USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 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+ -142:sc= 0.0066 (180deg=-2.35!) USER MOD Set 1.2: A 96 SER OG : rot 70:sc= -2.25 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -103:sc= 0.229 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00039 USER MOD Single : A 43 SER OG : rot 180:sc= -0.475 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 55 ASN : amide:sc= -10.1! C(o=-10!,f=-18!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0495 X(o=-0.049,f=-0.21) USER MOD Single : A 64 THR OG1 : rot 13:sc= -2.69! USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.168 F(o=-1,f=-0.17) USER MOD Single : A 83 SER OG : rot -51:sc= 0.162 USER MOD Single : A 86 GLN : amide:sc= -0.0291 X(o=-0.029,f=0) 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= 0.00166 USER MOD Single : A 98 TYR OH : rot -140:sc= 0.0443 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.867 USER MOD Single : A 105 GLN : amide:sc= -2.54! C(o=-2.5!,f=-4.8!) USER MOD Single : A 106 THR OG1 : rot 110:sc= -1.4 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -160:sc= -0.212! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 13.846 9.427 -1.577 1.00 0.00 N ATOM 351 CA VAL A 27 12.799 8.447 -1.811 1.00 0.00 C ATOM 352 C VAL A 27 12.904 7.929 -3.247 1.00 0.00 C ATOM 353 O VAL A 27 13.503 8.577 -4.103 1.00 0.00 O ATOM 354 CB VAL A 27 11.432 9.056 -1.493 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.220 9.168 0.018 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.266 10.416 -2.173 1.00 0.00 C ATOM 0 HA VAL A 27 12.921 7.591 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 27 10.667 8.388 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.241 9.604 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.274 8.176 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.994 9.804 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.286 10.827 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.042 11.096 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.352 10.296 -3.253 1.00 0.00 H new ATOM 366 N PRO A 28 12.295 6.733 -3.472 1.00 0.00 N ATOM 367 CA PRO A 28 12.314 6.120 -4.789 1.00 0.00 C ATOM 368 C PRO A 28 11.346 6.830 -5.738 1.00 0.00 C ATOM 369 O PRO A 28 10.827 7.898 -5.416 1.00 0.00 O ATOM 370 CB PRO A 28 11.950 4.664 -4.550 1.00 0.00 C ATOM 371 CG PRO A 28 11.290 4.618 -3.182 1.00 0.00 C ATOM 372 CD PRO A 28 11.576 5.937 -2.482 1.00 0.00 C ATOM 0 HA PRO A 28 13.286 6.199 -5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.273 4.299 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.836 4.030 -4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.216 4.464 -3.282 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.679 3.784 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.654 6.429 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.175 5.787 -1.584 1.00 0.00 H new ATOM 380 N GLY A 29 11.134 6.209 -6.889 1.00 0.00 N ATOM 381 CA GLY A 29 10.238 6.768 -7.887 1.00 0.00 C ATOM 382 C GLY A 29 8.913 6.004 -7.924 1.00 0.00 C ATOM 383 O GLY A 29 8.654 5.160 -7.067 1.00 0.00 O ATOM 0 H GLY A 29 11.567 5.324 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.050 7.818 -7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.711 6.730 -8.868 1.00 0.00 H new ATOM 387 N PRO A 30 8.088 6.334 -8.953 1.00 0.00 N ATOM 388 CA PRO A 30 6.796 5.688 -9.114 1.00 0.00 C ATOM 389 C PRO A 30 6.958 4.266 -9.655 1.00 0.00 C ATOM 390 O PRO A 30 7.703 4.041 -10.607 1.00 0.00 O ATOM 391 CB PRO A 30 6.017 6.595 -10.052 1.00 0.00 C ATOM 392 CG PRO A 30 7.052 7.465 -10.747 1.00 0.00 C ATOM 393 CD PRO A 30 8.361 7.328 -9.988 1.00 0.00 C ATOM 0 HA PRO A 30 6.266 5.565 -8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.448 6.012 -10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.301 7.205 -9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.178 7.154 -11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.727 8.505 -10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.168 7.004 -10.645 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.668 8.279 -9.553 1.00 0.00 H new ATOM 401 N PRO A 31 6.228 3.319 -9.007 1.00 0.00 N ATOM 402 CA PRO A 31 6.283 1.924 -9.413 1.00 0.00 C ATOM 403 C PRO A 31 5.495 1.698 -10.705 1.00 0.00 C ATOM 404 O PRO A 31 4.266 1.727 -10.700 1.00 0.00 O ATOM 405 CB PRO A 31 5.723 1.148 -8.232 1.00 0.00 C ATOM 406 CG PRO A 31 4.948 2.157 -7.400 1.00 0.00 C ATOM 407 CD PRO A 31 5.334 3.548 -7.876 1.00 0.00 C ATOM 0 HA PRO A 31 7.295 1.593 -9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.075 0.339 -8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.524 0.693 -7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.875 2.000 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.180 2.038 -6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.457 4.122 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.831 4.113 -7.087 1.00 0.00 H new ATOM 415 N MET A 32 6.236 1.477 -11.781 1.00 0.00 N ATOM 416 CA MET A 32 5.622 1.246 -13.078 1.00 0.00 C ATOM 417 C MET A 32 5.340 -0.242 -13.293 1.00 0.00 C ATOM 418 O MET A 32 5.917 -1.092 -12.616 1.00 0.00 O ATOM 419 CB MET A 32 6.553 1.754 -14.181 1.00 0.00 C ATOM 420 CG MET A 32 7.929 1.093 -14.085 1.00 0.00 C ATOM 421 SD MET A 32 8.820 1.312 -15.617 1.00 0.00 S ATOM 422 CE MET A 32 10.494 1.109 -15.033 1.00 0.00 C ATOM 0 H MET A 32 7.256 1.453 -11.781 1.00 0.00 H new ATOM 0 HA MET A 32 4.675 1.785 -13.113 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.113 1.547 -15.157 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.659 2.836 -14.102 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.494 1.528 -13.261 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.817 0.031 -13.869 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.186 1.216 -15.868 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.712 1.868 -14.282 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.608 0.119 -14.592 1.00 0.00 H new ATOM 432 N GLY A 33 4.452 -0.512 -14.238 1.00 0.00 N ATOM 433 CA GLY A 33 4.085 -1.883 -14.551 1.00 0.00 C ATOM 434 C GLY A 33 2.906 -2.346 -13.692 1.00 0.00 C ATOM 435 O GLY A 33 2.910 -3.462 -13.176 1.00 0.00 O ATOM 0 H GLY A 33 3.976 0.195 -14.798 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.823 -1.961 -15.606 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.940 -2.539 -14.385 1.00 0.00 H new ATOM 439 N ILE A 34 1.926 -1.464 -13.566 1.00 0.00 N ATOM 440 CA ILE A 34 0.743 -1.767 -12.779 1.00 0.00 C ATOM 441 C ILE A 34 -0.327 -2.375 -13.688 1.00 0.00 C ATOM 442 O ILE A 34 -0.973 -1.663 -14.455 1.00 0.00 O ATOM 443 CB ILE A 34 0.271 -0.525 -12.019 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.461 0.310 -11.542 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.660 -0.908 -10.867 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.411 -0.529 -10.685 1.00 0.00 C ATOM 0 H ILE A 34 1.927 -0.539 -13.996 1.00 0.00 H new ATOM 0 HA ILE A 34 0.974 -2.510 -12.016 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.305 0.097 -12.704 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.998 0.709 -12.402 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.103 1.163 -10.966 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.981 -0.007 -10.344 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.533 -1.428 -11.262 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.131 -1.562 -10.174 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.248 0.088 -10.359 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.877 -0.906 -9.813 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.786 -1.368 -11.272 1.00 0.00 H new ATOM 458 N LEU A 35 -0.481 -3.686 -13.571 1.00 0.00 N ATOM 459 CA LEU A 35 -1.462 -4.398 -14.373 1.00 0.00 C ATOM 460 C LEU A 35 -2.343 -5.249 -13.456 1.00 0.00 C ATOM 461 O LEU A 35 -1.927 -5.621 -12.360 1.00 0.00 O ATOM 462 CB LEU A 35 -0.771 -5.200 -15.478 1.00 0.00 C ATOM 463 CG LEU A 35 -0.033 -4.381 -16.539 1.00 0.00 C ATOM 464 CD1 LEU A 35 -1.004 -3.489 -17.316 1.00 0.00 C ATOM 465 CD2 LEU A 35 1.109 -3.577 -15.916 1.00 0.00 C ATOM 0 H LEU A 35 0.057 -4.273 -12.934 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.119 -3.694 -14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.059 -5.882 -15.014 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.521 -5.814 -15.977 1.00 0.00 H new ATOM 0 HG LEU A 35 0.413 -5.072 -17.254 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.454 -2.918 -18.064 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.751 -4.109 -17.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.499 -2.804 -16.628 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.616 -3.004 -16.692 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.707 -2.895 -15.166 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.818 -4.257 -15.445 1.00 0.00 H new ATOM 477 N PHE A 36 -3.544 -5.532 -13.938 1.00 0.00 N ATOM 478 CA PHE A 36 -4.487 -6.332 -13.176 1.00 0.00 C ATOM 479 C PHE A 36 -4.847 -7.617 -13.924 1.00 0.00 C ATOM 480 O PHE A 36 -5.764 -7.626 -14.744 1.00 0.00 O ATOM 481 CB PHE A 36 -5.751 -5.487 -13.000 1.00 0.00 C ATOM 482 CG PHE A 36 -5.589 -4.320 -12.025 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.841 -4.500 -10.701 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.192 -3.102 -12.482 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.690 -3.417 -9.795 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.041 -2.018 -11.576 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.294 -2.198 -10.252 1.00 0.00 C ATOM 0 H PHE A 36 -3.886 -5.221 -14.847 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.048 -6.612 -12.218 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.052 -5.096 -13.972 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.559 -6.129 -12.650 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.156 -5.467 -10.338 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.992 -2.959 -13.534 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.889 -3.561 -8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.725 -1.051 -11.939 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.181 -1.374 -9.563 1.00 0.00 H new ATOM 497 N PRO A 37 -4.087 -8.699 -13.606 1.00 0.00 N ATOM 498 CA PRO A 37 -4.317 -9.987 -14.239 1.00 0.00 C ATOM 499 C PRO A 37 -5.571 -10.659 -13.676 1.00 0.00 C ATOM 500 O PRO A 37 -6.445 -11.082 -14.431 1.00 0.00 O ATOM 501 CB PRO A 37 -3.049 -10.784 -13.980 1.00 0.00 C ATOM 502 CG PRO A 37 -2.349 -10.090 -12.823 1.00 0.00 C ATOM 503 CD PRO A 37 -2.994 -8.726 -12.639 1.00 0.00 C ATOM 0 HA PRO A 37 -4.507 -9.902 -15.309 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.282 -11.819 -13.731 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.413 -10.805 -14.865 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.440 -10.681 -11.912 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.284 -9.984 -13.029 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.362 -8.596 -11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.281 -7.923 -12.825 1.00 0.00 H new ATOM 511 N GLU A 38 -5.620 -10.736 -12.354 1.00 0.00 N ATOM 512 CA GLU A 38 -6.752 -11.349 -11.681 1.00 0.00 C ATOM 513 C GLU A 38 -7.471 -10.320 -10.807 1.00 0.00 C ATOM 514 O GLU A 38 -6.930 -9.872 -9.797 1.00 0.00 O ATOM 515 CB GLU A 38 -6.310 -12.558 -10.855 1.00 0.00 C ATOM 516 CG GLU A 38 -7.499 -13.192 -10.130 1.00 0.00 C ATOM 517 CD GLU A 38 -7.033 -14.268 -9.148 1.00 0.00 C ATOM 518 OE1 GLU A 38 -5.999 -14.025 -8.489 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.721 -15.309 -9.078 1.00 0.00 O ATOM 0 H GLU A 38 -4.893 -10.384 -11.731 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.451 -11.704 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.841 -13.296 -11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.558 -12.251 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.055 -12.423 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.182 -13.630 -10.858 1.00 0.00 H new ATOM 526 N VAL A 39 -8.679 -9.974 -11.226 1.00 0.00 N ATOM 527 CA VAL A 39 -9.477 -9.006 -10.494 1.00 0.00 C ATOM 528 C VAL A 39 -10.939 -9.457 -10.489 1.00 0.00 C ATOM 529 O VAL A 39 -11.558 -9.583 -11.544 1.00 0.00 O ATOM 530 CB VAL A 39 -9.284 -7.610 -11.090 1.00 0.00 C ATOM 531 CG1 VAL A 39 -8.816 -7.695 -12.544 1.00 0.00 C ATOM 532 CG2 VAL A 39 -10.565 -6.782 -10.973 1.00 0.00 C ATOM 0 H VAL A 39 -9.125 -10.347 -12.064 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.150 -8.949 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.506 -7.105 -10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.686 -6.689 -12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.867 -8.229 -12.590 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.561 -8.227 -13.135 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.401 -5.794 -11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.372 -7.282 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.837 -6.679 -9.922 1.00 0.00 H new ATOM 542 N ARG A 40 -11.450 -9.687 -9.288 1.00 0.00 N ATOM 543 CA ARG A 40 -12.828 -10.121 -9.131 1.00 0.00 C ATOM 544 C ARG A 40 -13.670 -9.001 -8.517 1.00 0.00 C ATOM 545 O ARG A 40 -13.261 -7.841 -8.515 1.00 0.00 O ATOM 546 CB ARG A 40 -12.917 -11.363 -8.242 1.00 0.00 C ATOM 547 CG ARG A 40 -11.690 -12.259 -8.428 1.00 0.00 C ATOM 548 CD ARG A 40 -11.808 -13.531 -7.586 1.00 0.00 C ATOM 549 NE ARG A 40 -12.526 -14.577 -8.348 1.00 0.00 N ATOM 550 CZ ARG A 40 -12.945 -15.736 -7.822 1.00 0.00 C ATOM 551 NH1 ARG A 40 -12.720 -16.005 -6.528 1.00 0.00 N ATOM 552 NH2 ARG A 40 -13.588 -16.627 -8.589 1.00 0.00 N ATOM 0 H ARG A 40 -10.934 -9.581 -8.414 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.212 -10.369 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.997 -11.062 -7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.821 -11.923 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.584 -12.523 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.790 -11.713 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.816 -13.887 -7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.339 -13.315 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.714 -14.405 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.230 -15.327 -5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.039 -16.887 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.759 -16.423 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.907 -17.509 -8.188 1.00 0.00 H new ATOM 566 N THR A 41 -14.832 -9.388 -8.010 1.00 0.00 N ATOM 567 CA THR A 41 -15.735 -8.432 -7.394 1.00 0.00 C ATOM 568 C THR A 41 -15.131 -7.884 -6.099 1.00 0.00 C ATOM 569 O THR A 41 -14.439 -6.868 -6.114 1.00 0.00 O ATOM 570 CB THR A 41 -17.086 -9.120 -7.190 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.746 -10.475 -6.906 1.00 0.00 O ATOM 572 CG2 THR A 41 -17.901 -9.205 -8.482 1.00 0.00 C ATOM 0 H THR A 41 -15.168 -10.351 -8.014 1.00 0.00 H new ATOM 0 HA THR A 41 -15.889 -7.565 -8.036 1.00 0.00 H new ATOM 0 HB THR A 41 -17.657 -8.580 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 41 -16.906 -11.026 -7.701 1.00 0.00 H new ATOM 0 HG21 THR A 41 -18.850 -9.702 -8.281 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.090 -8.200 -8.860 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.344 -9.774 -9.227 1.00 0.00 H new ATOM 580 N THR A 42 -15.415 -8.583 -5.010 1.00 0.00 N ATOM 581 CA THR A 42 -14.908 -8.180 -3.709 1.00 0.00 C ATOM 582 C THR A 42 -13.530 -8.796 -3.460 1.00 0.00 C ATOM 583 O THR A 42 -13.127 -8.981 -2.312 1.00 0.00 O ATOM 584 CB THR A 42 -15.947 -8.568 -2.656 1.00 0.00 C ATOM 585 OG1 THR A 42 -15.958 -9.993 -2.688 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.369 -8.175 -3.063 1.00 0.00 C ATOM 0 H THR A 42 -15.990 -9.426 -5.002 1.00 0.00 H new ATOM 0 HA THR A 42 -14.761 -7.101 -3.658 1.00 0.00 H new ATOM 0 HB THR A 42 -15.697 -8.093 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.605 -10.330 -2.033 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.067 -8.473 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.422 -7.095 -3.204 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.632 -8.676 -3.994 1.00 0.00 H new ATOM 594 N SER A 43 -12.845 -9.097 -4.553 1.00 0.00 N ATOM 595 CA SER A 43 -11.520 -9.688 -4.467 1.00 0.00 C ATOM 596 C SER A 43 -10.774 -9.494 -5.788 1.00 0.00 C ATOM 597 O SER A 43 -11.193 -10.011 -6.823 1.00 0.00 O ATOM 598 CB SER A 43 -11.603 -11.175 -4.117 1.00 0.00 C ATOM 599 OG SER A 43 -12.624 -11.842 -4.855 1.00 0.00 O ATOM 0 H SER A 43 -13.182 -8.943 -5.503 1.00 0.00 H new ATOM 0 HA SER A 43 -10.971 -9.185 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.642 -11.649 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.796 -11.286 -3.050 1.00 0.00 H new ATOM 0 HG SER A 43 -12.643 -12.789 -4.604 1.00 0.00 H new ATOM 605 N VAL A 44 -9.682 -8.749 -5.710 1.00 0.00 N ATOM 606 CA VAL A 44 -8.873 -8.480 -6.887 1.00 0.00 C ATOM 607 C VAL A 44 -7.407 -8.787 -6.574 1.00 0.00 C ATOM 608 O VAL A 44 -7.041 -8.966 -5.414 1.00 0.00 O ATOM 609 CB VAL A 44 -9.095 -7.042 -7.358 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.583 -6.684 -7.344 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.287 -6.057 -6.511 1.00 0.00 C ATOM 0 H VAL A 44 -9.338 -8.323 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.172 -9.127 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.742 -6.968 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.713 -5.656 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.125 -7.357 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.972 -6.784 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.463 -5.042 -6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.596 -6.135 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.226 -6.292 -6.593 1.00 0.00 H new ATOM 621 N ARG A 45 -6.608 -8.839 -7.630 1.00 0.00 N ATOM 622 CA ARG A 45 -5.190 -9.121 -7.483 1.00 0.00 C ATOM 623 C ARG A 45 -4.398 -8.462 -8.614 1.00 0.00 C ATOM 624 O ARG A 45 -4.419 -8.936 -9.749 1.00 0.00 O ATOM 625 CB ARG A 45 -4.925 -10.627 -7.493 1.00 0.00 C ATOM 626 CG ARG A 45 -3.442 -10.924 -7.261 1.00 0.00 C ATOM 627 CD ARG A 45 -3.021 -12.209 -7.978 1.00 0.00 C ATOM 628 NE ARG A 45 -3.300 -13.382 -7.120 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.578 -13.710 -6.039 1.00 0.00 C ATOM 630 NH1 ARG A 45 -1.531 -12.956 -5.678 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.904 -14.792 -5.319 1.00 0.00 N ATOM 0 H ARG A 45 -6.916 -8.691 -8.591 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.868 -8.714 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.522 -11.110 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.239 -11.049 -8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.840 -10.089 -7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.250 -11.020 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.559 -12.302 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.959 -12.169 -8.220 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.090 -13.978 -7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.283 -12.132 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.982 -13.206 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.701 -15.366 -5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.355 -15.042 -4.497 1.00 0.00 H new ATOM 645 N LEU A 46 -3.717 -7.381 -8.264 1.00 0.00 N ATOM 646 CA LEU A 46 -2.919 -6.652 -9.236 1.00 0.00 C ATOM 647 C LEU A 46 -1.436 -6.928 -8.981 1.00 0.00 C ATOM 648 O LEU A 46 -1.076 -7.510 -7.959 1.00 0.00 O ATOM 649 CB LEU A 46 -3.280 -5.166 -9.219 1.00 0.00 C ATOM 650 CG LEU A 46 -2.382 -4.267 -8.366 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.456 -2.813 -8.837 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.721 -4.407 -6.880 1.00 0.00 C ATOM 0 H LEU A 46 -3.701 -6.992 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.139 -6.998 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.262 -4.796 -10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.305 -5.066 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.350 -4.594 -8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.809 -2.195 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.129 -2.750 -9.875 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.483 -2.457 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.069 -3.758 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.760 -4.121 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.576 -5.442 -6.570 1.00 0.00 H new ATOM 664 N ILE A 47 -0.615 -6.497 -9.928 1.00 0.00 N ATOM 665 CA ILE A 47 0.821 -6.691 -9.818 1.00 0.00 C ATOM 666 C ILE A 47 1.538 -5.408 -10.245 1.00 0.00 C ATOM 667 O ILE A 47 0.998 -4.620 -11.020 1.00 0.00 O ATOM 668 CB ILE A 47 1.256 -7.929 -10.604 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.417 -7.607 -12.091 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.291 -9.094 -10.371 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.066 -7.283 -12.731 1.00 0.00 C ATOM 0 H ILE A 47 -0.917 -6.014 -10.774 1.00 0.00 H new ATOM 0 HA ILE A 47 1.101 -6.885 -8.783 1.00 0.00 H new ATOM 0 HB ILE A 47 2.233 -8.241 -10.235 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.093 -6.761 -12.212 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.872 -8.455 -12.603 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.623 -9.961 -10.941 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.271 -9.343 -9.310 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.710 -8.808 -10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.209 -7.058 -13.788 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.600 -8.140 -12.629 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.375 -6.420 -12.232 1.00 0.00 H new ATOM 683 N TRP A 48 2.743 -5.240 -9.722 1.00 0.00 N ATOM 684 CA TRP A 48 3.539 -4.066 -10.039 1.00 0.00 C ATOM 685 C TRP A 48 5.007 -4.494 -10.101 1.00 0.00 C ATOM 686 O TRP A 48 5.325 -5.664 -9.897 1.00 0.00 O ATOM 687 CB TRP A 48 3.286 -2.943 -9.032 1.00 0.00 C ATOM 688 CG TRP A 48 3.764 -3.259 -7.614 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.919 -2.903 -7.034 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.049 -4.014 -6.613 1.00 0.00 C ATOM 691 NE1 TRP A 48 5.000 -3.372 -5.739 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.827 -4.068 -5.474 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.786 -4.630 -6.668 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.429 -4.729 -4.305 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.404 -5.285 -5.492 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.175 -5.350 -4.337 1.00 0.00 C ATOM 0 H TRP A 48 3.188 -5.897 -9.081 1.00 0.00 H new ATOM 0 HA TRP A 48 3.254 -3.657 -11.008 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.785 -2.038 -9.379 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.218 -2.727 -9.005 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.689 -2.322 -7.519 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.778 -3.233 -5.094 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.161 -4.600 -7.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.056 -4.758 -3.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.442 -5.775 -5.481 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.808 -5.877 -3.469 1.00 0.00 H new ATOM 707 N GLN A 49 5.862 -3.522 -10.384 1.00 0.00 N ATOM 708 CA GLN A 49 7.288 -3.783 -10.475 1.00 0.00 C ATOM 709 C GLN A 49 8.076 -2.676 -9.771 1.00 0.00 C ATOM 710 O GLN A 49 7.545 -1.597 -9.515 1.00 0.00 O ATOM 711 CB GLN A 49 7.727 -3.925 -11.934 1.00 0.00 C ATOM 712 CG GLN A 49 7.613 -5.378 -12.401 1.00 0.00 C ATOM 713 CD GLN A 49 8.003 -5.512 -13.875 1.00 0.00 C ATOM 714 OE1 GLN A 49 8.895 -4.844 -14.371 1.00 0.00 O ATOM 715 NE2 GLN A 49 7.286 -6.410 -14.545 1.00 0.00 N ATOM 0 H GLN A 49 5.594 -2.552 -10.553 1.00 0.00 H new ATOM 0 HA GLN A 49 7.498 -4.727 -9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.111 -3.286 -12.567 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.756 -3.584 -12.043 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.258 -6.011 -11.791 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.592 -5.731 -12.258 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.553 -6.936 -14.069 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.469 -6.573 -15.535 1.00 0.00 H new ATOM 724 N PRO A 50 9.365 -2.991 -9.471 1.00 0.00 N ATOM 725 CA PRO A 50 10.232 -2.036 -8.801 1.00 0.00 C ATOM 726 C PRO A 50 10.688 -0.940 -9.766 1.00 0.00 C ATOM 727 O PRO A 50 10.815 -1.177 -10.966 1.00 0.00 O ATOM 728 CB PRO A 50 11.384 -2.865 -8.257 1.00 0.00 C ATOM 729 CG PRO A 50 11.361 -4.171 -9.034 1.00 0.00 C ATOM 730 CD PRO A 50 10.028 -4.259 -9.759 1.00 0.00 C ATOM 0 HA PRO A 50 9.728 -1.502 -7.995 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.334 -2.348 -8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.266 -3.044 -7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.186 -4.206 -9.746 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.486 -5.018 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.169 -4.398 -10.831 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.439 -5.104 -9.403 1.00 0.00 H new ATOM 738 N PRO A 51 10.929 0.269 -9.190 1.00 0.00 N ATOM 739 CA PRO A 51 11.368 1.403 -9.986 1.00 0.00 C ATOM 740 C PRO A 51 12.839 1.259 -10.380 1.00 0.00 C ATOM 741 O PRO A 51 13.711 1.172 -9.516 1.00 0.00 O ATOM 742 CB PRO A 51 11.103 2.620 -9.115 1.00 0.00 C ATOM 743 CG PRO A 51 10.960 2.095 -7.696 1.00 0.00 C ATOM 744 CD PRO A 51 10.789 0.587 -7.772 1.00 0.00 C ATOM 0 HA PRO A 51 10.835 1.484 -10.934 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.922 3.336 -9.186 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.198 3.138 -9.433 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.839 2.350 -7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.101 2.552 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.542 0.073 -7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.815 0.279 -7.391 1.00 0.00 H new ATOM 752 N ALA A 52 13.070 1.237 -11.684 1.00 0.00 N ATOM 753 CA ALA A 52 14.421 1.105 -12.203 1.00 0.00 C ATOM 754 C ALA A 52 15.363 1.997 -11.393 1.00 0.00 C ATOM 755 O ALA A 52 16.555 1.711 -11.283 1.00 0.00 O ATOM 756 CB ALA A 52 14.431 1.447 -13.694 1.00 0.00 C ATOM 0 H ALA A 52 12.344 1.308 -12.397 1.00 0.00 H new ATOM 0 HA ALA A 52 14.772 0.078 -12.102 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.444 1.348 -14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.769 0.765 -14.228 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.087 2.472 -13.835 1.00 0.00 H new ATOM 762 N ALA A 53 14.794 3.062 -10.847 1.00 0.00 N ATOM 763 CA ALA A 53 15.569 3.998 -10.050 1.00 0.00 C ATOM 764 C ALA A 53 15.049 3.989 -8.611 1.00 0.00 C ATOM 765 O ALA A 53 14.196 4.798 -8.250 1.00 0.00 O ATOM 766 CB ALA A 53 15.500 5.388 -10.686 1.00 0.00 C ATOM 0 H ALA A 53 13.806 3.297 -10.941 1.00 0.00 H new ATOM 0 HA ALA A 53 16.618 3.703 -10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.081 6.091 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.908 5.347 -11.696 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.462 5.718 -10.727 1.00 0.00 H new ATOM 772 N PRO A 54 15.600 3.040 -7.808 1.00 0.00 N ATOM 773 CA PRO A 54 15.201 2.914 -6.416 1.00 0.00 C ATOM 774 C PRO A 54 15.809 4.033 -5.568 1.00 0.00 C ATOM 775 O PRO A 54 15.207 4.472 -4.590 1.00 0.00 O ATOM 776 CB PRO A 54 15.669 1.530 -5.996 1.00 0.00 C ATOM 777 CG PRO A 54 16.716 1.116 -7.018 1.00 0.00 C ATOM 778 CD PRO A 54 16.612 2.064 -8.201 1.00 0.00 C ATOM 0 HA PRO A 54 14.125 3.015 -6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.090 1.548 -4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.838 0.825 -5.980 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.714 1.159 -6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.552 0.087 -7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.568 2.546 -8.407 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.320 1.535 -9.108 1.00 0.00 H new ATOM 786 N ASN A 55 16.995 4.463 -5.975 1.00 0.00 N ATOM 787 CA ASN A 55 17.691 5.522 -5.265 1.00 0.00 C ATOM 788 C ASN A 55 17.474 5.350 -3.760 1.00 0.00 C ATOM 789 O ASN A 55 17.337 6.332 -3.033 1.00 0.00 O ATOM 790 CB ASN A 55 17.154 6.898 -5.665 1.00 0.00 C ATOM 791 CG ASN A 55 15.634 6.964 -5.499 1.00 0.00 C ATOM 792 OD1 ASN A 55 15.098 6.846 -4.410 1.00 0.00 O ATOM 793 ND2 ASN A 55 14.974 7.157 -6.637 1.00 0.00 N ATOM 0 H ASN A 55 17.491 4.097 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 55 18.749 5.459 -5.519 1.00 0.00 H new ATOM 0 HB2 ASN A 55 17.624 7.668 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 55 17.420 7.109 -6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.956 7.215 -6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.486 7.248 -7.514 1.00 0.00 H new ATOM 800 N GLY A 56 17.449 4.094 -3.338 1.00 0.00 N ATOM 801 CA GLY A 56 17.252 3.780 -1.934 1.00 0.00 C ATOM 802 C GLY A 56 16.631 2.392 -1.764 1.00 0.00 C ATOM 803 O GLY A 56 15.634 2.071 -2.409 1.00 0.00 O ATOM 0 H GLY A 56 17.562 3.282 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.207 3.821 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.606 4.530 -1.477 1.00 0.00 H new ATOM 807 N ILE A 57 17.247 1.606 -0.892 1.00 0.00 N ATOM 808 CA ILE A 57 16.767 0.260 -0.630 1.00 0.00 C ATOM 809 C ILE A 57 15.311 0.324 -0.166 1.00 0.00 C ATOM 810 O ILE A 57 14.962 1.139 0.687 1.00 0.00 O ATOM 811 CB ILE A 57 17.695 -0.457 0.353 1.00 0.00 C ATOM 812 CG1 ILE A 57 18.901 -1.058 -0.371 1.00 0.00 C ATOM 813 CG2 ILE A 57 16.931 -1.506 1.163 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.415 -0.113 -1.458 1.00 0.00 C ATOM 0 H ILE A 57 18.074 1.876 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 57 16.785 -0.336 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 57 18.078 0.279 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.697 -1.260 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.623 -2.013 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.614 -2.001 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.134 -1.021 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.500 -2.245 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.272 -0.565 -1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.625 0.068 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.715 0.833 -1.006 1.00 0.00 H new ATOM 826 N ILE A 58 14.499 -0.547 -0.748 1.00 0.00 N ATOM 827 CA ILE A 58 13.088 -0.600 -0.405 1.00 0.00 C ATOM 828 C ILE A 58 12.912 -1.398 0.889 1.00 0.00 C ATOM 829 O ILE A 58 13.445 -2.498 1.021 1.00 0.00 O ATOM 830 CB ILE A 58 12.271 -1.144 -1.579 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.652 -0.442 -2.884 1.00 0.00 C ATOM 832 CG2 ILE A 58 10.771 -1.050 -1.293 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.234 1.030 -2.856 1.00 0.00 C ATOM 0 H ILE A 58 14.792 -1.222 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 58 12.704 0.403 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 58 12.509 -2.201 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.728 -0.515 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.173 -0.944 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.213 -1.443 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.533 -1.632 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.496 -0.008 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.516 1.506 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.154 1.099 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.734 1.534 -2.029 1.00 0.00 H new ATOM 845 N LEU A 59 12.162 -0.811 1.810 1.00 0.00 N ATOM 846 CA LEU A 59 11.909 -1.454 3.089 1.00 0.00 C ATOM 847 C LEU A 59 10.539 -2.135 3.050 1.00 0.00 C ATOM 848 O LEU A 59 10.277 -3.055 3.824 1.00 0.00 O ATOM 849 CB LEU A 59 12.064 -0.450 4.233 1.00 0.00 C ATOM 850 CG LEU A 59 13.474 0.100 4.456 1.00 0.00 C ATOM 851 CD1 LEU A 59 14.248 0.176 3.138 1.00 0.00 C ATOM 852 CD2 LEU A 59 13.429 1.451 5.173 1.00 0.00 C ATOM 0 H LEU A 59 11.722 0.102 1.697 1.00 0.00 H new ATOM 0 HA LEU A 59 12.648 -2.233 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.393 0.389 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.731 -0.926 5.155 1.00 0.00 H new ATOM 0 HG LEU A 59 14.011 -0.591 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.247 0.570 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.327 -0.821 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.723 0.833 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.444 1.819 5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.867 2.164 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.943 1.333 6.142 1.00 0.00 H new ATOM 864 N ALA A 60 9.701 -1.657 2.142 1.00 0.00 N ATOM 865 CA ALA A 60 8.365 -2.208 1.992 1.00 0.00 C ATOM 866 C ALA A 60 7.592 -1.387 0.958 1.00 0.00 C ATOM 867 O ALA A 60 8.164 -0.525 0.292 1.00 0.00 O ATOM 868 CB ALA A 60 7.669 -2.235 3.354 1.00 0.00 C ATOM 0 H ALA A 60 9.922 -0.894 1.502 1.00 0.00 H new ATOM 0 HA ALA A 60 8.412 -3.235 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.667 -2.648 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.242 -2.855 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.602 -1.221 3.748 1.00 0.00 H new ATOM 874 N TYR A 61 6.305 -1.683 0.857 1.00 0.00 N ATOM 875 CA TYR A 61 5.448 -0.983 -0.085 1.00 0.00 C ATOM 876 C TYR A 61 4.075 -0.701 0.529 1.00 0.00 C ATOM 877 O TYR A 61 3.734 -1.248 1.576 1.00 0.00 O ATOM 878 CB TYR A 61 5.276 -1.925 -1.278 1.00 0.00 C ATOM 879 CG TYR A 61 6.437 -1.887 -2.274 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.561 -2.655 -2.052 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.360 -1.084 -3.394 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.654 -2.619 -2.989 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.453 -1.048 -4.330 1.00 0.00 C ATOM 884 CZ TYR A 61 8.546 -1.817 -4.082 1.00 0.00 C ATOM 885 OH TYR A 61 9.579 -1.784 -4.966 1.00 0.00 O ATOM 0 H TYR A 61 5.835 -2.398 1.412 1.00 0.00 H new ATOM 0 HA TYR A 61 5.888 -0.027 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.160 -2.944 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.354 -1.669 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.621 -3.283 -1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.480 -0.483 -3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.540 -3.216 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.406 -0.424 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 61 9.363 -1.170 -5.698 1.00 0.00 H new ATOM 895 N GLN A 62 3.324 0.154 -0.150 1.00 0.00 N ATOM 896 CA GLN A 62 1.996 0.517 0.316 1.00 0.00 C ATOM 897 C GLN A 62 0.989 0.431 -0.833 1.00 0.00 C ATOM 898 O GLN A 62 1.265 0.891 -1.940 1.00 0.00 O ATOM 899 CB GLN A 62 1.996 1.913 0.941 1.00 0.00 C ATOM 900 CG GLN A 62 0.594 2.302 1.415 1.00 0.00 C ATOM 901 CD GLN A 62 0.439 3.823 1.479 1.00 0.00 C ATOM 902 OE1 GLN A 62 0.582 4.529 0.495 1.00 0.00 O ATOM 903 NE2 GLN A 62 0.140 4.285 2.690 1.00 0.00 N ATOM 0 H GLN A 62 3.610 0.606 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 62 1.698 -0.191 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.688 1.938 1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.353 2.641 0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.151 1.885 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.407 1.872 2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.034 3.638 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.016 5.287 2.837 1.00 0.00 H new ATOM 912 N ILE A 63 -0.157 -0.162 -0.531 1.00 0.00 N ATOM 913 CA ILE A 63 -1.206 -0.314 -1.525 1.00 0.00 C ATOM 914 C ILE A 63 -2.509 0.271 -0.977 1.00 0.00 C ATOM 915 O ILE A 63 -3.126 -0.306 -0.083 1.00 0.00 O ATOM 916 CB ILE A 63 -1.323 -1.776 -1.961 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.730 -1.981 -3.356 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.772 -2.258 -1.877 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.178 -3.212 -3.390 1.00 0.00 C ATOM 0 H ILE A 63 -0.382 -0.543 0.388 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.960 0.245 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.740 -2.386 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.534 -2.097 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.162 -1.097 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.828 -3.300 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.126 -2.170 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.397 -1.648 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.587 -3.335 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.994 -3.082 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.399 -4.097 -3.122 1.00 0.00 H new ATOM 931 N THR A 64 -2.890 1.410 -1.537 1.00 0.00 N ATOM 932 CA THR A 64 -4.109 2.079 -1.116 1.00 0.00 C ATOM 933 C THR A 64 -5.218 1.867 -2.149 1.00 0.00 C ATOM 934 O THR A 64 -4.991 2.018 -3.348 1.00 0.00 O ATOM 935 CB THR A 64 -3.780 3.554 -0.873 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.761 4.125 -2.178 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.354 3.757 -0.356 1.00 0.00 C ATOM 0 H THR A 64 -2.376 1.886 -2.278 1.00 0.00 H new ATOM 0 HA THR A 64 -4.489 1.658 -0.185 1.00 0.00 H new ATOM 0 HB THR A 64 -4.489 3.971 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.148 3.492 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.171 4.820 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.230 3.225 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.644 3.370 -1.087 1.00 0.00 H new ATOM 945 N HIS A 65 -6.393 1.521 -1.645 1.00 0.00 N ATOM 946 CA HIS A 65 -7.538 1.286 -2.509 1.00 0.00 C ATOM 947 C HIS A 65 -8.753 2.041 -1.967 1.00 0.00 C ATOM 948 O HIS A 65 -9.035 1.994 -0.770 1.00 0.00 O ATOM 949 CB HIS A 65 -7.796 -0.213 -2.674 1.00 0.00 C ATOM 950 CG HIS A 65 -8.407 -0.868 -1.458 1.00 0.00 C ATOM 951 ND1 HIS A 65 -9.665 -0.786 -0.938 1.00 0.00 N flip ATOM 952 CD2 HIS A 65 -7.698 -1.722 -0.631 1.00 0.00 C flip ATOM 953 CE1 HIS A 65 -9.722 -1.548 0.147 1.00 0.00 C flip ATOM 954 NE2 HIS A 65 -8.503 -2.129 0.339 1.00 0.00 N flip ATOM 0 H HIS A 65 -6.577 1.398 -0.649 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.330 1.671 -3.507 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.457 -0.366 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.854 -0.710 -2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.664 -2.008 -0.755 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.590 -1.685 0.774 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -8.255 -2.765 1.097 1.00 0.00 H new ATOM 962 N ARG A 66 -9.441 2.720 -2.873 1.00 0.00 N ATOM 963 CA ARG A 66 -10.619 3.484 -2.501 1.00 0.00 C ATOM 964 C ARG A 66 -11.458 3.803 -3.740 1.00 0.00 C ATOM 965 O ARG A 66 -10.924 4.231 -4.762 1.00 0.00 O ATOM 966 CB ARG A 66 -10.232 4.791 -1.806 1.00 0.00 C ATOM 967 CG ARG A 66 -9.600 5.772 -2.795 1.00 0.00 C ATOM 968 CD ARG A 66 -8.625 6.714 -2.086 1.00 0.00 C ATOM 969 NE ARG A 66 -8.012 7.639 -3.065 1.00 0.00 N ATOM 970 CZ ARG A 66 -8.649 8.684 -3.612 1.00 0.00 C ATOM 971 NH1 ARG A 66 -9.921 8.942 -3.279 1.00 0.00 N ATOM 972 NH2 ARG A 66 -8.014 9.469 -4.492 1.00 0.00 N ATOM 0 H ARG A 66 -9.205 2.757 -3.865 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.202 2.877 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.116 5.243 -1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.532 4.583 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.076 5.220 -3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.381 6.353 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.149 7.281 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.849 6.137 -1.584 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.044 7.471 -3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.404 8.343 -2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.406 9.737 -3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.046 9.272 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.498 10.264 -4.908 1.00 0.00 H new ATOM 986 N LEU A 67 -12.758 3.583 -3.609 1.00 0.00 N ATOM 987 CA LEU A 67 -13.676 3.842 -4.705 1.00 0.00 C ATOM 988 C LEU A 67 -13.242 5.112 -5.439 1.00 0.00 C ATOM 989 O LEU A 67 -13.068 6.161 -4.821 1.00 0.00 O ATOM 990 CB LEU A 67 -15.118 3.888 -4.197 1.00 0.00 C ATOM 991 CG LEU A 67 -15.844 2.543 -4.117 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.586 2.243 -5.421 1.00 0.00 C ATOM 993 CD2 LEU A 67 -14.878 1.420 -3.735 1.00 0.00 C ATOM 0 H LEU A 67 -13.198 3.228 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.644 3.028 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.118 4.338 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.691 4.549 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.593 2.605 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.093 1.282 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.320 3.026 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.873 2.207 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.420 0.475 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.090 1.347 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.435 1.636 -2.763 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.801 -0.670 2.719 1.00 0.00 N ATOM 1140 CA GLU A 78 -2.120 -1.819 3.291 1.00 0.00 C ATOM 1141 C GLU A 78 -0.626 -1.768 2.964 1.00 0.00 C ATOM 1142 O GLU A 78 -0.245 -1.480 1.830 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.744 -3.126 2.801 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.863 -4.324 3.161 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.665 -5.389 3.912 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.648 -4.996 4.576 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -2.276 -6.572 3.805 1.00 0.00 O ATOM 0 HA GLU A 78 -2.236 -1.783 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.732 -3.250 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.883 -3.084 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.440 -4.755 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.026 -3.993 3.776 1.00 0.00 H new ATOM 1154 N VAL A 79 0.179 -2.052 3.976 1.00 0.00 N ATOM 1155 CA VAL A 79 1.623 -2.043 3.810 1.00 0.00 C ATOM 1156 C VAL A 79 2.095 -3.442 3.411 1.00 0.00 C ATOM 1157 O VAL A 79 1.637 -4.438 3.969 1.00 0.00 O ATOM 1158 CB VAL A 79 2.293 -1.526 5.085 1.00 0.00 C ATOM 1159 CG1 VAL A 79 3.646 -2.205 5.307 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.443 -0.004 5.048 1.00 0.00 C ATOM 0 H VAL A 79 -0.141 -2.290 4.915 1.00 0.00 H new ATOM 0 HA VAL A 79 1.911 -1.363 3.009 1.00 0.00 H new ATOM 0 HB VAL A 79 1.649 -1.778 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.101 -1.820 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.502 -3.281 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.300 -1.998 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.922 0.337 5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.055 0.281 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.459 0.457 4.960 1.00 0.00 H new ATOM 1170 N LEU A 80 3.005 -3.473 2.449 1.00 0.00 N ATOM 1171 CA LEU A 80 3.545 -4.733 1.969 1.00 0.00 C ATOM 1172 C LEU A 80 5.056 -4.761 2.208 1.00 0.00 C ATOM 1173 O LEU A 80 5.645 -3.754 2.598 1.00 0.00 O ATOM 1174 CB LEU A 80 3.149 -4.964 0.509 1.00 0.00 C ATOM 1175 CG LEU A 80 1.678 -5.300 0.258 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.142 -4.541 -0.958 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.475 -6.811 0.125 1.00 0.00 C ATOM 0 H LEU A 80 3.382 -2.645 1.989 1.00 0.00 H new ATOM 0 HA LEU A 80 3.119 -5.567 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.399 -4.069 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.759 -5.775 0.112 1.00 0.00 H new ATOM 0 HG LEU A 80 1.101 -4.972 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.094 -4.798 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.231 -3.468 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.719 -4.815 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.421 -7.022 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.066 -7.185 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.794 -7.303 1.044 1.00 0.00 H new ATOM 1189 N ALA A 81 5.640 -5.925 1.965 1.00 0.00 N ATOM 1190 CA ALA A 81 7.071 -6.097 2.149 1.00 0.00 C ATOM 1191 C ALA A 81 7.812 -5.477 0.962 1.00 0.00 C ATOM 1192 O ALA A 81 7.198 -5.136 -0.048 1.00 0.00 O ATOM 1193 CB ALA A 81 7.389 -7.583 2.322 1.00 0.00 C ATOM 0 H ALA A 81 5.148 -6.758 1.642 1.00 0.00 H new ATOM 0 HA ALA A 81 7.406 -5.585 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.463 -7.712 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.862 -7.969 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.069 -8.129 1.435 1.00 0.00 H new ATOM 1199 N PRO A 82 9.155 -5.345 1.128 1.00 0.00 N ATOM 1200 CA PRO A 82 9.986 -4.772 0.083 1.00 0.00 C ATOM 1201 C PRO A 82 10.190 -5.766 -1.062 1.00 0.00 C ATOM 1202 O PRO A 82 10.723 -5.409 -2.112 1.00 0.00 O ATOM 1203 CB PRO A 82 11.284 -4.391 0.777 1.00 0.00 C ATOM 1204 CG PRO A 82 11.311 -5.183 2.074 1.00 0.00 C ATOM 1205 CD PRO A 82 9.916 -5.738 2.311 1.00 0.00 C ATOM 0 HA PRO A 82 9.530 -3.900 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.145 -4.632 0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.322 -3.319 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.038 -5.993 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.614 -4.545 2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.935 -6.822 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.476 -5.328 3.220 1.00 0.00 H new ATOM 1213 N SER A 83 9.754 -6.994 -0.822 1.00 0.00 N ATOM 1214 CA SER A 83 9.882 -8.042 -1.820 1.00 0.00 C ATOM 1215 C SER A 83 8.498 -8.459 -2.321 1.00 0.00 C ATOM 1216 O SER A 83 8.282 -9.620 -2.665 1.00 0.00 O ATOM 1217 CB SER A 83 10.629 -9.252 -1.256 1.00 0.00 C ATOM 1218 OG SER A 83 11.077 -10.131 -2.285 1.00 0.00 O ATOM 0 H SER A 83 9.312 -7.287 0.049 1.00 0.00 H new ATOM 0 HA SER A 83 10.461 -7.649 -2.656 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.484 -8.910 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.975 -9.796 -0.574 1.00 0.00 H new ATOM 0 HG SER A 83 10.331 -10.340 -2.885 1.00 0.00 H new ATOM 1224 N ALA A 84 7.596 -7.489 -2.347 1.00 0.00 N ATOM 1225 CA ALA A 84 6.239 -7.741 -2.800 1.00 0.00 C ATOM 1226 C ALA A 84 6.098 -7.283 -4.253 1.00 0.00 C ATOM 1227 O ALA A 84 6.370 -6.127 -4.573 1.00 0.00 O ATOM 1228 CB ALA A 84 5.250 -7.036 -1.869 1.00 0.00 C ATOM 0 H ALA A 84 7.779 -6.527 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 84 6.015 -8.807 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.232 -7.225 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.370 -7.417 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.442 -5.963 -1.879 1.00 0.00 H new ATOM 1234 N ARG A 85 5.672 -8.214 -5.095 1.00 0.00 N ATOM 1235 CA ARG A 85 5.492 -7.920 -6.506 1.00 0.00 C ATOM 1236 C ARG A 85 4.007 -7.734 -6.824 1.00 0.00 C ATOM 1237 O ARG A 85 3.655 -7.029 -7.769 1.00 0.00 O ATOM 1238 CB ARG A 85 6.056 -9.044 -7.379 1.00 0.00 C ATOM 1239 CG ARG A 85 6.218 -8.583 -8.829 1.00 0.00 C ATOM 1240 CD ARG A 85 7.666 -8.743 -9.296 1.00 0.00 C ATOM 1241 NE ARG A 85 7.712 -9.552 -10.534 1.00 0.00 N ATOM 1242 CZ ARG A 85 7.530 -10.879 -10.571 1.00 0.00 C ATOM 1243 NH1 ARG A 85 7.289 -11.554 -9.439 1.00 0.00 N ATOM 1244 NH2 ARG A 85 7.589 -11.531 -11.740 1.00 0.00 N ATOM 0 H ARG A 85 5.447 -9.172 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 85 6.032 -6.999 -6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.020 -9.366 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.392 -9.908 -7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.558 -9.162 -9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.916 -7.539 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.109 -7.763 -9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.257 -9.223 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 85 7.894 -9.069 -11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.244 -11.058 -8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.150 -12.564 -9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.772 -11.017 -12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.450 -12.541 -11.768 1.00 0.00 H new ATOM 1258 N GLN A 86 3.177 -8.378 -6.017 1.00 0.00 N ATOM 1259 CA GLN A 86 1.738 -8.292 -6.201 1.00 0.00 C ATOM 1260 C GLN A 86 1.028 -8.307 -4.845 1.00 0.00 C ATOM 1261 O GLN A 86 1.611 -8.708 -3.840 1.00 0.00 O ATOM 1262 CB GLN A 86 1.231 -9.422 -7.098 1.00 0.00 C ATOM 1263 CG GLN A 86 1.213 -10.754 -6.344 1.00 0.00 C ATOM 1264 CD GLN A 86 1.608 -11.910 -7.265 1.00 0.00 C ATOM 1265 OE1 GLN A 86 2.578 -12.615 -7.038 1.00 0.00 O ATOM 1266 NE2 GLN A 86 0.805 -12.066 -8.314 1.00 0.00 N ATOM 0 H GLN A 86 3.473 -8.961 -5.234 1.00 0.00 H new ATOM 0 HA GLN A 86 1.511 -7.349 -6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.227 -9.187 -7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.869 -9.507 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.899 -10.707 -5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.218 -10.932 -5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 86 0.010 -11.441 -8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 86 0.984 -12.811 -8.987 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.221 -7.865 -4.862 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.016 -7.822 -3.647 1.00 0.00 C ATOM 1277 C TYR A 87 -2.457 -8.260 -3.919 1.00 0.00 C ATOM 1278 O TYR A 87 -2.919 -8.215 -5.058 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.017 -6.361 -3.194 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.105 -6.027 -2.172 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -1.880 -6.248 -0.828 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -3.311 -5.505 -2.593 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -2.904 -5.934 0.135 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -4.335 -5.191 -1.630 1.00 0.00 C ATOM 1285 CZ TYR A 87 -4.081 -5.421 -0.314 1.00 0.00 C ATOM 1286 OH TYR A 87 -5.048 -5.124 0.595 1.00 0.00 O ATOM 0 H TYR A 87 -0.702 -7.534 -5.698 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.602 -8.493 -2.894 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.044 -6.124 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.144 -5.721 -4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.936 -6.656 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.487 -5.332 -3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.741 -6.102 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.283 -4.782 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.833 -4.765 0.132 1.00 0.00 H new ATOM 1296 N THR A 88 -3.126 -8.675 -2.854 1.00 0.00 N ATOM 1297 CA THR A 88 -4.505 -9.121 -2.963 1.00 0.00 C ATOM 1298 C THR A 88 -5.431 -8.190 -2.179 1.00 0.00 C ATOM 1299 O THR A 88 -5.230 -7.970 -0.985 1.00 0.00 O ATOM 1300 CB THR A 88 -4.569 -10.577 -2.496 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.624 -11.249 -3.323 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.904 -11.243 -2.838 1.00 0.00 C ATOM 0 H THR A 88 -2.739 -8.712 -1.911 1.00 0.00 H new ATOM 0 HA THR A 88 -4.853 -9.080 -3.995 1.00 0.00 H new ATOM 0 HB THR A 88 -4.407 -10.620 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.600 -12.200 -3.086 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.897 -12.274 -2.485 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.716 -10.700 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.051 -11.230 -3.918 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.425 -7.667 -2.882 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.382 -6.764 -2.266 1.00 0.00 C ATOM 1312 C ALA A 89 -8.710 -7.496 -2.063 1.00 0.00 C ATOM 1313 O ALA A 89 -9.370 -7.872 -3.031 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.534 -5.512 -3.133 1.00 0.00 C ATOM 0 H ALA A 89 -6.588 -7.851 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.029 -6.442 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.252 -4.834 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.569 -5.012 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.889 -5.796 -4.124 1.00 0.00 H new ATOM 1320 N THR A 90 -9.062 -7.678 -0.799 1.00 0.00 N ATOM 1321 CA THR A 90 -10.299 -8.359 -0.456 1.00 0.00 C ATOM 1322 C THR A 90 -11.270 -7.391 0.224 1.00 0.00 C ATOM 1323 O THR A 90 -10.847 -6.425 0.857 1.00 0.00 O ATOM 1324 CB THR A 90 -9.948 -9.573 0.405 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.172 -9.030 1.471 1.00 0.00 O ATOM 1326 CG2 THR A 90 -8.989 -10.534 -0.301 1.00 0.00 C ATOM 0 H THR A 90 -8.512 -7.365 0.001 1.00 0.00 H new ATOM 0 HA THR A 90 -10.815 -8.714 -1.348 1.00 0.00 H new ATOM 0 HB THR A 90 -10.861 -10.104 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.903 -9.750 2.079 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.772 -11.378 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.449 -10.896 -1.221 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.062 -10.013 -0.540 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.552 -7.685 0.071 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.586 -6.853 0.663 1.00 0.00 C ATOM 1336 C GLY A 91 -13.755 -5.549 -0.119 1.00 0.00 C ATOM 1337 O GLY A 91 -13.610 -4.463 0.440 1.00 0.00 O ATOM 0 H GLY A 91 -12.899 -8.488 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.531 -7.397 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.329 -6.630 1.699 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.058 -5.698 -1.400 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.248 -4.546 -2.264 1.00 0.00 C ATOM 1343 C LEU A 92 -15.677 -4.553 -2.810 1.00 0.00 C ATOM 1344 O LEU A 92 -16.296 -5.609 -2.925 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.174 -4.510 -3.353 1.00 0.00 C ATOM 1346 CG LEU A 92 -11.765 -4.922 -2.920 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -10.978 -5.503 -4.096 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.030 -3.754 -2.259 1.00 0.00 C ATOM 0 H LEU A 92 -14.177 -6.600 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.127 -3.622 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.488 -5.163 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.127 -3.498 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.855 -5.710 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.981 -5.788 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.496 -6.381 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.896 -4.755 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.032 -4.074 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.950 -2.928 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.584 -3.427 -1.379 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.159 -3.361 -3.132 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.504 -3.217 -3.663 1.00 0.00 C ATOM 1362 C LYS A 93 -17.484 -3.483 -5.170 1.00 0.00 C ATOM 1363 O LYS A 93 -16.727 -2.851 -5.905 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.085 -1.852 -3.288 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.390 -1.586 -4.040 1.00 0.00 C ATOM 1366 CD LYS A 93 -19.374 -0.203 -4.694 1.00 0.00 C ATOM 1367 CE LYS A 93 -19.399 0.903 -3.637 1.00 0.00 C ATOM 1368 NZ LYS A 93 -19.582 2.226 -4.275 1.00 0.00 N ATOM 0 H LYS A 93 -15.642 -2.487 -3.035 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.170 -3.955 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.266 -1.812 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.362 -1.069 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.537 -2.351 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.232 -1.657 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -18.483 -0.100 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.235 -0.099 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -20.207 0.719 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.469 0.892 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.004 2.934 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.287 2.175 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -20.584 2.500 -4.224 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.346 -4.445 -5.595 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.435 -4.803 -7.000 1.00 0.00 C ATOM 1384 C PRO A 94 -19.185 -3.730 -7.793 1.00 0.00 C ATOM 1385 O PRO A 94 -19.902 -2.914 -7.216 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.132 -6.153 -7.020 1.00 0.00 C ATOM 1387 CG PRO A 94 -19.822 -6.285 -5.671 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.257 -5.214 -4.752 1.00 0.00 C ATOM 0 HA PRO A 94 -17.458 -4.868 -7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.854 -6.208 -7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.416 -6.960 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -20.900 -6.165 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.653 -7.277 -5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.048 -4.583 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.734 -5.656 -3.904 1.00 0.00 H new ATOM 1396 N GLU A 95 -18.994 -3.767 -9.104 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.644 -2.808 -9.981 1.00 0.00 C ATOM 1398 C GLU A 95 -19.175 -1.388 -9.657 1.00 0.00 C ATOM 1399 O GLU A 95 -19.965 -0.447 -9.692 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.166 -2.919 -9.883 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.655 -4.265 -10.422 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.814 -4.075 -11.403 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.951 -3.909 -10.912 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -22.536 -4.099 -12.621 1.00 0.00 O ATOM 0 H GLU A 95 -18.399 -4.445 -9.579 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.362 -3.036 -11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.476 -2.805 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.630 -2.108 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.834 -4.781 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.975 -4.898 -9.594 1.00 0.00 H new ATOM 1411 N SER A 96 -17.891 -1.279 -9.348 1.00 0.00 N ATOM 1412 CA SER A 96 -17.307 0.009 -9.018 1.00 0.00 C ATOM 1413 C SER A 96 -15.862 0.073 -9.515 1.00 0.00 C ATOM 1414 O SER A 96 -15.384 -0.856 -10.165 1.00 0.00 O ATOM 1415 CB SER A 96 -17.362 0.269 -7.511 1.00 0.00 C ATOM 1416 OG SER A 96 -18.363 1.224 -7.169 1.00 0.00 O ATOM 0 H SER A 96 -17.239 -2.063 -9.319 1.00 0.00 H new ATOM 0 HA SER A 96 -17.889 0.785 -9.515 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.561 -0.667 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.390 0.625 -7.169 1.00 0.00 H new ATOM 0 HG SER A 96 -19.250 0.832 -7.308 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.206 1.177 -9.191 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.824 1.373 -9.597 1.00 0.00 C ATOM 1424 C VAL A 97 -12.973 1.678 -8.362 1.00 0.00 C ATOM 1425 O VAL A 97 -13.314 2.555 -7.570 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.743 2.467 -10.663 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.361 2.491 -11.319 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -14.844 2.294 -11.711 1.00 0.00 C ATOM 0 H VAL A 97 -15.605 1.945 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.426 0.465 -10.050 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.897 3.427 -10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.330 3.277 -12.073 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.602 2.684 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.165 1.528 -11.791 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.764 3.085 -12.457 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.735 1.324 -12.197 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -15.819 2.350 -11.227 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.882 0.936 -8.238 1.00 0.00 N ATOM 1439 CA TYR A 98 -10.980 1.115 -7.113 1.00 0.00 C ATOM 1440 C TYR A 98 -9.616 1.628 -7.581 1.00 0.00 C ATOM 1441 O TYR A 98 -9.006 1.049 -8.478 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.803 -0.270 -6.489 1.00 0.00 C ATOM 1443 CG TYR A 98 -11.839 -0.605 -5.414 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.170 -0.733 -5.754 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.442 -0.778 -4.103 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.145 -1.048 -4.742 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.417 -1.093 -3.091 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.720 -1.212 -3.461 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.641 -1.510 -2.505 1.00 0.00 O ATOM 0 H TYR A 98 -11.603 0.210 -8.898 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.385 1.842 -6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.856 -1.022 -7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.807 -0.336 -6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.481 -0.597 -6.779 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.400 -0.677 -3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.190 -1.152 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.120 -1.232 -2.062 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.432 -1.016 -1.685 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.179 2.709 -6.952 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.899 3.307 -7.293 1.00 0.00 C ATOM 1461 C LEU A 99 -6.803 2.682 -6.427 1.00 0.00 C ATOM 1462 O LEU A 99 -6.754 2.911 -5.220 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.973 4.831 -7.185 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.644 5.578 -7.313 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -6.035 5.854 -5.936 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.677 4.824 -8.227 1.00 0.00 C ATOM 0 H LEU A 99 -9.688 3.186 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.645 3.097 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.649 5.198 -7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.419 5.086 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.839 6.544 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.091 6.386 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.723 6.463 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.857 4.910 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.740 5.377 -8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.483 3.834 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.118 4.723 -9.219 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.950 1.904 -7.078 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.858 1.244 -6.383 1.00 0.00 C ATOM 1480 C PHE A 100 -3.579 2.081 -6.453 1.00 0.00 C ATOM 1481 O PHE A 100 -3.004 2.253 -7.527 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.619 -0.091 -7.090 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.468 -1.243 -6.548 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.803 -1.283 -6.803 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.886 -2.227 -5.810 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.590 -2.352 -6.299 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.673 -3.296 -5.306 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.008 -3.336 -5.561 1.00 0.00 C ATOM 0 H PHE A 100 -5.993 1.716 -8.080 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.114 1.107 -5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.826 0.030 -8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.565 -0.355 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.265 -0.502 -7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.826 -2.195 -5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.650 -2.384 -6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.211 -4.077 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.607 -4.149 -5.178 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.171 2.579 -5.295 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.970 3.393 -5.212 1.00 0.00 C ATOM 1500 C ARG A 101 -0.820 2.582 -4.612 1.00 0.00 C ATOM 1501 O ARG A 101 -0.859 2.218 -3.437 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.208 4.638 -4.356 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.402 5.827 -4.882 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.172 7.137 -4.699 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.382 7.403 -3.258 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.516 7.128 -2.600 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -4.550 6.576 -3.250 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -3.616 7.404 -1.293 1.00 0.00 N ATOM 0 H ARG A 101 -3.651 2.435 -4.406 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.710 3.705 -6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.270 4.886 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.928 4.432 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.449 5.885 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.176 5.679 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.619 7.960 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.133 7.078 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.615 7.822 -2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.473 6.366 -4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.414 6.366 -2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.829 7.824 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.480 7.195 -0.792 1.00 0.00 H new ATOM 1522 N ILE A 102 0.177 2.323 -5.445 1.00 0.00 N ATOM 1523 CA ILE A 102 1.336 1.562 -5.012 1.00 0.00 C ATOM 1524 C ILE A 102 2.477 2.525 -4.676 1.00 0.00 C ATOM 1525 O ILE A 102 2.702 3.500 -5.392 1.00 0.00 O ATOM 1526 CB ILE A 102 1.708 0.510 -6.058 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.653 -0.596 -6.122 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.109 -0.049 -5.800 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.645 -1.268 -7.497 1.00 0.00 C ATOM 0 H ILE A 102 0.206 2.627 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 102 1.108 1.007 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 102 1.729 0.993 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.854 -1.340 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.331 -0.177 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.348 -0.795 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.838 0.760 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.140 -0.511 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.114 -2.050 -7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.420 -0.526 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.623 -1.707 -7.693 1.00 0.00 H new ATOM 1541 N THR A 103 3.166 2.219 -3.587 1.00 0.00 N ATOM 1542 CA THR A 103 4.278 3.045 -3.148 1.00 0.00 C ATOM 1543 C THR A 103 5.338 2.188 -2.454 1.00 0.00 C ATOM 1544 O THR A 103 5.051 1.077 -2.012 1.00 0.00 O ATOM 1545 CB THR A 103 3.718 4.157 -2.259 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.486 4.512 -2.881 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.552 5.438 -2.327 1.00 0.00 C ATOM 0 H THR A 103 2.976 1.410 -2.995 1.00 0.00 H new ATOM 0 HA THR A 103 4.784 3.509 -3.994 1.00 0.00 H new ATOM 0 HB THR A 103 3.673 3.808 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.055 5.227 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.111 6.194 -1.678 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.570 5.227 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.570 5.806 -3.353 1.00 0.00 H new ATOM 1555 N ALA A 104 6.542 2.737 -2.380 1.00 0.00 N ATOM 1556 CA ALA A 104 7.646 2.037 -1.748 1.00 0.00 C ATOM 1557 C ALA A 104 8.090 2.810 -0.504 1.00 0.00 C ATOM 1558 O ALA A 104 7.931 4.028 -0.437 1.00 0.00 O ATOM 1559 CB ALA A 104 8.781 1.855 -2.757 1.00 0.00 C ATOM 0 H ALA A 104 6.776 3.659 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 104 7.335 1.043 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.609 1.330 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.423 1.274 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.121 2.831 -3.102 1.00 0.00 H new ATOM 1565 N GLN A 105 8.638 2.071 0.449 1.00 0.00 N ATOM 1566 CA GLN A 105 9.106 2.673 1.686 1.00 0.00 C ATOM 1567 C GLN A 105 10.627 2.548 1.795 1.00 0.00 C ATOM 1568 O GLN A 105 11.169 1.446 1.728 1.00 0.00 O ATOM 1569 CB GLN A 105 8.416 2.042 2.898 1.00 0.00 C ATOM 1570 CG GLN A 105 9.015 2.567 4.204 1.00 0.00 C ATOM 1571 CD GLN A 105 7.916 2.993 5.179 1.00 0.00 C ATOM 1572 OE1 GLN A 105 7.641 4.166 5.371 1.00 0.00 O ATOM 1573 NE2 GLN A 105 7.304 1.978 5.782 1.00 0.00 N ATOM 0 H GLN A 105 8.768 1.061 0.390 1.00 0.00 H new ATOM 0 HA GLN A 105 8.848 3.732 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.349 2.262 2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.519 0.958 2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 105 9.632 1.794 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 105 9.668 3.414 3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.583 1.019 5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.555 2.159 6.451 1.00 0.00 H new ATOM 1582 N THR A 106 11.272 3.693 1.961 1.00 0.00 N ATOM 1583 CA THR A 106 12.720 3.726 2.080 1.00 0.00 C ATOM 1584 C THR A 106 13.133 4.415 3.382 1.00 0.00 C ATOM 1585 O THR A 106 12.299 4.651 4.255 1.00 0.00 O ATOM 1586 CB THR A 106 13.282 4.405 0.829 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.349 5.446 0.551 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.214 3.504 -0.406 1.00 0.00 C ATOM 0 H THR A 106 10.819 4.605 2.016 1.00 0.00 H new ATOM 0 HA THR A 106 13.135 2.720 2.136 1.00 0.00 H new ATOM 0 HB THR A 106 14.316 4.698 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 106 12.763 6.315 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.625 4.033 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.792 2.598 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.176 3.238 -0.606 1.00 0.00 H new ATOM 1596 N ARG A 107 14.419 4.718 3.472 1.00 0.00 N ATOM 1597 CA ARG A 107 14.953 5.374 4.653 1.00 0.00 C ATOM 1598 C ARG A 107 14.640 6.872 4.615 1.00 0.00 C ATOM 1599 O ARG A 107 15.034 7.615 5.512 1.00 0.00 O ATOM 1600 CB ARG A 107 16.467 5.180 4.755 1.00 0.00 C ATOM 1601 CG ARG A 107 17.195 5.960 3.658 1.00 0.00 C ATOM 1602 CD ARG A 107 18.692 5.642 3.661 1.00 0.00 C ATOM 1603 NE ARG A 107 19.417 6.629 4.494 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.724 6.555 4.778 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.458 5.542 4.298 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.298 7.495 5.541 1.00 0.00 N ATOM 0 H ARG A 107 15.108 4.521 2.746 1.00 0.00 H new ATOM 0 HA ARG A 107 14.481 4.922 5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.815 5.511 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.708 4.120 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.769 5.712 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.046 7.029 3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.858 4.636 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.078 5.660 2.642 1.00 0.00 H new ATOM 0 HE ARG A 107 18.888 7.414 4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.022 4.827 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.453 5.486 4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.740 8.267 5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.293 7.439 5.757 1.00 0.00 H new ATOM 1620 N LYS A 108 13.934 7.269 3.567 1.00 0.00 N ATOM 1621 CA LYS A 108 13.563 8.664 3.400 1.00 0.00 C ATOM 1622 C LYS A 108 12.061 8.821 3.646 1.00 0.00 C ATOM 1623 O LYS A 108 11.612 9.863 4.120 1.00 0.00 O ATOM 1624 CB LYS A 108 14.020 9.181 2.034 1.00 0.00 C ATOM 1625 CG LYS A 108 15.417 8.659 1.690 1.00 0.00 C ATOM 1626 CD LYS A 108 16.473 9.268 2.615 1.00 0.00 C ATOM 1627 CE LYS A 108 16.721 10.738 2.272 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.022 11.512 3.496 1.00 0.00 N ATOM 0 H LYS A 108 13.609 6.649 2.825 1.00 0.00 H new ATOM 0 HA LYS A 108 14.074 9.284 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.312 8.868 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.026 10.271 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.435 7.573 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.654 8.899 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.146 9.183 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.404 8.708 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 108 17.551 10.819 1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.844 11.155 1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.188 12.508 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.218 11.450 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.872 11.124 3.952 1.00 0.00 H new ATOM 1642 N GLY A 109 11.326 7.771 3.311 1.00 0.00 N ATOM 1643 CA GLY A 109 9.884 7.779 3.490 1.00 0.00 C ATOM 1644 C GLY A 109 9.184 7.065 2.332 1.00 0.00 C ATOM 1645 O GLY A 109 9.610 5.990 1.913 1.00 0.00 O ATOM 0 H GLY A 109 11.702 6.909 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.628 7.291 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.528 8.807 3.557 1.00 0.00 H new ATOM 1649 N TRP A 110 8.122 7.692 1.848 1.00 0.00 N ATOM 1650 CA TRP A 110 7.359 7.130 0.746 1.00 0.00 C ATOM 1651 C TRP A 110 7.514 8.060 -0.459 1.00 0.00 C ATOM 1652 O TRP A 110 7.032 9.191 -0.441 1.00 0.00 O ATOM 1653 CB TRP A 110 5.899 6.909 1.147 1.00 0.00 C ATOM 1654 CG TRP A 110 5.707 5.859 2.244 1.00 0.00 C ATOM 1655 CD1 TRP A 110 5.732 6.039 3.571 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.459 4.451 2.051 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.518 4.854 4.246 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.347 3.858 3.292 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.332 3.702 0.868 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.103 2.490 3.470 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.089 2.337 1.062 1.00 0.00 C ATOM 1662 CH2 TRP A 110 4.974 1.725 2.305 1.00 0.00 C ATOM 0 H TRP A 110 7.772 8.584 2.199 1.00 0.00 H new ATOM 0 HA TRP A 110 7.739 6.145 0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.479 7.856 1.487 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.333 6.607 0.266 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.899 6.991 4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.490 4.732 5.258 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.415 4.145 -0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.019 2.050 4.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.983 1.716 0.185 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.786 0.664 2.371 1.00 0.00 H new ATOM 1673 N GLY A 111 8.189 7.548 -1.478 1.00 0.00 N ATOM 1674 CA GLY A 111 8.413 8.318 -2.690 1.00 0.00 C ATOM 1675 C GLY A 111 7.161 8.332 -3.570 1.00 0.00 C ATOM 1676 O GLY A 111 6.045 8.204 -3.070 1.00 0.00 O ATOM 0 H GLY A 111 8.588 6.609 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.691 9.340 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.248 7.892 -3.246 1.00 0.00 H new ATOM 1680 N GLU A 112 7.390 8.489 -4.865 1.00 0.00 N ATOM 1681 CA GLU A 112 6.295 8.522 -5.820 1.00 0.00 C ATOM 1682 C GLU A 112 5.333 7.360 -5.564 1.00 0.00 C ATOM 1683 O GLU A 112 5.657 6.432 -4.824 1.00 0.00 O ATOM 1684 CB GLU A 112 6.819 8.493 -7.257 1.00 0.00 C ATOM 1685 CG GLU A 112 6.466 9.786 -7.995 1.00 0.00 C ATOM 1686 CD GLU A 112 7.689 10.697 -8.122 1.00 0.00 C ATOM 1687 OE1 GLU A 112 8.140 11.191 -7.066 1.00 0.00 O ATOM 1688 OE2 GLU A 112 8.146 10.877 -9.271 1.00 0.00 O ATOM 0 H GLU A 112 8.318 8.595 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 112 5.750 9.456 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.900 8.357 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.394 7.640 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.080 9.549 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.673 10.309 -7.461 1.00 0.00 H new ATOM 1695 N ALA A 113 4.169 7.448 -6.191 1.00 0.00 N ATOM 1696 CA ALA A 113 3.158 6.416 -6.040 1.00 0.00 C ATOM 1697 C ALA A 113 2.484 6.167 -7.391 1.00 0.00 C ATOM 1698 O ALA A 113 2.134 7.111 -8.097 1.00 0.00 O ATOM 1699 CB ALA A 113 2.159 6.832 -4.958 1.00 0.00 C ATOM 0 H ALA A 113 3.904 8.218 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 113 3.612 5.478 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.401 6.057 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.683 6.967 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.681 7.768 -5.245 1.00 0.00 H new ATOM 1705 N ALA A 114 2.322 4.891 -7.710 1.00 0.00 N ATOM 1706 CA ALA A 114 1.696 4.506 -8.963 1.00 0.00 C ATOM 1707 C ALA A 114 0.205 4.259 -8.729 1.00 0.00 C ATOM 1708 O ALA A 114 -0.168 3.381 -7.953 1.00 0.00 O ATOM 1709 CB ALA A 114 2.408 3.278 -9.534 1.00 0.00 C ATOM 0 H ALA A 114 2.614 4.110 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 114 1.786 5.306 -9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.938 2.989 -10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.457 3.515 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.337 2.453 -8.825 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.608 5.049 -9.415 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.051 4.927 -9.291 1.00 0.00 C ATOM 1717 C GLU A 115 -2.613 4.086 -10.439 1.00 0.00 C ATOM 1718 O GLU A 115 -2.366 4.380 -11.607 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.716 6.304 -9.244 1.00 0.00 C ATOM 1720 CG GLU A 115 -3.104 6.677 -7.812 1.00 0.00 C ATOM 1721 CD GLU A 115 -4.216 7.728 -7.801 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.993 7.743 -8.780 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -4.263 8.494 -6.814 1.00 0.00 O ATOM 0 H GLU A 115 -0.295 5.776 -10.058 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.274 4.420 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.036 7.054 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.603 6.305 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.435 5.787 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.231 7.060 -7.283 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.358 3.056 -10.065 1.00 0.00 N ATOM 1731 CA ALA A 116 -3.957 2.170 -11.049 1.00 0.00 C ATOM 1732 C ALA A 116 -5.412 1.896 -10.664 1.00 0.00 C ATOM 1733 O ALA A 116 -5.695 1.505 -9.533 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.130 0.887 -11.151 1.00 0.00 C ATOM 0 H ALA A 116 -3.560 2.815 -9.095 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.959 2.636 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.579 0.222 -11.889 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.113 1.133 -11.456 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.108 0.390 -10.181 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.296 2.113 -11.627 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.715 1.895 -11.403 1.00 0.00 C ATOM 1742 C LEU A 117 -8.087 0.481 -11.853 1.00 0.00 C ATOM 1743 O LEU A 117 -7.583 -0.005 -12.864 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.539 2.992 -12.079 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.573 4.344 -11.363 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.385 5.495 -12.354 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.856 4.498 -10.544 1.00 0.00 C ATOM 0 H LEU A 117 -6.057 2.437 -12.564 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.947 1.963 -10.340 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.147 3.146 -13.084 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.563 2.635 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.737 4.381 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.413 6.444 -11.819 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.423 5.390 -12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.185 5.472 -13.094 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.855 5.467 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.720 4.431 -11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.908 3.706 -9.797 1.00 0.00 H new ATOM 1759 N VAL A 118 -8.965 -0.140 -11.079 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.410 -1.489 -11.385 1.00 0.00 C ATOM 1761 C VAL A 118 -10.869 -1.650 -10.955 1.00 0.00 C ATOM 1762 O VAL A 118 -11.198 -1.471 -9.784 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.477 -2.509 -10.730 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.462 -2.340 -9.209 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -8.866 -3.937 -11.119 1.00 0.00 C ATOM 0 H VAL A 118 -9.380 0.266 -10.241 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.366 -1.671 -12.459 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.468 -2.325 -11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.791 -3.077 -8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.116 -1.338 -8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.469 -2.485 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.187 -4.642 -10.640 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.887 -4.138 -10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.802 -4.050 -12.201 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.705 -1.987 -11.926 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.122 -2.174 -11.663 1.00 0.00 C ATOM 1777 C VAL A 119 -13.354 -3.589 -11.128 1.00 0.00 C ATOM 1778 O VAL A 119 -12.649 -4.523 -11.507 1.00 0.00 O ATOM 1779 CB VAL A 119 -13.934 -1.871 -12.924 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.277 -2.602 -12.900 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.132 -0.364 -13.099 1.00 0.00 C ATOM 0 H VAL A 119 -11.428 -2.135 -12.896 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.464 -1.476 -10.898 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.370 -2.236 -13.782 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.834 -2.369 -13.808 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.105 -3.677 -12.845 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.850 -2.281 -12.030 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.712 -0.176 -14.002 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.665 0.036 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.161 0.123 -13.183 1.00 0.00 H new ATOM 1791 N THR A 120 -14.345 -3.702 -10.255 1.00 0.00 N ATOM 1792 CA THR A 120 -14.678 -4.987 -9.665 1.00 0.00 C ATOM 1793 C THR A 120 -15.864 -5.619 -10.397 1.00 0.00 C ATOM 1794 O THR A 120 -16.966 -5.072 -10.390 1.00 0.00 O ATOM 1795 CB THR A 120 -14.932 -4.769 -8.172 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.822 -3.657 -8.129 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.687 -4.279 -7.431 1.00 0.00 C ATOM 0 H THR A 120 -14.927 -2.925 -9.943 1.00 0.00 H new ATOM 0 HA THR A 120 -13.857 -5.696 -9.770 1.00 0.00 H new ATOM 0 HB THR A 120 -15.278 -5.701 -7.724 1.00 0.00 H new ATOM 0 HG1 THR A 120 -15.792 -3.248 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 120 -13.923 -4.141 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 120 -12.890 -5.016 -7.531 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.360 -3.331 -7.857 1.00 0.00 H new ATOM 1805 N THR A 121 -15.598 -6.762 -11.012 1.00 0.00 N ATOM 1806 CA THR A 121 -16.629 -7.474 -11.747 1.00 0.00 C ATOM 1807 C THR A 121 -16.073 -8.782 -12.313 1.00 0.00 C ATOM 1808 O THR A 121 -14.869 -9.026 -12.255 1.00 0.00 O ATOM 1809 CB THR A 121 -17.179 -6.533 -12.821 1.00 0.00 C ATOM 1810 OG1 THR A 121 -17.998 -7.371 -13.631 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.093 -6.036 -13.777 1.00 0.00 C ATOM 0 H THR A 121 -14.683 -7.213 -11.016 1.00 0.00 H new ATOM 0 HA THR A 121 -17.453 -7.763 -11.094 1.00 0.00 H new ATOM 0 HB THR A 121 -17.660 -5.679 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.396 -6.841 -14.352 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.537 -5.372 -14.519 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.333 -5.494 -13.214 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.634 -6.887 -14.280 1.00 0.00 H new