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.130 6.730 -6.038 1.00 0.00 H new ATOM 800 N GLY A 56 17.625 3.763 -3.105 1.00 0.00 N ATOM 801 CA GLY A 56 17.388 3.443 -1.707 1.00 0.00 C ATOM 802 C GLY A 56 16.893 2.004 -1.551 1.00 0.00 C ATOM 803 O GLY A 56 15.983 1.576 -2.259 1.00 0.00 O ATOM 0 H GLY A 56 17.735 2.953 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.308 3.579 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.652 4.132 -1.292 1.00 0.00 H new ATOM 807 N ILE A 57 17.515 1.296 -0.619 1.00 0.00 N ATOM 808 CA ILE A 57 17.149 -0.086 -0.360 1.00 0.00 C ATOM 809 C ILE A 57 15.696 -0.144 0.115 1.00 0.00 C ATOM 810 O ILE A 57 15.389 0.258 1.237 1.00 0.00 O ATOM 811 CB ILE A 57 18.140 -0.730 0.612 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.398 -1.201 -0.120 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.478 -1.861 1.401 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.822 -0.191 -1.189 1.00 0.00 C ATOM 0 H ILE A 57 18.270 1.654 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 57 17.209 -0.674 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 57 18.451 0.026 1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.208 -1.340 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.212 -2.170 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.204 -2.301 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.638 -1.464 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.120 -2.625 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.719 -0.550 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.019 -0.072 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.031 0.770 -0.719 1.00 0.00 H new ATOM 826 N ILE A 58 14.840 -0.648 -0.761 1.00 0.00 N ATOM 827 CA ILE A 58 13.426 -0.764 -0.445 1.00 0.00 C ATOM 828 C ILE A 58 13.263 -1.532 0.869 1.00 0.00 C ATOM 829 O ILE A 58 13.865 -2.588 1.053 1.00 0.00 O ATOM 830 CB ILE A 58 12.664 -1.384 -1.618 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.898 -0.590 -2.905 1.00 0.00 C ATOM 832 CG2 ILE A 58 11.175 -1.522 -1.293 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.516 0.880 -2.720 1.00 0.00 C ATOM 0 H ILE A 58 15.098 -0.981 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 58 12.987 0.222 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 58 13.052 -2.389 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.946 -0.663 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.311 -1.023 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.657 -1.965 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.051 -2.161 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.755 -0.538 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.692 1.421 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.462 0.951 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 58 13.122 1.316 -1.926 1.00 0.00 H new ATOM 845 N LEU A 59 12.447 -0.970 1.748 1.00 0.00 N ATOM 846 CA LEU A 59 12.197 -1.588 3.039 1.00 0.00 C ATOM 847 C LEU A 59 10.803 -2.218 3.036 1.00 0.00 C ATOM 848 O LEU A 59 10.527 -3.126 3.819 1.00 0.00 O ATOM 849 CB LEU A 59 12.413 -0.578 4.167 1.00 0.00 C ATOM 850 CG LEU A 59 13.692 0.257 4.084 1.00 0.00 C ATOM 851 CD1 LEU A 59 13.754 1.280 5.221 1.00 0.00 C ATOM 852 CD2 LEU A 59 14.931 -0.639 4.052 1.00 0.00 C ATOM 0 H LEU A 59 11.950 -0.093 1.592 1.00 0.00 H new ATOM 0 HA LEU A 59 12.910 -2.392 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.560 0.101 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.415 -1.117 5.115 1.00 0.00 H new ATOM 0 HG LEU A 59 13.674 0.816 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.673 1.860 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.896 1.949 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.738 0.761 6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.826 -0.020 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.967 -1.243 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.884 -1.293 3.182 1.00 0.00 H new ATOM 864 N ALA A 60 9.961 -1.712 2.147 1.00 0.00 N ATOM 865 CA ALA A 60 8.602 -2.214 2.033 1.00 0.00 C ATOM 866 C ALA A 60 7.828 -1.356 1.030 1.00 0.00 C ATOM 867 O ALA A 60 8.413 -0.522 0.341 1.00 0.00 O ATOM 868 CB ALA A 60 7.946 -2.231 3.415 1.00 0.00 C ATOM 0 H ALA A 60 10.194 -0.960 1.499 1.00 0.00 H new ATOM 0 HA ALA A 60 8.601 -3.238 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.927 -2.608 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.517 -2.878 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.926 -1.220 3.821 1.00 0.00 H new ATOM 874 N TYR A 61 6.525 -1.590 0.981 1.00 0.00 N ATOM 875 CA TYR A 61 5.666 -0.848 0.074 1.00 0.00 C ATOM 876 C TYR A 61 4.325 -0.520 0.735 1.00 0.00 C ATOM 877 O TYR A 61 4.042 -0.985 1.838 1.00 0.00 O ATOM 878 CB TYR A 61 5.419 -1.770 -1.122 1.00 0.00 C ATOM 879 CG TYR A 61 6.543 -1.755 -2.160 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.704 -2.464 -1.929 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.395 -1.034 -3.327 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.762 -2.450 -2.907 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.452 -1.021 -4.305 1.00 0.00 C ATOM 884 CZ TYR A 61 8.584 -1.729 -4.046 1.00 0.00 C ATOM 885 OH TYR A 61 9.582 -1.717 -4.969 1.00 0.00 O ATOM 0 H TYR A 61 6.043 -2.283 1.554 1.00 0.00 H new ATOM 0 HA TYR A 61 6.134 0.094 -0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.285 -2.790 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.487 -1.479 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.820 -3.029 -1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.486 -0.479 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.676 -3.000 -2.739 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.348 -0.462 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 61 9.316 -1.162 -5.732 1.00 0.00 H new ATOM 895 N GLN A 62 3.535 0.278 0.032 1.00 0.00 N ATOM 896 CA GLN A 62 2.231 0.674 0.537 1.00 0.00 C ATOM 897 C GLN A 62 1.180 0.573 -0.571 1.00 0.00 C ATOM 898 O GLN A 62 1.411 1.022 -1.693 1.00 0.00 O ATOM 899 CB GLN A 62 2.275 2.086 1.124 1.00 0.00 C ATOM 900 CG GLN A 62 0.888 2.530 1.591 1.00 0.00 C ATOM 901 CD GLN A 62 0.815 4.052 1.725 1.00 0.00 C ATOM 902 OE1 GLN A 62 1.227 4.634 2.715 1.00 0.00 O ATOM 903 NE2 GLN A 62 0.269 4.662 0.677 1.00 0.00 N ATOM 0 H GLN A 62 3.773 0.661 -0.883 1.00 0.00 H new ATOM 0 HA GLN A 62 1.952 -0.008 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.971 2.113 1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.651 2.783 0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.135 2.187 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.657 2.066 2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.056 4.114 -0.120 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.175 5.678 0.670 1.00 0.00 H new ATOM 912 N ILE A 63 0.049 -0.018 -0.217 1.00 0.00 N ATOM 913 CA ILE A 63 -1.038 -0.183 -1.168 1.00 0.00 C ATOM 914 C ILE A 63 -2.331 0.359 -0.556 1.00 0.00 C ATOM 915 O ILE A 63 -2.766 -0.104 0.497 1.00 0.00 O ATOM 916 CB ILE A 63 -1.136 -1.641 -1.621 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.620 -1.807 -3.052 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.563 -2.170 -1.461 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.222 -3.077 -3.187 1.00 0.00 C ATOM 0 H ILE A 63 -0.139 -0.389 0.715 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.845 0.395 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.495 -2.243 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.462 -1.849 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.022 -0.939 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.605 -3.208 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.858 -2.109 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.243 -1.570 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.576 -3.171 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.076 -3.021 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.386 -3.945 -2.932 1.00 0.00 H new ATOM 931 N THR A 64 -2.910 1.333 -1.243 1.00 0.00 N ATOM 932 CA THR A 64 -4.145 1.944 -0.781 1.00 0.00 C ATOM 933 C THR A 64 -5.270 1.698 -1.788 1.00 0.00 C ATOM 934 O THR A 64 -5.081 1.872 -2.991 1.00 0.00 O ATOM 935 CB THR A 64 -3.872 3.427 -0.525 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.958 4.024 -1.816 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.429 3.690 -0.088 1.00 0.00 C ATOM 0 H THR A 64 -2.547 1.714 -2.116 1.00 0.00 H new ATOM 0 HA THR A 64 -4.483 1.495 0.153 1.00 0.00 H new ATOM 0 HB THR A 64 -4.556 3.795 0.240 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.159 3.334 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.289 4.758 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.223 3.147 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.746 3.353 -0.867 1.00 0.00 H new ATOM 945 N HIS A 65 -6.417 1.298 -1.259 1.00 0.00 N ATOM 946 CA HIS A 65 -7.573 1.027 -2.096 1.00 0.00 C ATOM 947 C HIS A 65 -8.704 1.993 -1.738 1.00 0.00 C ATOM 948 O HIS A 65 -9.036 2.158 -0.565 1.00 0.00 O ATOM 949 CB HIS A 65 -7.991 -0.441 -1.987 1.00 0.00 C ATOM 950 CG HIS A 65 -7.796 -1.035 -0.613 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.836 -1.569 0.128 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.671 -1.174 0.147 1.00 0.00 C ATOM 953 CE1 HIS A 65 -8.348 -2.006 1.280 1.00 0.00 C ATOM 954 NE2 HIS A 65 -7.006 -1.759 1.290 1.00 0.00 N ATOM 0 H HIS A 65 -6.570 1.155 -0.261 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.316 1.195 -3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.041 -0.531 -2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.420 -1.025 -2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.676 -0.861 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.913 -2.475 2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.366 -1.987 2.051 1.00 0.00 H new ATOM 962 N ARG A 66 -9.265 2.606 -2.770 1.00 0.00 N ATOM 963 CA ARG A 66 -10.352 3.551 -2.579 1.00 0.00 C ATOM 964 C ARG A 66 -11.200 3.649 -3.848 1.00 0.00 C ATOM 965 O ARG A 66 -10.664 3.748 -4.951 1.00 0.00 O ATOM 966 CB ARG A 66 -9.818 4.940 -2.223 1.00 0.00 C ATOM 967 CG ARG A 66 -8.997 5.523 -3.375 1.00 0.00 C ATOM 968 CD ARG A 66 -7.986 6.552 -2.863 1.00 0.00 C ATOM 969 NE ARG A 66 -8.687 7.624 -2.122 1.00 0.00 N ATOM 970 CZ ARG A 66 -8.075 8.509 -1.323 1.00 0.00 C ATOM 971 NH1 ARG A 66 -6.746 8.454 -1.157 1.00 0.00 N ATOM 972 NH2 ARG A 66 -8.791 9.448 -0.691 1.00 0.00 N ATOM 0 H ARG A 66 -8.987 2.467 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.966 3.187 -1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.650 5.605 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.201 4.878 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.473 4.721 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.663 5.992 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.257 6.066 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.433 6.979 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.699 7.694 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.201 7.739 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.280 9.127 -0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.802 9.490 -0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.325 10.121 -0.083 1.00 0.00 H new ATOM 986 N LEU A 67 -12.510 3.616 -3.650 1.00 0.00 N ATOM 987 CA LEU A 67 -13.437 3.700 -4.766 1.00 0.00 C ATOM 988 C LEU A 67 -13.253 5.041 -5.478 1.00 0.00 C ATOM 989 O LEU A 67 -13.114 6.078 -4.830 1.00 0.00 O ATOM 990 CB LEU A 67 -14.870 3.447 -4.291 1.00 0.00 C ATOM 991 CG LEU A 67 -15.318 1.984 -4.261 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.791 1.870 -3.864 1.00 0.00 C ATOM 993 CD2 LEU A 67 -15.030 1.295 -5.597 1.00 0.00 C ATOM 0 H LEU A 67 -12.951 3.532 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.225 2.920 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.977 3.860 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.550 4.001 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.738 1.465 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.084 0.820 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.935 2.300 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.405 2.409 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.358 0.257 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.567 1.809 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.960 1.328 -5.800 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.277 -0.024 3.252 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.663 -1.259 3.708 1.00 0.00 C ATOM 1141 C GLU A 78 -0.172 -1.269 3.365 1.00 0.00 C ATOM 1142 O GLU A 78 0.214 -0.922 2.250 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.372 -2.476 3.111 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.573 -3.756 3.368 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.435 -4.808 4.069 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.247 -5.440 3.360 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -2.261 -4.957 5.298 1.00 0.00 O ATOM 0 HA GLU A 78 -1.766 -1.315 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.367 -2.571 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.504 -2.335 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.203 -4.154 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.701 -3.528 3.981 1.00 0.00 H new ATOM 1154 N VAL A 79 0.625 -1.670 4.344 1.00 0.00 N ATOM 1155 CA VAL A 79 2.065 -1.730 4.160 1.00 0.00 C ATOM 1156 C VAL A 79 2.462 -3.144 3.733 1.00 0.00 C ATOM 1157 O VAL A 79 2.051 -4.123 4.355 1.00 0.00 O ATOM 1158 CB VAL A 79 2.775 -1.269 5.435 1.00 0.00 C ATOM 1159 CG1 VAL A 79 4.087 -2.029 5.637 1.00 0.00 C ATOM 1160 CG2 VAL A 79 3.015 0.242 5.412 1.00 0.00 C ATOM 0 H VAL A 79 0.301 -1.957 5.268 1.00 0.00 H new ATOM 0 HA VAL A 79 2.377 -1.051 3.366 1.00 0.00 H new ATOM 0 HB VAL A 79 2.125 -1.493 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.571 -1.682 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.880 -3.096 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.745 -1.851 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.521 0.544 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.636 0.499 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.059 0.761 5.337 1.00 0.00 H new ATOM 1170 N LEU A 80 3.257 -3.207 2.675 1.00 0.00 N ATOM 1171 CA LEU A 80 3.714 -4.486 2.157 1.00 0.00 C ATOM 1172 C LEU A 80 5.225 -4.604 2.365 1.00 0.00 C ATOM 1173 O LEU A 80 5.876 -3.644 2.774 1.00 0.00 O ATOM 1174 CB LEU A 80 3.277 -4.662 0.702 1.00 0.00 C ATOM 1175 CG LEU A 80 1.789 -4.937 0.476 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.254 -4.125 -0.705 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.527 -6.435 0.308 1.00 0.00 C ATOM 0 H LEU A 80 3.596 -2.393 2.162 1.00 0.00 H new ATOM 0 HA LEU A 80 3.251 -5.307 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.547 -3.761 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.848 -5.484 0.269 1.00 0.00 H new ATOM 0 HG LEU A 80 1.244 -4.613 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.194 -4.339 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.386 -3.062 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.800 -4.395 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.462 -6.602 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.085 -6.808 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.847 -6.963 1.206 1.00 0.00 H new ATOM 1189 N ALA A 81 5.739 -5.790 2.073 1.00 0.00 N ATOM 1190 CA ALA A 81 7.161 -6.046 2.222 1.00 0.00 C ATOM 1191 C ALA A 81 7.911 -5.450 1.029 1.00 0.00 C ATOM 1192 O ALA A 81 7.298 -5.078 0.030 1.00 0.00 O ATOM 1193 CB ALA A 81 7.397 -7.551 2.366 1.00 0.00 C ATOM 0 H ALA A 81 5.196 -6.584 1.734 1.00 0.00 H new ATOM 0 HA ALA A 81 7.544 -5.568 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.464 -7.743 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.868 -7.920 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.027 -8.064 1.478 1.00 0.00 H new ATOM 1199 N PRO A 82 9.261 -5.376 1.177 1.00 0.00 N ATOM 1200 CA PRO A 82 10.100 -4.832 0.123 1.00 0.00 C ATOM 1201 C PRO A 82 10.246 -5.826 -1.031 1.00 0.00 C ATOM 1202 O PRO A 82 10.907 -5.534 -2.026 1.00 0.00 O ATOM 1203 CB PRO A 82 11.422 -4.510 0.801 1.00 0.00 C ATOM 1204 CG PRO A 82 11.435 -5.311 2.093 1.00 0.00 C ATOM 1205 CD PRO A 82 10.021 -5.808 2.346 1.00 0.00 C ATOM 0 HA PRO A 82 9.674 -3.939 -0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.264 -4.782 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.507 -3.442 1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.127 -6.150 2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.777 -4.692 2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.996 -6.892 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.611 -5.385 3.263 1.00 0.00 H new ATOM 1213 N SER A 83 9.618 -6.979 -0.859 1.00 0.00 N ATOM 1214 CA SER A 83 9.669 -8.018 -1.873 1.00 0.00 C ATOM 1215 C SER A 83 8.254 -8.366 -2.338 1.00 0.00 C ATOM 1216 O SER A 83 7.968 -9.519 -2.660 1.00 0.00 O ATOM 1217 CB SER A 83 10.377 -9.268 -1.347 1.00 0.00 C ATOM 1218 OG SER A 83 9.803 -9.733 -0.128 1.00 0.00 O ATOM 0 H SER A 83 9.071 -7.217 -0.032 1.00 0.00 H new ATOM 0 HA SER A 83 10.240 -7.640 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.324 -10.057 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.433 -9.048 -1.190 1.00 0.00 H new ATOM 0 HG SER A 83 10.281 -10.533 0.175 1.00 0.00 H new ATOM 1224 N ALA A 84 7.405 -7.349 -2.358 1.00 0.00 N ATOM 1225 CA ALA A 84 6.026 -7.533 -2.778 1.00 0.00 C ATOM 1226 C ALA A 84 5.861 -7.019 -4.210 1.00 0.00 C ATOM 1227 O ALA A 84 5.996 -5.823 -4.463 1.00 0.00 O ATOM 1228 CB ALA A 84 5.093 -6.826 -1.793 1.00 0.00 C ATOM 0 H ALA A 84 7.645 -6.395 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 84 5.762 -8.590 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.059 -6.964 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.228 -7.248 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.326 -5.762 -1.771 1.00 0.00 H new ATOM 1234 N ARG A 85 5.569 -7.948 -5.108 1.00 0.00 N ATOM 1235 CA ARG A 85 5.384 -7.603 -6.508 1.00 0.00 C ATOM 1236 C ARG A 85 3.894 -7.457 -6.825 1.00 0.00 C ATOM 1237 O ARG A 85 3.524 -6.789 -7.789 1.00 0.00 O ATOM 1238 CB ARG A 85 5.991 -8.669 -7.422 1.00 0.00 C ATOM 1239 CG ARG A 85 7.520 -8.644 -7.353 1.00 0.00 C ATOM 1240 CD ARG A 85 8.110 -7.876 -8.538 1.00 0.00 C ATOM 1241 NE ARG A 85 8.034 -8.701 -9.764 1.00 0.00 N ATOM 1242 CZ ARG A 85 7.069 -8.587 -10.687 1.00 0.00 C ATOM 1243 NH1 ARG A 85 6.093 -7.683 -10.529 1.00 0.00 N ATOM 1244 NH2 ARG A 85 7.080 -9.378 -11.769 1.00 0.00 N ATOM 0 H ARG A 85 5.456 -8.939 -4.894 1.00 0.00 H new ATOM 0 HA ARG A 85 5.892 -6.655 -6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.626 -9.654 -7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.667 -8.500 -8.449 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.838 -8.180 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.904 -9.664 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.567 -6.942 -8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.147 -7.612 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 85 8.761 -9.400 -9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.084 -7.081 -9.706 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.359 -7.597 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.823 -10.067 -11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.346 -9.291 -12.472 1.00 0.00 H new ATOM 1258 N GLN A 86 3.080 -8.094 -5.996 1.00 0.00 N ATOM 1259 CA GLN A 86 1.639 -8.043 -6.177 1.00 0.00 C ATOM 1260 C GLN A 86 0.934 -8.021 -4.819 1.00 0.00 C ATOM 1261 O GLN A 86 1.539 -8.342 -3.797 1.00 0.00 O ATOM 1262 CB GLN A 86 1.152 -9.217 -7.029 1.00 0.00 C ATOM 1263 CG GLN A 86 1.110 -10.508 -6.210 1.00 0.00 C ATOM 1264 CD GLN A 86 1.586 -11.701 -7.043 1.00 0.00 C ATOM 1265 OE1 GLN A 86 1.533 -11.700 -8.262 1.00 0.00 O ATOM 1266 NE2 GLN A 86 2.052 -12.715 -6.319 1.00 0.00 N ATOM 0 H GLN A 86 3.391 -8.648 -5.198 1.00 0.00 H new ATOM 0 HA GLN A 86 1.391 -7.124 -6.708 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.159 -8.999 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.812 -9.347 -7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.739 -10.403 -5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.094 -10.687 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.068 -12.650 -5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.393 -13.558 -6.782 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.334 -7.640 -4.852 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.127 -7.573 -3.637 1.00 0.00 C ATOM 1277 C TYR A 87 -2.592 -7.915 -3.918 1.00 0.00 C ATOM 1278 O TYR A 87 -3.150 -7.488 -4.928 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.038 -6.123 -3.155 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.135 -5.729 -2.163 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -3.397 -5.412 -2.621 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -1.860 -5.690 -0.812 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -4.429 -5.040 -1.688 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -2.892 -5.318 0.122 1.00 0.00 C ATOM 1285 CZ TYR A 87 -4.126 -5.012 -0.362 1.00 0.00 C ATOM 1286 OH TYR A 87 -5.100 -4.661 0.519 1.00 0.00 O ATOM 0 H TYR A 87 -0.832 -7.374 -5.702 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.757 -8.283 -2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.066 -5.965 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.088 -5.460 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.611 -5.443 -3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.872 -5.938 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.421 -4.789 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.690 -5.283 1.182 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.741 -4.686 1.431 1.00 0.00 H new ATOM 1296 N THR A 88 -3.172 -8.683 -3.008 1.00 0.00 N ATOM 1297 CA THR A 88 -4.561 -9.088 -3.146 1.00 0.00 C ATOM 1298 C THR A 88 -5.476 -8.120 -2.392 1.00 0.00 C ATOM 1299 O THR A 88 -5.244 -7.826 -1.220 1.00 0.00 O ATOM 1300 CB THR A 88 -4.681 -10.536 -2.666 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.803 -11.260 -3.523 1.00 0.00 O ATOM 1302 CG2 THR A 88 -6.060 -11.135 -2.953 1.00 0.00 C ATOM 0 H THR A 88 -2.706 -9.036 -2.172 1.00 0.00 H new ATOM 0 HA THR A 88 -4.884 -9.047 -4.186 1.00 0.00 H new ATOM 0 HB THR A 88 -4.481 -10.581 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.818 -12.209 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.092 -12.163 -2.593 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.825 -10.548 -2.444 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.247 -11.121 -4.027 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.496 -7.651 -3.096 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.446 -6.723 -2.508 1.00 0.00 C ATOM 1312 C ALA A 89 -8.801 -7.416 -2.353 1.00 0.00 C ATOM 1313 O ALA A 89 -9.434 -7.779 -3.344 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.531 -5.463 -3.373 1.00 0.00 C ATOM 0 H ALA A 89 -6.685 -7.897 -4.068 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.118 -6.416 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.244 -4.766 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.550 -4.992 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.860 -5.732 -4.377 1.00 0.00 H new ATOM 1320 N THR A 90 -9.207 -7.580 -1.103 1.00 0.00 N ATOM 1321 CA THR A 90 -10.475 -8.223 -0.806 1.00 0.00 C ATOM 1322 C THR A 90 -11.391 -7.268 -0.038 1.00 0.00 C ATOM 1323 O THR A 90 -10.936 -6.252 0.485 1.00 0.00 O ATOM 1324 CB THR A 90 -10.182 -9.521 -0.051 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.368 -9.110 1.044 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.283 -10.470 -0.846 1.00 0.00 C ATOM 0 H THR A 90 -8.680 -7.278 -0.284 1.00 0.00 H new ATOM 0 HA THR A 90 -11.013 -8.475 -1.720 1.00 0.00 H new ATOM 0 HB THR A 90 -11.120 -10.022 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.133 -9.891 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.106 -11.375 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.770 -10.731 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.331 -9.981 -1.054 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.666 -7.628 0.005 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.650 -6.816 0.700 1.00 0.00 C ATOM 1336 C GLY A 91 -13.949 -5.532 -0.077 1.00 0.00 C ATOM 1337 O GLY A 91 -13.894 -4.437 0.481 1.00 0.00 O ATOM 0 H GLY A 91 -13.040 -8.471 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.569 -7.387 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.283 -6.566 1.695 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.258 -5.709 -1.353 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.566 -4.579 -2.213 1.00 0.00 C ATOM 1343 C LEU A 92 -15.991 -4.726 -2.750 1.00 0.00 C ATOM 1344 O LEU A 92 -16.543 -5.825 -2.765 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.508 -4.435 -3.308 1.00 0.00 C ATOM 1346 CG LEU A 92 -12.058 -4.661 -2.874 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.233 -5.266 -4.011 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.437 -3.369 -2.340 1.00 0.00 C ATOM 0 H LEU A 92 -14.302 -6.619 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.533 -3.649 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.742 -5.140 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.587 -3.434 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.055 -5.381 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.207 -5.416 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.663 -6.224 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.240 -4.589 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.407 -3.558 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.453 -2.608 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.008 -3.019 -1.480 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.547 -3.602 -3.178 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.897 -3.591 -3.714 1.00 0.00 C ATOM 1362 C LYS A 93 -17.839 -3.766 -5.233 1.00 0.00 C ATOM 1363 O LYS A 93 -17.046 -3.110 -5.908 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.641 -2.330 -3.269 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.959 -2.174 -4.030 1.00 0.00 C ATOM 1366 CD LYS A 93 -20.086 -0.769 -4.623 1.00 0.00 C ATOM 1367 CE LYS A 93 -20.148 0.288 -3.519 1.00 0.00 C ATOM 1368 NZ LYS A 93 -21.545 0.499 -3.080 1.00 0.00 N ATOM 0 H LYS A 93 -16.086 -2.692 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.471 -4.428 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.839 -2.379 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -18.014 -1.455 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -20.013 -2.915 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.796 -2.366 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -19.237 -0.568 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.983 -0.710 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -19.538 -0.026 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.729 1.227 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -21.568 1.220 -2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -22.118 0.820 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.932 -0.394 -2.714 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.711 -4.678 -5.740 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.766 -4.948 -7.167 1.00 0.00 C ATOM 1384 C PRO A 94 -19.467 -3.811 -7.913 1.00 0.00 C ATOM 1385 O PRO A 94 -20.159 -2.997 -7.303 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.495 -6.276 -7.288 1.00 0.00 C ATOM 1387 CG PRO A 94 -20.227 -6.472 -5.970 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.664 -5.474 -4.972 1.00 0.00 C ATOM 0 HA PRO A 94 -17.778 -5.009 -7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.194 -6.263 -8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.794 -7.091 -7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.298 -6.318 -6.101 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.094 -7.491 -5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.451 -4.850 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -19.176 -5.980 -4.139 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.264 -3.792 -9.222 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.868 -2.768 -10.058 1.00 0.00 C ATOM 1398 C GLU A 95 -19.329 -1.387 -9.679 1.00 0.00 C ATOM 1399 O GLU A 95 -20.088 -0.423 -9.591 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.394 -2.808 -9.957 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.944 -4.134 -10.487 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.880 -3.903 -11.676 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -22.439 -3.212 -12.619 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -24.015 -4.423 -11.614 1.00 0.00 O ATOM 0 H GLU A 95 -18.690 -4.469 -9.724 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.600 -2.969 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.697 -2.674 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.821 -1.981 -10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.119 -4.779 -10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.480 -4.653 -9.693 1.00 0.00 H new ATOM 1411 N SER A 96 -18.022 -1.335 -9.466 1.00 0.00 N ATOM 1412 CA SER A 96 -17.373 -0.088 -9.099 1.00 0.00 C ATOM 1413 C SER A 96 -15.895 -0.132 -9.493 1.00 0.00 C ATOM 1414 O SER A 96 -15.420 -1.135 -10.023 1.00 0.00 O ATOM 1415 CB SER A 96 -17.515 0.186 -7.600 1.00 0.00 C ATOM 1416 OG SER A 96 -18.810 0.677 -7.267 1.00 0.00 O ATOM 0 H SER A 96 -17.395 -2.136 -9.541 1.00 0.00 H new ATOM 0 HA SER A 96 -17.862 0.724 -9.637 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.321 -0.731 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.762 0.911 -7.291 1.00 0.00 H new ATOM 0 HG SER A 96 -19.422 0.522 -8.017 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.210 0.969 -9.219 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.796 1.069 -9.539 1.00 0.00 C ATOM 1424 C VAL A 97 -13.012 1.392 -8.265 1.00 0.00 C ATOM 1425 O VAL A 97 -13.433 2.228 -7.468 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.583 2.099 -10.650 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -14.915 2.700 -11.104 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -12.611 3.193 -10.204 1.00 0.00 C ATOM 0 H VAL A 97 -15.608 1.799 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.421 0.119 -9.919 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.140 1.585 -11.503 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -14.735 3.429 -11.894 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.562 1.908 -11.482 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -15.399 3.192 -10.260 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -12.477 3.912 -11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -13.013 3.702 -9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.649 2.745 -9.954 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.885 0.712 -8.115 1.00 0.00 N ATOM 1439 CA TYR A 98 -11.037 0.916 -6.952 1.00 0.00 C ATOM 1440 C TYR A 98 -9.624 1.328 -7.369 1.00 0.00 C ATOM 1441 O TYR A 98 -8.955 0.605 -8.107 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.972 -0.435 -6.236 1.00 0.00 C ATOM 1443 CG TYR A 98 -12.133 -0.684 -5.271 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.295 -1.273 -5.728 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -12.018 -0.321 -3.945 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.388 -1.508 -4.820 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -13.111 -0.556 -3.037 1.00 0.00 C ATOM 1448 CZ TYR A 98 -14.242 -1.138 -3.519 1.00 0.00 C ATOM 1449 OH TYR A 98 -15.274 -1.360 -2.662 1.00 0.00 O ATOM 0 H TYR A 98 -11.539 0.019 -8.779 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.438 1.706 -6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.956 -1.230 -6.982 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.034 -0.497 -5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.384 -1.557 -6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.109 0.139 -3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.303 -1.968 -5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.034 -0.276 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.029 -1.047 -1.766 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.211 2.487 -6.879 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.889 3.004 -7.192 1.00 0.00 C ATOM 1461 C LEU A 99 -6.850 2.295 -6.320 1.00 0.00 C ATOM 1462 O LEU A 99 -7.097 2.032 -5.144 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.865 4.528 -7.061 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.485 5.185 -7.124 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -6.325 6.004 -8.406 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -6.218 6.022 -5.871 1.00 0.00 C ATOM 0 H LEU A 99 -9.768 3.083 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.633 2.793 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.483 4.951 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.331 4.799 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.733 4.397 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.335 6.460 -8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.441 5.352 -9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.085 6.785 -8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.230 6.478 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.973 6.803 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.260 5.382 -4.990 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.710 2.007 -6.930 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.633 1.334 -6.224 1.00 0.00 C ATOM 1480 C PHE A 100 -3.364 2.189 -6.218 1.00 0.00 C ATOM 1481 O PHE A 100 -2.728 2.369 -7.255 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.352 0.031 -6.975 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.212 -1.149 -6.517 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.473 -1.300 -7.005 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.717 -2.046 -5.623 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.272 -2.395 -6.580 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.515 -3.140 -5.199 1.00 0.00 C ATOM 1488 CZ PHE A 100 -6.776 -3.292 -5.686 1.00 0.00 C ATOM 0 H PHE A 100 -5.509 2.227 -7.905 1.00 0.00 H new ATOM 0 HA PHE A 100 -4.922 1.153 -5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.516 0.195 -8.040 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.301 -0.229 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -6.866 -0.588 -7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.716 -1.926 -5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.273 -2.515 -6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.121 -3.852 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.383 -4.125 -5.363 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.034 2.692 -5.038 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.853 3.524 -4.882 1.00 0.00 C ATOM 1500 C ARG A 101 -0.691 2.697 -4.328 1.00 0.00 C ATOM 1501 O ARG A 101 -0.693 2.324 -3.156 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.126 4.700 -3.943 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.459 5.978 -4.456 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.452 7.141 -4.486 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.882 7.475 -3.110 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.576 8.575 -2.786 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -3.922 9.453 -3.737 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -3.923 8.796 -1.511 1.00 0.00 N ATOM 0 H ARG A 101 -3.564 2.539 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.591 3.914 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.201 4.857 -3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.754 4.467 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.614 6.233 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.062 5.809 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.991 8.011 -4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.318 6.875 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.635 6.828 -2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.657 9.284 -4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.450 10.290 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.659 8.127 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.451 9.633 -1.264 1.00 0.00 H new ATOM 1522 N ILE A 102 0.274 2.434 -5.197 1.00 0.00 N ATOM 1523 CA ILE A 102 1.440 1.658 -4.808 1.00 0.00 C ATOM 1524 C ILE A 102 2.594 2.608 -4.484 1.00 0.00 C ATOM 1525 O ILE A 102 2.815 3.589 -5.193 1.00 0.00 O ATOM 1526 CB ILE A 102 1.778 0.625 -5.884 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.667 -0.419 -6.011 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.141 -0.018 -5.618 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.596 -0.975 -7.434 1.00 0.00 C ATOM 0 H ILE A 102 0.273 2.744 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 102 1.233 1.087 -3.903 1.00 0.00 H new ATOM 0 HB ILE A 102 1.846 1.140 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.846 -1.232 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.290 0.029 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.357 -0.749 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.913 0.752 -5.618 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.125 -0.516 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.202 -1.715 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.393 -0.163 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.546 -1.444 -7.689 1.00 0.00 H new ATOM 1541 N THR A 103 3.301 2.284 -3.411 1.00 0.00 N ATOM 1542 CA THR A 103 4.428 3.096 -2.983 1.00 0.00 C ATOM 1543 C THR A 103 5.493 2.223 -2.317 1.00 0.00 C ATOM 1544 O THR A 103 5.200 1.116 -1.866 1.00 0.00 O ATOM 1545 CB THR A 103 3.894 4.204 -2.073 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.671 4.600 -2.689 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.758 5.465 -2.116 1.00 0.00 C ATOM 0 H THR A 103 3.115 1.470 -2.825 1.00 0.00 H new ATOM 0 HA THR A 103 4.923 3.564 -3.834 1.00 0.00 H new ATOM 0 HB THR A 103 3.840 3.837 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.256 5.315 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.334 6.219 -1.453 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.770 5.224 -1.792 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.786 5.852 -3.134 1.00 0.00 H new ATOM 1555 N ALA A 104 6.706 2.753 -2.276 1.00 0.00 N ATOM 1556 CA ALA A 104 7.816 2.036 -1.672 1.00 0.00 C ATOM 1557 C ALA A 104 8.313 2.809 -0.449 1.00 0.00 C ATOM 1558 O ALA A 104 8.117 4.020 -0.354 1.00 0.00 O ATOM 1559 CB ALA A 104 8.916 1.826 -2.715 1.00 0.00 C ATOM 0 H ALA A 104 6.945 3.671 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 104 7.496 1.051 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.749 1.288 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.521 1.247 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.263 2.794 -3.078 1.00 0.00 H new ATOM 1565 N GLN A 105 8.945 2.078 0.457 1.00 0.00 N ATOM 1566 CA GLN A 105 9.471 2.680 1.671 1.00 0.00 C ATOM 1567 C GLN A 105 10.983 2.466 1.757 1.00 0.00 C ATOM 1568 O GLN A 105 11.457 1.332 1.706 1.00 0.00 O ATOM 1569 CB GLN A 105 8.767 2.122 2.909 1.00 0.00 C ATOM 1570 CG GLN A 105 9.121 2.937 4.155 1.00 0.00 C ATOM 1571 CD GLN A 105 9.252 2.033 5.382 1.00 0.00 C ATOM 1572 OE1 GLN A 105 10.308 1.500 5.682 1.00 0.00 O ATOM 1573 NE2 GLN A 105 8.125 1.891 6.073 1.00 0.00 N ATOM 0 H GLN A 105 9.105 1.074 0.375 1.00 0.00 H new ATOM 0 HA GLN A 105 9.277 3.752 1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.688 2.136 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 105 9.054 1.081 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 105 10.057 3.471 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.352 3.689 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.276 2.366 5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.110 1.308 6.910 1.00 0.00 H new ATOM 1582 N THR A 106 11.699 3.574 1.885 1.00 0.00 N ATOM 1583 CA THR A 106 13.148 3.522 1.979 1.00 0.00 C ATOM 1584 C THR A 106 13.625 4.213 3.258 1.00 0.00 C ATOM 1585 O THR A 106 12.821 4.529 4.134 1.00 0.00 O ATOM 1586 CB THR A 106 13.727 4.137 0.704 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.925 5.295 0.482 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.477 3.269 -0.531 1.00 0.00 C ATOM 0 H THR A 106 11.302 4.513 1.926 1.00 0.00 H new ATOM 0 HA THR A 106 13.503 2.494 2.051 1.00 0.00 H new ATOM 0 HB THR A 106 14.799 4.290 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 106 13.458 6.100 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.908 3.751 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.940 2.293 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.404 3.144 -0.677 1.00 0.00 H new ATOM 1596 N ARG A 107 14.931 4.427 3.325 1.00 0.00 N ATOM 1597 CA ARG A 107 15.524 5.075 4.482 1.00 0.00 C ATOM 1598 C ARG A 107 15.213 6.573 4.470 1.00 0.00 C ATOM 1599 O ARG A 107 15.489 7.276 5.441 1.00 0.00 O ATOM 1600 CB ARG A 107 17.041 4.876 4.507 1.00 0.00 C ATOM 1601 CG ARG A 107 17.722 5.717 3.425 1.00 0.00 C ATOM 1602 CD ARG A 107 19.242 5.552 3.478 1.00 0.00 C ATOM 1603 NE ARG A 107 19.859 6.743 4.102 1.00 0.00 N ATOM 1604 CZ ARG A 107 21.179 6.908 4.263 1.00 0.00 C ATOM 1605 NH1 ARG A 107 22.029 5.960 3.845 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.650 8.022 4.840 1.00 0.00 N ATOM 0 H ARG A 107 15.595 4.163 2.597 1.00 0.00 H new ATOM 0 HA ARG A 107 15.094 4.619 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.431 5.152 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.276 3.822 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.354 5.419 2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.462 6.767 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.499 4.659 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.636 5.413 2.471 1.00 0.00 H new ATOM 0 HE ARG A 107 19.241 7.485 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.671 5.113 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 107 23.034 6.086 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 107 21.004 8.745 5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.655 8.147 4.962 1.00 0.00 H new ATOM 1620 N LYS A 108 14.642 7.017 3.359 1.00 0.00 N ATOM 1621 CA LYS A 108 14.291 8.418 3.208 1.00 0.00 C ATOM 1622 C LYS A 108 12.815 8.611 3.562 1.00 0.00 C ATOM 1623 O LYS A 108 12.462 9.540 4.286 1.00 0.00 O ATOM 1624 CB LYS A 108 14.657 8.914 1.807 1.00 0.00 C ATOM 1625 CG LYS A 108 16.142 8.688 1.517 1.00 0.00 C ATOM 1626 CD LYS A 108 17.016 9.344 2.587 1.00 0.00 C ATOM 1627 CE LYS A 108 16.709 10.838 2.707 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.058 11.541 1.452 1.00 0.00 N ATOM 0 H LYS A 108 14.414 6.431 2.556 1.00 0.00 H new ATOM 0 HA LYS A 108 14.868 9.032 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.054 8.393 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.423 9.975 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 108 16.350 7.619 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 108 16.391 9.097 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.848 8.857 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.068 9.204 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.652 10.981 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 108 17.270 11.265 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.005 12.569 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.024 11.282 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.390 11.267 0.703 1.00 0.00 H new ATOM 1642 N GLY A 109 11.991 7.717 3.034 1.00 0.00 N ATOM 1643 CA GLY A 109 10.561 7.776 3.286 1.00 0.00 C ATOM 1644 C GLY A 109 9.778 7.110 2.153 1.00 0.00 C ATOM 1645 O GLY A 109 10.233 6.125 1.574 1.00 0.00 O ATOM 0 H GLY A 109 12.287 6.948 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.334 7.281 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.248 8.815 3.387 1.00 0.00 H new ATOM 1649 N TRP A 110 8.613 7.674 1.871 1.00 0.00 N ATOM 1650 CA TRP A 110 7.761 7.147 0.818 1.00 0.00 C ATOM 1651 C TRP A 110 7.853 8.092 -0.382 1.00 0.00 C ATOM 1652 O TRP A 110 7.526 9.272 -0.273 1.00 0.00 O ATOM 1653 CB TRP A 110 6.328 6.953 1.318 1.00 0.00 C ATOM 1654 CG TRP A 110 6.193 5.917 2.436 1.00 0.00 C ATOM 1655 CD1 TRP A 110 6.322 6.106 3.756 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.896 4.514 2.276 1.00 0.00 C ATOM 1657 NE1 TRP A 110 6.131 4.933 4.456 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.863 3.934 3.527 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.662 3.760 1.112 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.600 2.574 3.735 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.401 2.403 1.337 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.364 1.804 2.591 1.00 0.00 C ATOM 0 H TRP A 110 8.239 8.491 2.353 1.00 0.00 H new ATOM 0 HA TRP A 110 8.098 6.158 0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.946 7.909 1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.699 6.652 0.480 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.547 7.058 4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 110 6.178 4.819 5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.682 4.193 0.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.580 2.143 4.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.215 1.778 0.476 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.154 0.749 2.682 1.00 0.00 H new ATOM 1673 N GLY A 111 8.300 7.536 -1.498 1.00 0.00 N ATOM 1674 CA GLY A 111 8.440 8.314 -2.718 1.00 0.00 C ATOM 1675 C GLY A 111 7.115 8.379 -3.481 1.00 0.00 C ATOM 1676 O GLY A 111 6.048 8.194 -2.898 1.00 0.00 O ATOM 0 H GLY A 111 8.570 6.556 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.773 9.323 -2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.207 7.869 -3.351 1.00 0.00 H new ATOM 1680 N GLU A 112 7.227 8.641 -4.775 1.00 0.00 N ATOM 1681 CA GLU A 112 6.052 8.733 -5.625 1.00 0.00 C ATOM 1682 C GLU A 112 5.133 7.532 -5.390 1.00 0.00 C ATOM 1683 O GLU A 112 5.508 6.584 -4.702 1.00 0.00 O ATOM 1684 CB GLU A 112 6.448 8.841 -7.099 1.00 0.00 C ATOM 1685 CG GLU A 112 5.581 9.871 -7.825 1.00 0.00 C ATOM 1686 CD GLU A 112 6.378 10.583 -8.920 1.00 0.00 C ATOM 1687 OE1 GLU A 112 7.620 10.622 -8.785 1.00 0.00 O ATOM 1688 OE2 GLU A 112 5.727 11.073 -9.868 1.00 0.00 O ATOM 0 H GLU A 112 8.114 8.793 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 112 5.507 9.640 -5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.498 9.124 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.343 7.868 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.714 9.377 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.204 10.603 -7.111 1.00 0.00 H new ATOM 1695 N ALA A 113 3.947 7.611 -5.976 1.00 0.00 N ATOM 1696 CA ALA A 113 2.972 6.543 -5.840 1.00 0.00 C ATOM 1697 C ALA A 113 2.271 6.324 -7.182 1.00 0.00 C ATOM 1698 O ALA A 113 1.857 7.282 -7.834 1.00 0.00 O ATOM 1699 CB ALA A 113 1.991 6.887 -4.718 1.00 0.00 C ATOM 0 H ALA A 113 3.640 8.399 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 113 3.462 5.608 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.259 6.086 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.536 7.002 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.478 7.819 -4.956 1.00 0.00 H new ATOM 1705 N ALA A 114 2.158 5.058 -7.555 1.00 0.00 N ATOM 1706 CA ALA A 114 1.514 4.701 -8.808 1.00 0.00 C ATOM 1707 C ALA A 114 0.033 4.416 -8.551 1.00 0.00 C ATOM 1708 O ALA A 114 -0.306 3.494 -7.810 1.00 0.00 O ATOM 1709 CB ALA A 114 2.238 3.507 -9.433 1.00 0.00 C ATOM 0 H ALA A 114 2.502 4.266 -7.011 1.00 0.00 H new ATOM 0 HA ALA A 114 1.573 5.525 -9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.755 3.240 -10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.278 3.771 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.197 2.659 -8.750 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.810 5.223 -9.178 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.247 5.069 -9.027 1.00 0.00 C ATOM 1717 C GLU A 115 -2.818 4.253 -10.188 1.00 0.00 C ATOM 1718 O GLU A 115 -2.680 4.637 -11.349 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.937 6.431 -8.922 1.00 0.00 C ATOM 1720 CG GLU A 115 -3.131 6.836 -7.460 1.00 0.00 C ATOM 1721 CD GLU A 115 -3.857 8.179 -7.355 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.084 8.786 -8.423 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -4.169 8.567 -6.208 1.00 0.00 O ATOM 0 H GLU A 115 -0.525 5.986 -9.792 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.439 4.529 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.341 7.185 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.904 6.392 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.702 6.068 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.162 6.903 -6.966 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.448 3.142 -9.835 1.00 0.00 N ATOM 1731 CA ALA A 116 -4.041 2.268 -10.834 1.00 0.00 C ATOM 1732 C ALA A 116 -5.483 1.950 -10.435 1.00 0.00 C ATOM 1733 O ALA A 116 -5.731 1.438 -9.344 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.186 1.009 -10.982 1.00 0.00 C ATOM 0 H ALA A 116 -3.561 2.827 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.069 2.759 -11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.630 0.353 -11.731 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.180 1.287 -11.295 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.138 0.487 -10.026 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.398 2.267 -11.340 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.809 2.021 -11.096 1.00 0.00 C ATOM 1742 C LEU A 117 -8.193 0.660 -11.680 1.00 0.00 C ATOM 1743 O LEU A 117 -7.652 0.244 -12.703 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.654 3.180 -11.628 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.499 4.515 -10.897 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.163 5.641 -11.877 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.742 4.832 -10.064 1.00 0.00 C ATOM 0 H LEU A 117 -6.189 2.692 -12.243 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.009 1.976 -10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.405 3.333 -12.678 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.703 2.887 -11.588 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.661 4.430 -10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.058 6.579 -11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.228 5.412 -12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.963 5.736 -12.611 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.605 5.786 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.613 4.891 -10.717 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.895 4.045 -9.325 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.126 0.004 -11.005 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.589 -1.301 -11.444 1.00 0.00 C ATOM 1761 C VAL A 118 -11.066 -1.463 -11.078 1.00 0.00 C ATOM 1762 O VAL A 118 -11.449 -1.264 -9.926 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.702 -2.398 -10.851 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.580 -2.243 -9.334 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.227 -3.787 -11.220 1.00 0.00 C ATOM 0 H VAL A 118 -9.574 0.352 -10.157 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.511 -1.389 -12.528 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.706 -2.292 -11.280 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.945 -3.035 -8.937 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.139 -1.273 -9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.569 -2.310 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.579 -4.548 -10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.239 -3.908 -10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.238 -3.895 -12.305 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.855 -1.822 -12.080 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.281 -2.013 -11.878 1.00 0.00 C ATOM 1777 C VAL A 119 -13.540 -3.453 -11.433 1.00 0.00 C ATOM 1778 O VAL A 119 -12.863 -4.377 -11.881 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.045 -1.633 -13.148 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.438 -2.264 -13.159 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.129 -0.113 -13.303 1.00 0.00 C ATOM 0 H VAL A 119 -11.534 -1.986 -13.034 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.646 -1.358 -11.087 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.493 -2.026 -14.002 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.960 -1.978 -14.072 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.346 -3.349 -13.118 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -16.002 -1.915 -12.294 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.677 0.130 -14.213 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.647 0.312 -12.443 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.123 0.303 -13.363 1.00 0.00 H new ATOM 1791 N THR A 120 -14.523 -3.600 -10.556 1.00 0.00 N ATOM 1792 CA THR A 120 -14.880 -4.913 -10.045 1.00 0.00 C ATOM 1793 C THR A 120 -16.122 -5.444 -10.763 1.00 0.00 C ATOM 1794 O THR A 120 -17.201 -4.863 -10.658 1.00 0.00 O ATOM 1795 CB THR A 120 -15.057 -4.798 -8.530 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.827 -3.612 -8.359 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.742 -4.496 -7.808 1.00 0.00 C ATOM 0 H THR A 120 -15.083 -2.832 -10.187 1.00 0.00 H new ATOM 0 HA THR A 120 -14.093 -5.642 -10.241 1.00 0.00 H new ATOM 0 HB THR A 120 -15.479 -5.725 -8.143 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.174 -3.577 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 120 -13.924 -4.425 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.028 -5.296 -8.002 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.336 -3.552 -8.171 1.00 0.00 H new ATOM 1805 N THR A 121 -15.928 -6.543 -11.478 1.00 0.00 N ATOM 1806 CA THR A 121 -17.019 -7.160 -12.213 1.00 0.00 C ATOM 1807 C THR A 121 -16.546 -8.449 -12.888 1.00 0.00 C ATOM 1808 O THR A 121 -15.348 -8.724 -12.939 1.00 0.00 O ATOM 1809 CB THR A 121 -17.570 -6.126 -13.197 1.00 0.00 C ATOM 1810 OG1 THR A 121 -18.562 -6.839 -13.930 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.543 -5.721 -14.256 1.00 0.00 C ATOM 0 H THR A 121 -15.031 -7.022 -11.564 1.00 0.00 H new ATOM 0 HA THR A 121 -17.827 -7.458 -11.545 1.00 0.00 H new ATOM 0 HB THR A 121 -17.895 -5.241 -12.650 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.973 -6.243 -14.590 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.985 -4.986 -14.929 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.669 -5.288 -13.769 1.00 0.00 H new ATOM 0 HG23 THR A 121 -16.242 -6.600 -14.826 1.00 0.00 H new