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 Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00498 USER MOD Single : A 43 SER OG : rot 156:sc= -1.55 USER MOD Single : A 49 GLN : amide:sc=-0.00684 X(o=-0.0068,f=-0.055) USER MOD Single : A 55 ASN : amide:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 64 THR OG1 : rot -3:sc= -1.77! USER MOD Single : A 65 HIS :FLIP no HE2:sc= -2.72 F(o=-5.3!,f=-2.7) USER MOD Single : A 83 SER OG : rot 63:sc= 0.452 USER MOD Single : A 86 GLN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.02 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 9:sc= -0.959 USER MOD Single : A 98 TYR OH : rot 110:sc= 0.921 USER MOD Single : A 103 THR OG1 : rot 170:sc= -1.76 USER MOD Single : A 105 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.4) USER MOD Single : A 106 THR OG1 : rot 110:sc= -1.22 USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0667) USER MOD Single : A 120 THR OG1 : rot 172:sc= 1.03 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 13.989 9.263 -1.798 1.00 0.00 N ATOM 351 CA VAL A 27 12.932 8.278 -1.956 1.00 0.00 C ATOM 352 C VAL A 27 12.931 7.766 -3.398 1.00 0.00 C ATOM 353 O VAL A 27 13.461 8.421 -4.294 1.00 0.00 O ATOM 354 CB VAL A 27 11.590 8.879 -1.534 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.487 8.976 -0.011 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.370 10.245 -2.187 1.00 0.00 C ATOM 0 HA VAL A 27 13.107 7.421 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 27 10.801 8.212 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.523 9.406 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.576 7.980 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.288 9.610 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.409 10.649 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.167 10.925 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.377 10.135 -3.271 1.00 0.00 H new ATOM 366 N PRO A 28 12.314 6.567 -3.581 1.00 0.00 N ATOM 367 CA PRO A 28 12.237 5.959 -4.898 1.00 0.00 C ATOM 368 C PRO A 28 11.197 6.667 -5.769 1.00 0.00 C ATOM 369 O PRO A 28 10.498 7.564 -5.302 1.00 0.00 O ATOM 370 CB PRO A 28 11.901 4.500 -4.638 1.00 0.00 C ATOM 371 CG PRO A 28 11.346 4.445 -3.224 1.00 0.00 C ATOM 372 CD PRO A 28 11.676 5.763 -2.543 1.00 0.00 C ATOM 0 HA PRO A 28 13.169 6.046 -5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.170 4.133 -5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.787 3.872 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.268 4.284 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.783 3.611 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.777 6.248 -2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.341 5.614 -1.693 1.00 0.00 H new ATOM 380 N GLY A 29 11.128 6.235 -7.020 1.00 0.00 N ATOM 381 CA GLY A 29 10.185 6.816 -7.960 1.00 0.00 C ATOM 382 C GLY A 29 8.867 6.040 -7.966 1.00 0.00 C ATOM 383 O GLY A 29 8.627 5.210 -7.090 1.00 0.00 O ATOM 0 H GLY A 29 11.709 5.490 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.997 7.857 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.616 6.814 -8.961 1.00 0.00 H new ATOM 387 N PRO A 30 8.024 6.345 -8.989 1.00 0.00 N ATOM 388 CA PRO A 30 6.736 5.685 -9.119 1.00 0.00 C ATOM 389 C PRO A 30 6.903 4.255 -9.637 1.00 0.00 C ATOM 390 O PRO A 30 7.676 4.012 -10.563 1.00 0.00 O ATOM 391 CB PRO A 30 5.935 6.568 -10.062 1.00 0.00 C ATOM 392 CG PRO A 30 6.953 7.434 -10.787 1.00 0.00 C ATOM 393 CD PRO A 30 8.274 7.322 -10.044 1.00 0.00 C ATOM 0 HA PRO A 30 6.222 5.575 -8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.361 5.967 -10.767 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.222 7.181 -9.511 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.067 7.105 -11.820 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.619 8.471 -10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.074 6.993 -10.707 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.578 8.283 -9.630 1.00 0.00 H new ATOM 401 N PRO A 31 6.146 3.321 -9.001 1.00 0.00 N ATOM 402 CA PRO A 31 6.202 1.922 -9.388 1.00 0.00 C ATOM 403 C PRO A 31 5.453 1.685 -10.701 1.00 0.00 C ATOM 404 O PRO A 31 4.224 1.722 -10.734 1.00 0.00 O ATOM 405 CB PRO A 31 5.600 1.165 -8.216 1.00 0.00 C ATOM 406 CG PRO A 31 4.808 2.190 -7.420 1.00 0.00 C ATOM 407 CD PRO A 31 5.219 3.572 -7.901 1.00 0.00 C ATOM 0 HA PRO A 31 7.218 1.581 -9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.956 0.357 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.379 0.711 -7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.738 2.039 -7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.007 2.082 -6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.356 4.148 -8.234 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.695 4.143 -7.104 1.00 0.00 H new ATOM 415 N MET A 32 6.225 1.447 -11.751 1.00 0.00 N ATOM 416 CA MET A 32 5.650 1.204 -13.063 1.00 0.00 C ATOM 417 C MET A 32 5.378 -0.286 -13.275 1.00 0.00 C ATOM 418 O MET A 32 5.910 -1.127 -12.552 1.00 0.00 O ATOM 419 CB MET A 32 6.610 1.707 -14.143 1.00 0.00 C ATOM 420 CG MET A 32 7.987 1.056 -13.999 1.00 0.00 C ATOM 421 SD MET A 32 8.869 1.144 -15.548 1.00 0.00 S ATOM 422 CE MET A 32 10.524 0.782 -14.983 1.00 0.00 C ATOM 0 H MET A 32 7.244 1.417 -11.720 1.00 0.00 H new ATOM 0 HA MET A 32 4.703 1.740 -13.129 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.201 1.487 -15.129 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.707 2.790 -14.073 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.556 1.559 -13.218 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.876 0.016 -13.693 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.209 0.796 -15.831 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.832 1.532 -14.255 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.542 -0.204 -14.518 1.00 0.00 H new ATOM 432 N GLY A 33 4.550 -0.568 -14.271 1.00 0.00 N ATOM 433 CA GLY A 33 4.202 -1.943 -14.588 1.00 0.00 C ATOM 434 C GLY A 33 2.999 -2.407 -13.764 1.00 0.00 C ATOM 435 O GLY A 33 3.005 -3.508 -13.216 1.00 0.00 O ATOM 0 H GLY A 33 4.110 0.132 -14.869 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.975 -2.029 -15.651 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.055 -2.593 -14.391 1.00 0.00 H new ATOM 439 N ILE A 34 1.996 -1.544 -13.702 1.00 0.00 N ATOM 440 CA ILE A 34 0.788 -1.851 -12.955 1.00 0.00 C ATOM 441 C ILE A 34 -0.236 -2.496 -13.891 1.00 0.00 C ATOM 442 O ILE A 34 -0.687 -1.870 -14.848 1.00 0.00 O ATOM 443 CB ILE A 34 0.268 -0.603 -12.240 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.423 0.233 -11.685 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.744 -0.974 -11.154 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.324 -0.609 -10.780 1.00 0.00 C ATOM 0 H ILE A 34 1.995 -0.631 -14.157 1.00 0.00 H new ATOM 0 HA ILE A 34 1.001 -2.575 -12.168 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.255 0.015 -12.970 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.009 0.642 -12.508 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.027 1.079 -11.124 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.098 -0.068 -10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.588 -1.495 -11.606 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.268 -1.624 -10.420 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.137 0.009 -10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.741 -0.997 -9.945 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.738 -1.441 -11.350 1.00 0.00 H new ATOM 458 N LEU A 35 -0.573 -3.739 -13.582 1.00 0.00 N ATOM 459 CA LEU A 35 -1.535 -4.476 -14.383 1.00 0.00 C ATOM 460 C LEU A 35 -2.410 -5.331 -13.465 1.00 0.00 C ATOM 461 O LEU A 35 -1.996 -5.687 -12.363 1.00 0.00 O ATOM 462 CB LEU A 35 -0.822 -5.277 -15.474 1.00 0.00 C ATOM 463 CG LEU A 35 -0.127 -4.457 -16.564 1.00 0.00 C ATOM 464 CD1 LEU A 35 0.639 -5.364 -17.528 1.00 0.00 C ATOM 465 CD2 LEU A 35 -1.127 -3.558 -17.294 1.00 0.00 C ATOM 0 H LEU A 35 -0.196 -4.255 -12.787 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.199 -3.789 -14.907 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.078 -5.917 -14.999 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.551 -5.933 -15.950 1.00 0.00 H new ATOM 0 HG LEU A 35 0.604 -3.805 -16.087 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.123 -4.756 -18.292 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.395 -5.924 -16.977 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.054 -6.059 -18.002 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.608 -2.986 -18.063 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.898 -4.173 -17.757 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.588 -2.873 -16.582 1.00 0.00 H new ATOM 477 N PHE A 36 -3.604 -5.635 -13.952 1.00 0.00 N ATOM 478 CA PHE A 36 -4.540 -6.442 -13.188 1.00 0.00 C ATOM 479 C PHE A 36 -4.863 -7.747 -13.919 1.00 0.00 C ATOM 480 O PHE A 36 -5.764 -7.787 -14.755 1.00 0.00 O ATOM 481 CB PHE A 36 -5.823 -5.621 -13.044 1.00 0.00 C ATOM 482 CG PHE A 36 -5.692 -4.421 -12.104 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.300 -3.214 -12.592 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.968 -4.562 -10.779 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.178 -2.100 -11.720 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.846 -3.448 -9.907 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.454 -2.241 -10.395 1.00 0.00 C ATOM 0 H PHE A 36 -3.945 -5.337 -14.866 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.108 -6.697 -12.220 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.128 -5.267 -14.029 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.619 -6.270 -12.679 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.081 -3.102 -13.644 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.280 -5.520 -10.391 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.866 -1.142 -12.108 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.065 -3.560 -8.855 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.362 -1.394 -9.731 1.00 0.00 H new ATOM 497 N PRO A 37 -4.090 -8.808 -13.568 1.00 0.00 N ATOM 498 CA PRO A 37 -4.284 -10.111 -14.181 1.00 0.00 C ATOM 499 C PRO A 37 -5.536 -10.796 -13.628 1.00 0.00 C ATOM 500 O PRO A 37 -6.365 -11.291 -14.390 1.00 0.00 O ATOM 501 CB PRO A 37 -3.007 -10.880 -13.885 1.00 0.00 C ATOM 502 CG PRO A 37 -2.341 -10.152 -12.729 1.00 0.00 C ATOM 503 CD PRO A 37 -3.013 -8.797 -12.582 1.00 0.00 C ATOM 0 HA PRO A 37 -4.455 -10.049 -15.256 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.226 -11.914 -13.621 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.355 -10.905 -14.758 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.438 -10.728 -11.809 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.274 -10.031 -12.918 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.401 -8.655 -11.573 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.311 -7.985 -12.771 1.00 0.00 H new ATOM 511 N GLU A 38 -5.633 -10.803 -12.307 1.00 0.00 N ATOM 512 CA GLU A 38 -6.769 -11.419 -11.643 1.00 0.00 C ATOM 513 C GLU A 38 -7.520 -10.382 -10.805 1.00 0.00 C ATOM 514 O GLU A 38 -7.018 -9.927 -9.779 1.00 0.00 O ATOM 515 CB GLU A 38 -6.326 -12.603 -10.782 1.00 0.00 C ATOM 516 CG GLU A 38 -7.516 -13.222 -10.046 1.00 0.00 C ATOM 517 CD GLU A 38 -7.052 -14.297 -9.061 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.105 -15.028 -9.424 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.656 -14.365 -7.969 1.00 0.00 O ATOM 0 H GLU A 38 -4.943 -10.392 -11.678 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.447 -11.801 -12.406 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.851 -13.356 -11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.579 -12.273 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.062 -12.445 -9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.207 -13.658 -10.767 1.00 0.00 H new ATOM 526 N VAL A 39 -8.711 -10.039 -11.273 1.00 0.00 N ATOM 527 CA VAL A 39 -9.536 -9.065 -10.580 1.00 0.00 C ATOM 528 C VAL A 39 -10.992 -9.535 -10.591 1.00 0.00 C ATOM 529 O VAL A 39 -11.617 -9.605 -11.648 1.00 0.00 O ATOM 530 CB VAL A 39 -9.350 -7.681 -11.206 1.00 0.00 C ATOM 531 CG1 VAL A 39 -8.891 -7.795 -12.661 1.00 0.00 C ATOM 532 CG2 VAL A 39 -10.633 -6.854 -11.099 1.00 0.00 C ATOM 0 H VAL A 39 -9.124 -10.419 -12.125 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.230 -8.979 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.570 -7.163 -10.648 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.766 -6.798 -13.082 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.941 -8.328 -12.702 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.638 -8.341 -13.237 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.474 -5.875 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.441 -7.367 -11.620 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.899 -6.730 -10.049 1.00 0.00 H new ATOM 542 N ARG A 40 -11.489 -9.846 -9.403 1.00 0.00 N ATOM 543 CA ARG A 40 -12.860 -10.307 -9.263 1.00 0.00 C ATOM 544 C ARG A 40 -13.747 -9.182 -8.726 1.00 0.00 C ATOM 545 O ARG A 40 -13.373 -8.012 -8.782 1.00 0.00 O ATOM 546 CB ARG A 40 -12.943 -11.508 -8.317 1.00 0.00 C ATOM 547 CG ARG A 40 -11.699 -12.390 -8.441 1.00 0.00 C ATOM 548 CD ARG A 40 -11.894 -13.719 -7.709 1.00 0.00 C ATOM 549 NE ARG A 40 -12.721 -14.632 -8.530 1.00 0.00 N ATOM 550 CZ ARG A 40 -12.238 -15.396 -9.520 1.00 0.00 C ATOM 551 NH1 ARG A 40 -10.932 -15.361 -9.818 1.00 0.00 N ATOM 552 NH2 ARG A 40 -13.062 -16.194 -10.213 1.00 0.00 N ATOM 0 H ARG A 40 -10.967 -9.788 -8.529 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.210 -10.610 -10.250 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.045 -11.160 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.833 -12.094 -8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.486 -12.578 -9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.836 -11.867 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.926 -14.177 -7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.375 -13.546 -6.746 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.720 -14.683 -8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.305 -14.753 -9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.565 -15.943 -10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.056 -16.220 -9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.695 -16.775 -10.966 1.00 0.00 H new ATOM 566 N THR A 41 -14.905 -9.576 -8.218 1.00 0.00 N ATOM 567 CA THR A 41 -15.848 -8.615 -7.672 1.00 0.00 C ATOM 568 C THR A 41 -15.328 -8.049 -6.349 1.00 0.00 C ATOM 569 O THR A 41 -14.685 -7.000 -6.329 1.00 0.00 O ATOM 570 CB THR A 41 -17.207 -9.307 -7.543 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.880 -10.670 -7.289 1.00 0.00 O ATOM 572 CG2 THR A 41 -17.971 -9.348 -8.869 1.00 0.00 C ATOM 0 H THR A 41 -15.212 -10.548 -8.173 1.00 0.00 H new ATOM 0 HA THR A 41 -15.965 -7.757 -8.334 1.00 0.00 H new ATOM 0 HB THR A 41 -17.807 -8.791 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.704 -11.191 -7.190 1.00 0.00 H new ATOM 0 HG21 THR A 41 -18.928 -9.849 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.144 -8.331 -9.221 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.386 -9.893 -9.609 1.00 0.00 H new ATOM 580 N THR A 42 -15.624 -8.769 -5.277 1.00 0.00 N ATOM 581 CA THR A 42 -15.193 -8.352 -3.953 1.00 0.00 C ATOM 582 C THR A 42 -13.792 -8.888 -3.654 1.00 0.00 C ATOM 583 O THR A 42 -13.423 -9.057 -2.493 1.00 0.00 O ATOM 584 CB THR A 42 -16.249 -8.812 -2.946 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.232 -10.233 -3.051 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.668 -8.425 -3.366 1.00 0.00 C ATOM 0 H THR A 42 -16.157 -9.638 -5.298 1.00 0.00 H new ATOM 0 HA THR A 42 -15.111 -7.267 -3.887 1.00 0.00 H new ATOM 0 HB THR A 42 -16.030 -8.381 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.887 -10.615 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.378 -8.775 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.739 -7.341 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.900 -8.883 -4.328 1.00 0.00 H new ATOM 594 N SER A 43 -13.050 -9.143 -4.722 1.00 0.00 N ATOM 595 CA SER A 43 -11.698 -9.657 -4.588 1.00 0.00 C ATOM 596 C SER A 43 -10.929 -9.452 -5.895 1.00 0.00 C ATOM 597 O SER A 43 -11.272 -10.038 -6.920 1.00 0.00 O ATOM 598 CB SER A 43 -11.707 -11.138 -4.205 1.00 0.00 C ATOM 599 OG SER A 43 -11.665 -11.986 -5.349 1.00 0.00 O ATOM 0 H SER A 43 -13.360 -9.003 -5.684 1.00 0.00 H new ATOM 0 HA SER A 43 -11.200 -9.106 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.852 -11.352 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.603 -11.357 -3.624 1.00 0.00 H new ATOM 0 HG SER A 43 -11.294 -12.857 -5.097 1.00 0.00 H new ATOM 605 N VAL A 44 -9.902 -8.618 -5.815 1.00 0.00 N ATOM 606 CA VAL A 44 -9.081 -8.329 -6.979 1.00 0.00 C ATOM 607 C VAL A 44 -7.614 -8.599 -6.642 1.00 0.00 C ATOM 608 O VAL A 44 -7.252 -8.710 -5.472 1.00 0.00 O ATOM 609 CB VAL A 44 -9.332 -6.896 -7.453 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.825 -6.561 -7.423 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.529 -5.894 -6.620 1.00 0.00 C ATOM 0 H VAL A 44 -9.620 -8.134 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.350 -8.983 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.993 -6.821 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.975 -5.537 -7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.365 -7.245 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.200 -6.662 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.726 -4.883 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.823 -5.972 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.465 -6.112 -6.715 1.00 0.00 H new ATOM 621 N ARG A 45 -6.808 -8.697 -7.689 1.00 0.00 N ATOM 622 CA ARG A 45 -5.387 -8.952 -7.519 1.00 0.00 C ATOM 623 C ARG A 45 -4.593 -8.308 -8.657 1.00 0.00 C ATOM 624 O ARG A 45 -4.712 -8.716 -9.811 1.00 0.00 O ATOM 625 CB ARG A 45 -5.097 -10.454 -7.490 1.00 0.00 C ATOM 626 CG ARG A 45 -3.613 -10.720 -7.233 1.00 0.00 C ATOM 627 CD ARG A 45 -3.162 -12.015 -7.913 1.00 0.00 C ATOM 628 NE ARG A 45 -3.280 -13.149 -6.970 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.449 -13.360 -5.940 1.00 0.00 C ATOM 630 NH1 ARG A 45 -1.433 -12.515 -5.715 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.632 -14.416 -5.136 1.00 0.00 N ATOM 0 H ARG A 45 -7.112 -8.604 -8.658 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.083 -8.516 -6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.695 -10.929 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.392 -10.903 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.020 -9.884 -7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.432 -10.786 -6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.771 -12.202 -8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.130 -11.918 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.042 -13.812 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.293 -11.712 -6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.800 -12.675 -4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.404 -15.060 -5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.999 -14.576 -4.352 1.00 0.00 H new ATOM 645 N LEU A 46 -3.799 -7.312 -8.292 1.00 0.00 N ATOM 646 CA LEU A 46 -2.985 -6.607 -9.267 1.00 0.00 C ATOM 647 C LEU A 46 -1.506 -6.874 -8.979 1.00 0.00 C ATOM 648 O LEU A 46 -1.164 -7.433 -7.938 1.00 0.00 O ATOM 649 CB LEU A 46 -3.347 -5.121 -9.294 1.00 0.00 C ATOM 650 CG LEU A 46 -2.468 -4.200 -8.445 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.487 -2.770 -8.988 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.874 -4.260 -6.972 1.00 0.00 C ATOM 0 H LEU A 46 -3.702 -6.976 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.187 -6.979 -10.271 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.307 -4.777 -10.327 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.379 -5.013 -8.961 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.439 -4.554 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.854 -2.136 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.112 -2.764 -10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.508 -2.389 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.234 -3.596 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.912 -3.945 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.766 -5.281 -6.606 1.00 0.00 H new ATOM 664 N ILE A 47 -0.669 -6.463 -9.920 1.00 0.00 N ATOM 665 CA ILE A 47 0.765 -6.651 -9.781 1.00 0.00 C ATOM 666 C ILE A 47 1.486 -5.369 -10.201 1.00 0.00 C ATOM 667 O ILE A 47 0.921 -4.537 -10.909 1.00 0.00 O ATOM 668 CB ILE A 47 1.220 -7.892 -10.550 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.391 -7.583 -12.038 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.265 -9.064 -10.313 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.041 -7.290 -12.696 1.00 0.00 C ATOM 0 H ILE A 47 -0.957 -6.000 -10.782 1.00 0.00 H new ATOM 0 HA ILE A 47 1.025 -6.837 -8.739 1.00 0.00 H new ATOM 0 HB ILE A 47 2.197 -8.191 -10.170 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.053 -6.726 -12.161 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.867 -8.428 -12.536 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.611 -9.934 -10.871 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.238 -9.302 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.735 -8.792 -10.649 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.191 -7.073 -13.754 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.610 -8.158 -12.592 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.421 -6.430 -12.212 1.00 0.00 H new ATOM 683 N TRP A 48 2.725 -5.248 -9.746 1.00 0.00 N ATOM 684 CA TRP A 48 3.530 -4.081 -10.066 1.00 0.00 C ATOM 685 C TRP A 48 4.997 -4.514 -10.102 1.00 0.00 C ATOM 686 O TRP A 48 5.311 -5.678 -9.856 1.00 0.00 O ATOM 687 CB TRP A 48 3.266 -2.945 -9.076 1.00 0.00 C ATOM 688 CG TRP A 48 3.771 -3.225 -7.659 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.940 -2.862 -7.113 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.071 -3.946 -6.623 1.00 0.00 C ATOM 691 NE1 TRP A 48 5.044 -3.294 -5.807 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.871 -3.974 -5.499 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.803 -4.554 -6.635 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.493 -4.598 -4.304 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.440 -5.173 -5.433 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.234 -5.211 -4.293 1.00 0.00 C ATOM 0 H TRP A 48 3.191 -5.939 -9.158 1.00 0.00 H new ATOM 0 HA TRP A 48 3.261 -3.683 -11.044 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.740 -2.036 -9.447 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.194 -2.752 -9.037 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.705 -2.302 -7.631 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.836 -3.142 -5.182 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.160 -4.544 -7.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.138 -4.606 -3.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.475 -5.655 -5.388 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.882 -5.711 -3.403 1.00 0.00 H new ATOM 707 N GLN A 49 5.856 -3.554 -10.410 1.00 0.00 N ATOM 708 CA GLN A 49 7.283 -3.822 -10.482 1.00 0.00 C ATOM 709 C GLN A 49 8.065 -2.726 -9.756 1.00 0.00 C ATOM 710 O GLN A 49 7.537 -1.644 -9.502 1.00 0.00 O ATOM 711 CB GLN A 49 7.744 -3.953 -11.935 1.00 0.00 C ATOM 712 CG GLN A 49 7.516 -5.374 -12.456 1.00 0.00 C ATOM 713 CD GLN A 49 8.416 -5.668 -13.657 1.00 0.00 C ATOM 714 OE1 GLN A 49 9.633 -5.631 -13.578 1.00 0.00 O ATOM 715 NE2 GLN A 49 7.752 -5.962 -14.772 1.00 0.00 N ATOM 0 H GLN A 49 5.592 -2.590 -10.613 1.00 0.00 H new ATOM 0 HA GLN A 49 7.480 -4.772 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.202 -3.242 -12.558 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.802 -3.700 -12.009 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.717 -6.093 -11.662 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.471 -5.497 -12.741 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.732 -5.976 -14.770 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.263 -6.174 -15.629 1.00 0.00 H new ATOM 724 N PRO A 50 9.346 -3.052 -9.433 1.00 0.00 N ATOM 725 CA PRO A 50 10.206 -2.107 -8.740 1.00 0.00 C ATOM 726 C PRO A 50 10.689 -1.008 -9.689 1.00 0.00 C ATOM 727 O PRO A 50 10.824 -1.235 -10.890 1.00 0.00 O ATOM 728 CB PRO A 50 11.341 -2.948 -8.179 1.00 0.00 C ATOM 729 CG PRO A 50 11.324 -4.249 -8.965 1.00 0.00 C ATOM 730 CD PRO A 50 10.005 -4.323 -9.716 1.00 0.00 C ATOM 0 HA PRO A 50 9.689 -1.575 -7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.297 -2.437 -8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.200 -3.133 -7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.162 -4.285 -9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.430 -5.102 -8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.165 -4.456 -10.786 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.403 -5.166 -9.376 1.00 0.00 H new ATOM 738 N PRO A 51 10.942 0.191 -9.098 1.00 0.00 N ATOM 739 CA PRO A 51 11.406 1.326 -9.877 1.00 0.00 C ATOM 740 C PRO A 51 12.879 1.163 -10.258 1.00 0.00 C ATOM 741 O PRO A 51 13.739 1.038 -9.387 1.00 0.00 O ATOM 742 CB PRO A 51 11.150 2.538 -8.997 1.00 0.00 C ATOM 743 CG PRO A 51 10.985 2.001 -7.585 1.00 0.00 C ATOM 744 CD PRO A 51 10.792 0.496 -7.678 1.00 0.00 C ATOM 0 HA PRO A 51 10.884 1.425 -10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.980 3.243 -9.052 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.256 3.072 -9.319 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.862 2.237 -6.982 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.128 2.466 -7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.531 -0.036 -7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.810 0.199 -7.311 1.00 0.00 H new ATOM 752 N ALA A 52 13.125 1.171 -11.560 1.00 0.00 N ATOM 753 CA ALA A 52 14.479 1.026 -12.066 1.00 0.00 C ATOM 754 C ALA A 52 15.422 1.911 -11.248 1.00 0.00 C ATOM 755 O ALA A 52 16.604 1.601 -11.107 1.00 0.00 O ATOM 756 CB ALA A 52 14.506 1.368 -13.557 1.00 0.00 C ATOM 0 H ALA A 52 12.410 1.276 -12.279 1.00 0.00 H new ATOM 0 HA ALA A 52 14.820 -0.004 -11.961 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.522 1.259 -13.937 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.842 0.693 -14.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.173 2.396 -13.701 1.00 0.00 H new ATOM 762 N ALA A 53 14.865 2.996 -10.731 1.00 0.00 N ATOM 763 CA ALA A 53 15.641 3.928 -9.931 1.00 0.00 C ATOM 764 C ALA A 53 15.077 3.966 -8.510 1.00 0.00 C ATOM 765 O ALA A 53 14.253 4.821 -8.188 1.00 0.00 O ATOM 766 CB ALA A 53 15.632 5.305 -10.599 1.00 0.00 C ATOM 0 H ALA A 53 13.885 3.251 -10.851 1.00 0.00 H new ATOM 0 HA ALA A 53 16.680 3.604 -9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.214 6.004 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.070 5.229 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.606 5.663 -10.680 1.00 0.00 H new ATOM 772 N PRO A 54 15.555 3.005 -7.675 1.00 0.00 N ATOM 773 CA PRO A 54 15.107 2.921 -6.296 1.00 0.00 C ATOM 774 C PRO A 54 15.742 4.023 -5.445 1.00 0.00 C ATOM 775 O PRO A 54 15.100 4.567 -4.548 1.00 0.00 O ATOM 776 CB PRO A 54 15.495 1.523 -5.841 1.00 0.00 C ATOM 777 CG PRO A 54 16.552 1.043 -6.822 1.00 0.00 C ATOM 778 CD PRO A 54 16.532 1.976 -8.022 1.00 0.00 C ATOM 0 HA PRO A 54 14.033 3.076 -6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.885 1.538 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.631 0.858 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.536 1.044 -6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.348 0.018 -7.132 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.516 2.409 -8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.244 1.447 -8.930 1.00 0.00 H new ATOM 786 N ASN A 55 16.995 4.321 -5.758 1.00 0.00 N ATOM 787 CA ASN A 55 17.723 5.348 -5.034 1.00 0.00 C ATOM 788 C ASN A 55 17.451 5.200 -3.535 1.00 0.00 C ATOM 789 O ASN A 55 17.175 6.184 -2.850 1.00 0.00 O ATOM 790 CB ASN A 55 17.272 6.747 -5.460 1.00 0.00 C ATOM 791 CG ASN A 55 17.172 6.850 -6.983 1.00 0.00 C ATOM 792 OD1 ASN A 55 18.127 6.631 -7.710 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.966 7.196 -7.423 1.00 0.00 N ATOM 0 H ASN A 55 17.524 3.869 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 55 18.784 5.228 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.304 6.973 -5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 55 17.977 7.490 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.797 7.293 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.210 7.365 -6.759 1.00 0.00 H new ATOM 800 N GLY A 56 17.538 3.963 -3.070 1.00 0.00 N ATOM 801 CA GLY A 56 17.305 3.673 -1.665 1.00 0.00 C ATOM 802 C GLY A 56 16.796 2.242 -1.478 1.00 0.00 C ATOM 803 O GLY A 56 15.845 1.827 -2.137 1.00 0.00 O ATOM 0 H GLY A 56 17.767 3.149 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.229 3.810 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.578 4.377 -1.260 1.00 0.00 H new ATOM 807 N ILE A 57 17.453 1.528 -0.575 1.00 0.00 N ATOM 808 CA ILE A 57 17.079 0.153 -0.293 1.00 0.00 C ATOM 809 C ILE A 57 15.618 0.109 0.159 1.00 0.00 C ATOM 810 O ILE A 57 15.277 0.627 1.221 1.00 0.00 O ATOM 811 CB ILE A 57 18.051 -0.472 0.710 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.314 -0.976 0.008 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.369 -1.573 1.523 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.777 0.012 -1.064 1.00 0.00 C ATOM 0 H ILE A 57 18.242 1.876 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 57 17.153 -0.454 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 57 18.360 0.302 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.108 -1.122 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.118 -1.947 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.083 -2.000 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.526 -1.152 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.012 -2.353 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.676 -0.370 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.990 0.137 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.995 0.975 -0.602 1.00 0.00 H new ATOM 826 N ILE A 58 14.794 -0.515 -0.671 1.00 0.00 N ATOM 827 CA ILE A 58 13.377 -0.633 -0.370 1.00 0.00 C ATOM 828 C ILE A 58 13.203 -1.362 0.963 1.00 0.00 C ATOM 829 O ILE A 58 13.840 -2.387 1.203 1.00 0.00 O ATOM 830 CB ILE A 58 12.636 -1.294 -1.534 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.892 -0.544 -2.843 1.00 0.00 C ATOM 832 CG2 ILE A 58 11.142 -1.424 -1.230 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.397 0.901 -2.753 1.00 0.00 C ATOM 0 H ILE A 58 15.080 -0.944 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 58 12.928 0.353 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 58 13.028 -2.303 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.958 -0.553 -3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.388 -1.055 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.639 -1.897 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.004 -2.034 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.717 -0.434 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.591 1.412 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.326 0.907 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.921 1.416 -1.948 1.00 0.00 H new ATOM 845 N LEU A 59 12.336 -0.805 1.797 1.00 0.00 N ATOM 846 CA LEU A 59 12.069 -1.390 3.100 1.00 0.00 C ATOM 847 C LEU A 59 10.675 -2.021 3.096 1.00 0.00 C ATOM 848 O LEU A 59 10.392 -2.914 3.893 1.00 0.00 O ATOM 849 CB LEU A 59 12.270 -0.350 4.205 1.00 0.00 C ATOM 850 CG LEU A 59 13.568 0.458 4.136 1.00 0.00 C ATOM 851 CD1 LEU A 59 13.619 1.507 5.249 1.00 0.00 C ATOM 852 CD2 LEU A 59 14.789 -0.463 4.160 1.00 0.00 C ATOM 0 H LEU A 59 11.810 0.045 1.595 1.00 0.00 H new ATOM 0 HA LEU A 59 12.780 -2.189 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.431 0.345 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.233 -0.860 5.168 1.00 0.00 H new ATOM 0 HG LEU A 59 13.588 0.993 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.551 2.068 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.776 2.190 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.566 1.012 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.698 0.136 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.788 -1.044 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.752 -1.138 3.305 1.00 0.00 H new ATOM 864 N ALA A 60 9.842 -1.531 2.189 1.00 0.00 N ATOM 865 CA ALA A 60 8.485 -2.036 2.071 1.00 0.00 C ATOM 866 C ALA A 60 7.722 -1.200 1.041 1.00 0.00 C ATOM 867 O ALA A 60 8.312 -0.370 0.350 1.00 0.00 O ATOM 868 CB ALA A 60 7.813 -2.022 3.445 1.00 0.00 C ATOM 0 H ALA A 60 10.081 -0.790 1.530 1.00 0.00 H new ATOM 0 HA ALA A 60 8.489 -3.068 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.795 -2.401 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.376 -2.653 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.788 -1.002 3.828 1.00 0.00 H new ATOM 874 N TYR A 61 6.423 -1.448 0.969 1.00 0.00 N ATOM 875 CA TYR A 61 5.574 -0.729 0.035 1.00 0.00 C ATOM 876 C TYR A 61 4.206 -0.431 0.653 1.00 0.00 C ATOM 877 O TYR A 61 3.909 -0.885 1.757 1.00 0.00 O ATOM 878 CB TYR A 61 5.386 -1.658 -1.166 1.00 0.00 C ATOM 879 CG TYR A 61 6.517 -1.585 -2.193 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.705 -2.250 -1.960 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.351 -0.855 -3.352 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.770 -2.181 -2.926 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.416 -0.786 -4.319 1.00 0.00 C ATOM 884 CZ TYR A 61 8.573 -1.453 -4.058 1.00 0.00 C ATOM 885 OH TYR A 61 9.579 -1.388 -4.971 1.00 0.00 O ATOM 0 H TYR A 61 5.937 -2.137 1.543 1.00 0.00 H new ATOM 0 HA TYR A 61 6.028 0.223 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.300 -2.684 -0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.445 -1.412 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.835 -2.822 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.422 -0.335 -3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.704 -2.696 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.299 -0.218 -5.230 1.00 0.00 H new ATOM 0 HH TYR A 61 10.107 -2.213 -4.936 1.00 0.00 H new ATOM 895 N GLN A 62 3.411 0.329 -0.085 1.00 0.00 N ATOM 896 CA GLN A 62 2.083 0.693 0.378 1.00 0.00 C ATOM 897 C GLN A 62 1.078 0.605 -0.773 1.00 0.00 C ATOM 898 O GLN A 62 1.343 1.089 -1.872 1.00 0.00 O ATOM 899 CB GLN A 62 2.082 2.090 1.001 1.00 0.00 C ATOM 900 CG GLN A 62 0.723 2.412 1.625 1.00 0.00 C ATOM 901 CD GLN A 62 0.827 3.601 2.582 1.00 0.00 C ATOM 902 OE1 GLN A 62 1.164 3.466 3.747 1.00 0.00 O ATOM 903 NE2 GLN A 62 0.518 4.770 2.028 1.00 0.00 N ATOM 0 H GLN A 62 3.661 0.703 -1.001 1.00 0.00 H new ATOM 0 HA GLN A 62 1.783 -0.013 1.152 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.860 2.153 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.321 2.832 0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.002 2.635 0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.350 1.540 2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.244 4.813 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.555 5.624 2.585 1.00 0.00 H new ATOM 912 N ILE A 63 -0.055 -0.017 -0.480 1.00 0.00 N ATOM 913 CA ILE A 63 -1.101 -0.174 -1.477 1.00 0.00 C ATOM 914 C ILE A 63 -2.405 0.419 -0.939 1.00 0.00 C ATOM 915 O ILE A 63 -3.043 -0.166 -0.065 1.00 0.00 O ATOM 916 CB ILE A 63 -1.220 -1.639 -1.901 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.695 -1.843 -3.323 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.657 -2.140 -1.743 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.149 -3.115 -3.419 1.00 0.00 C ATOM 0 H ILE A 63 -0.271 -0.418 0.433 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.850 0.377 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.595 -2.238 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.532 -1.905 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.096 -0.982 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.714 -3.184 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.960 -2.052 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.322 -1.541 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.510 -3.236 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.999 -3.040 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.459 -3.977 -3.145 1.00 0.00 H new ATOM 931 N THR A 64 -2.762 1.572 -1.484 1.00 0.00 N ATOM 932 CA THR A 64 -3.978 2.251 -1.070 1.00 0.00 C ATOM 933 C THR A 64 -5.087 2.033 -2.101 1.00 0.00 C ATOM 934 O THR A 64 -4.935 2.394 -3.267 1.00 0.00 O ATOM 935 CB THR A 64 -3.642 3.726 -0.841 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.600 4.280 -2.153 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.223 3.927 -0.306 1.00 0.00 C ATOM 0 H THR A 64 -2.230 2.054 -2.209 1.00 0.00 H new ATOM 0 HA THR A 64 -4.361 1.842 -0.135 1.00 0.00 H new ATOM 0 HB THR A 64 -4.358 4.157 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.745 3.570 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.036 4.991 -0.161 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.116 3.407 0.646 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.504 3.526 -1.021 1.00 0.00 H new ATOM 945 N HIS A 65 -6.179 1.445 -1.634 1.00 0.00 N ATOM 946 CA HIS A 65 -7.313 1.175 -2.501 1.00 0.00 C ATOM 947 C HIS A 65 -8.567 1.838 -1.927 1.00 0.00 C ATOM 948 O HIS A 65 -8.811 1.776 -0.723 1.00 0.00 O ATOM 949 CB HIS A 65 -7.485 -0.330 -2.718 1.00 0.00 C ATOM 950 CG HIS A 65 -8.068 -1.059 -1.531 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.096 -0.728 -0.208 1.00 0.00 N flip ATOM 952 CD2 HIS A 65 -8.712 -2.278 -1.643 1.00 0.00 C flip ATOM 953 CE1 HIS A 65 -8.724 -1.693 0.452 1.00 0.00 C flip ATOM 954 NE2 HIS A 65 -9.107 -2.655 -0.436 1.00 0.00 N flip ATOM 0 H HIS A 65 -6.302 1.148 -0.666 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.134 1.607 -3.485 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.129 -0.491 -3.582 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.515 -0.765 -2.958 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.701 0.118 0.204 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.867 -2.829 -2.559 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.902 -1.713 1.517 1.00 0.00 H new ATOM 962 N ARG A 66 -9.328 2.459 -2.816 1.00 0.00 N ATOM 963 CA ARG A 66 -10.551 3.133 -2.413 1.00 0.00 C ATOM 964 C ARG A 66 -11.451 3.370 -3.628 1.00 0.00 C ATOM 965 O ARG A 66 -10.963 3.639 -4.724 1.00 0.00 O ATOM 966 CB ARG A 66 -10.245 4.475 -1.745 1.00 0.00 C ATOM 967 CG ARG A 66 -9.560 5.432 -2.724 1.00 0.00 C ATOM 968 CD ARG A 66 -8.582 6.355 -1.994 1.00 0.00 C ATOM 969 NE ARG A 66 -7.661 6.986 -2.966 1.00 0.00 N ATOM 970 CZ ARG A 66 -6.741 7.905 -2.642 1.00 0.00 C ATOM 971 NH1 ARG A 66 -6.614 8.306 -1.370 1.00 0.00 N ATOM 972 NH2 ARG A 66 -5.948 8.422 -3.590 1.00 0.00 N ATOM 0 H ARG A 66 -9.122 2.510 -3.814 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.063 2.491 -1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.169 4.923 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.604 4.316 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.028 4.861 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.312 6.028 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.131 7.123 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.014 5.787 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.731 6.704 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.217 7.912 -0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.914 9.005 -1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.045 8.116 -4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.248 9.121 -3.343 1.00 0.00 H new ATOM 986 N LEU A 67 -12.750 3.260 -3.391 1.00 0.00 N ATOM 987 CA LEU A 67 -13.724 3.458 -4.451 1.00 0.00 C ATOM 988 C LEU A 67 -13.568 4.868 -5.024 1.00 0.00 C ATOM 989 O LEU A 67 -13.820 5.854 -4.333 1.00 0.00 O ATOM 990 CB LEU A 67 -15.135 3.152 -3.947 1.00 0.00 C ATOM 991 CG LEU A 67 -15.568 1.686 -4.015 1.00 0.00 C ATOM 992 CD1 LEU A 67 -17.064 1.542 -3.725 1.00 0.00 C ATOM 993 CD2 LEU A 67 -15.182 1.061 -5.357 1.00 0.00 C ATOM 0 H LEU A 67 -13.151 3.036 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.544 2.759 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.210 3.485 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.843 3.746 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.035 1.137 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.346 0.490 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.280 1.924 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.634 2.109 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.501 0.019 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.668 1.606 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.101 1.112 -5.484 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.534 -0.137 3.237 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.840 -1.327 3.699 1.00 0.00 C ATOM 1141 C GLU A 78 -0.364 -1.269 3.303 1.00 0.00 C ATOM 1142 O GLU A 78 -0.034 -0.911 2.173 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.504 -2.595 3.157 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.592 -3.811 3.336 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.352 -4.977 3.972 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -2.900 -4.763 5.075 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -2.368 -6.055 3.340 1.00 0.00 O ATOM 0 HA GLU A 78 -1.903 -1.360 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.448 -2.765 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.738 -2.464 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.193 -4.117 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.741 -3.543 3.961 1.00 0.00 H new ATOM 1154 N VAL A 79 0.486 -1.626 4.255 1.00 0.00 N ATOM 1155 CA VAL A 79 1.920 -1.619 4.019 1.00 0.00 C ATOM 1156 C VAL A 79 2.377 -3.030 3.642 1.00 0.00 C ATOM 1157 O VAL A 79 2.084 -3.992 4.350 1.00 0.00 O ATOM 1158 CB VAL A 79 2.649 -1.062 5.244 1.00 0.00 C ATOM 1159 CG1 VAL A 79 4.021 -1.717 5.410 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.774 0.460 5.161 1.00 0.00 C ATOM 0 H VAL A 79 0.209 -1.922 5.191 1.00 0.00 H new ATOM 0 HA VAL A 79 2.167 -0.963 3.184 1.00 0.00 H new ATOM 0 HB VAL A 79 2.055 -1.302 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.518 -1.303 6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.898 -2.793 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.627 -1.522 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.296 0.831 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.336 0.731 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.780 0.905 5.114 1.00 0.00 H new ATOM 1170 N LEU A 80 3.088 -3.108 2.526 1.00 0.00 N ATOM 1171 CA LEU A 80 3.589 -4.384 2.046 1.00 0.00 C ATOM 1172 C LEU A 80 5.096 -4.464 2.299 1.00 0.00 C ATOM 1173 O LEU A 80 5.718 -3.474 2.682 1.00 0.00 O ATOM 1174 CB LEU A 80 3.199 -4.596 0.582 1.00 0.00 C ATOM 1175 CG LEU A 80 1.721 -4.889 0.316 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.219 -4.113 -0.903 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.476 -6.393 0.180 1.00 0.00 C ATOM 0 H LEU A 80 3.329 -2.308 1.941 1.00 0.00 H new ATOM 0 HA LEU A 80 3.129 -5.205 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.479 -3.705 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.790 -5.422 0.186 1.00 0.00 H new ATOM 0 HG LEU A 80 1.145 -4.546 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.166 -4.339 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.337 -3.044 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.796 -4.402 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.418 -6.574 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.064 -6.784 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.771 -6.895 1.102 1.00 0.00 H new ATOM 1189 N ALA A 81 5.639 -5.652 2.075 1.00 0.00 N ATOM 1190 CA ALA A 81 7.061 -5.873 2.274 1.00 0.00 C ATOM 1191 C ALA A 81 7.836 -5.277 1.097 1.00 0.00 C ATOM 1192 O ALA A 81 7.244 -4.906 0.084 1.00 0.00 O ATOM 1193 CB ALA A 81 7.325 -7.371 2.447 1.00 0.00 C ATOM 0 H ALA A 81 5.120 -6.471 1.758 1.00 0.00 H new ATOM 0 HA ALA A 81 7.404 -5.374 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.392 -7.538 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.775 -7.740 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.996 -7.904 1.555 1.00 0.00 H new ATOM 1199 N PRO A 82 9.182 -5.201 1.274 1.00 0.00 N ATOM 1200 CA PRO A 82 10.044 -4.656 0.239 1.00 0.00 C ATOM 1201 C PRO A 82 10.216 -5.650 -0.911 1.00 0.00 C ATOM 1202 O PRO A 82 10.771 -5.308 -1.954 1.00 0.00 O ATOM 1203 CB PRO A 82 11.350 -4.331 0.945 1.00 0.00 C ATOM 1204 CG PRO A 82 11.335 -5.131 2.237 1.00 0.00 C ATOM 1205 CD PRO A 82 9.917 -5.630 2.460 1.00 0.00 C ATOM 0 HA PRO A 82 9.628 -3.764 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.206 -4.603 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.429 -3.263 1.148 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.029 -5.969 2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.657 -4.511 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.892 -6.714 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.486 -5.207 3.367 1.00 0.00 H new ATOM 1213 N SER A 83 9.731 -6.861 -0.681 1.00 0.00 N ATOM 1214 CA SER A 83 9.825 -7.908 -1.684 1.00 0.00 C ATOM 1215 C SER A 83 8.430 -8.260 -2.205 1.00 0.00 C ATOM 1216 O SER A 83 8.158 -9.415 -2.531 1.00 0.00 O ATOM 1217 CB SER A 83 10.510 -9.154 -1.119 1.00 0.00 C ATOM 1218 OG SER A 83 9.614 -9.956 -0.356 1.00 0.00 O ATOM 0 H SER A 83 9.272 -7.141 0.186 1.00 0.00 H new ATOM 0 HA SER A 83 10.432 -7.536 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.918 -9.746 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.350 -8.853 -0.493 1.00 0.00 H new ATOM 0 HG SER A 83 8.894 -10.283 -0.935 1.00 0.00 H new ATOM 1224 N ALA A 84 7.582 -7.244 -2.267 1.00 0.00 N ATOM 1225 CA ALA A 84 6.222 -7.431 -2.743 1.00 0.00 C ATOM 1226 C ALA A 84 6.160 -7.107 -4.236 1.00 0.00 C ATOM 1227 O ALA A 84 6.624 -6.052 -4.666 1.00 0.00 O ATOM 1228 CB ALA A 84 5.268 -6.565 -1.917 1.00 0.00 C ATOM 0 H ALA A 84 7.811 -6.288 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 84 5.911 -8.468 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.248 -6.705 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.329 -6.856 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.547 -5.516 -2.020 1.00 0.00 H new ATOM 1234 N ARG A 85 5.582 -8.033 -4.987 1.00 0.00 N ATOM 1235 CA ARG A 85 5.452 -7.859 -6.424 1.00 0.00 C ATOM 1236 C ARG A 85 3.981 -7.691 -6.808 1.00 0.00 C ATOM 1237 O ARG A 85 3.669 -7.119 -7.851 1.00 0.00 O ATOM 1238 CB ARG A 85 6.036 -9.054 -7.179 1.00 0.00 C ATOM 1239 CG ARG A 85 6.394 -8.674 -8.617 1.00 0.00 C ATOM 1240 CD ARG A 85 7.823 -8.135 -8.702 1.00 0.00 C ATOM 1241 NE ARG A 85 8.377 -8.379 -10.052 1.00 0.00 N ATOM 1242 CZ ARG A 85 8.765 -9.582 -10.499 1.00 0.00 C ATOM 1243 NH1 ARG A 85 8.662 -10.656 -9.706 1.00 0.00 N ATOM 1244 NH2 ARG A 85 9.255 -9.709 -11.740 1.00 0.00 N ATOM 0 H ARG A 85 5.198 -8.907 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 85 6.007 -6.963 -6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.925 -9.415 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.316 -9.872 -7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.291 -9.546 -9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.695 -7.922 -8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.831 -7.067 -8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.448 -8.618 -7.951 1.00 0.00 H new ATOM 0 HE ARG A 85 8.470 -7.582 -10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.288 -10.559 -8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.957 -11.571 -10.046 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.333 -8.891 -12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.550 -10.624 -12.081 1.00 0.00 H new ATOM 1258 N GLN A 86 3.115 -8.199 -5.943 1.00 0.00 N ATOM 1259 CA GLN A 86 1.684 -8.112 -6.178 1.00 0.00 C ATOM 1260 C GLN A 86 0.930 -8.047 -4.849 1.00 0.00 C ATOM 1261 O GLN A 86 1.512 -8.275 -3.789 1.00 0.00 O ATOM 1262 CB GLN A 86 1.196 -9.287 -7.028 1.00 0.00 C ATOM 1263 CG GLN A 86 1.230 -10.592 -6.230 1.00 0.00 C ATOM 1264 CD GLN A 86 1.519 -11.786 -7.142 1.00 0.00 C ATOM 1265 OE1 GLN A 86 2.529 -12.460 -7.024 1.00 0.00 O ATOM 1266 NE2 GLN A 86 0.579 -12.008 -8.057 1.00 0.00 N ATOM 0 H GLN A 86 3.377 -8.672 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 86 1.482 -7.196 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.180 -9.094 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.821 -9.383 -7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.994 -10.529 -5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.275 -10.738 -5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -0.242 -11.405 -8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 86 0.680 -12.781 -8.715 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.354 -7.734 -4.947 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.193 -7.636 -3.765 1.00 0.00 C ATOM 1277 C TYR A 87 -2.648 -7.973 -4.097 1.00 0.00 C ATOM 1278 O TYR A 87 -3.172 -7.539 -5.121 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.111 -6.177 -3.310 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.179 -5.784 -2.288 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -3.407 -5.320 -2.716 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -1.915 -5.892 -0.938 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -4.412 -4.950 -1.754 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -2.921 -5.521 0.024 1.00 0.00 C ATOM 1285 CZ TYR A 87 -4.119 -5.069 -0.431 1.00 0.00 C ATOM 1286 OH TYR A 87 -5.069 -4.719 0.477 1.00 0.00 O ATOM 0 H TYR A 87 -0.834 -7.545 -5.827 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.858 -8.333 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.126 -5.996 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.201 -5.529 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.614 -5.235 -3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.955 -6.255 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.377 -4.586 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.727 -5.600 1.084 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.722 -4.857 1.383 1.00 0.00 H new ATOM 1296 N THR A 88 -3.259 -8.745 -3.210 1.00 0.00 N ATOM 1297 CA THR A 88 -4.644 -9.146 -3.395 1.00 0.00 C ATOM 1298 C THR A 88 -5.565 -8.306 -2.509 1.00 0.00 C ATOM 1299 O THR A 88 -5.373 -8.238 -1.296 1.00 0.00 O ATOM 1300 CB THR A 88 -4.741 -10.649 -3.123 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.777 -11.224 -4.000 1.00 0.00 O ATOM 1302 CG2 THR A 88 -6.072 -11.243 -3.589 1.00 0.00 C ATOM 0 H THR A 88 -2.821 -9.103 -2.362 1.00 0.00 H new ATOM 0 HA THR A 88 -4.976 -8.965 -4.417 1.00 0.00 H new ATOM 0 HB THR A 88 -4.615 -10.834 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.772 -12.198 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.089 -12.311 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.892 -10.753 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.184 -11.088 -4.662 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.547 -7.688 -3.149 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.499 -6.855 -2.433 1.00 0.00 C ATOM 1312 C ALA A 89 -8.798 -7.637 -2.226 1.00 0.00 C ATOM 1313 O ALA A 89 -9.402 -8.111 -3.187 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.719 -5.553 -3.205 1.00 0.00 C ATOM 0 H ALA A 89 -6.704 -7.747 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.113 -6.589 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.433 -4.928 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.772 -5.022 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.109 -5.780 -4.197 1.00 0.00 H new ATOM 1320 N THR A 90 -9.190 -7.747 -0.965 1.00 0.00 N ATOM 1321 CA THR A 90 -10.406 -8.462 -0.620 1.00 0.00 C ATOM 1322 C THR A 90 -11.362 -7.549 0.151 1.00 0.00 C ATOM 1323 O THR A 90 -10.934 -6.572 0.764 1.00 0.00 O ATOM 1324 CB THR A 90 -10.011 -9.720 0.156 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.125 -9.242 1.165 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.149 -10.673 -0.674 1.00 0.00 C ATOM 0 H THR A 90 -8.687 -7.353 -0.170 1.00 0.00 H new ATOM 0 HA THR A 90 -10.950 -8.770 -1.513 1.00 0.00 H new ATOM 0 HB THR A 90 -10.910 -10.239 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.821 -9.993 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.897 -11.549 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.702 -10.985 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.234 -10.165 -0.978 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.639 -7.898 0.094 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.658 -7.122 0.779 1.00 0.00 C ATOM 1336 C GLY A 91 -13.919 -5.800 0.054 1.00 0.00 C ATOM 1337 O GLY A 91 -13.687 -4.727 0.610 1.00 0.00 O ATOM 0 H GLY A 91 -12.991 -8.708 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.582 -7.698 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.342 -6.923 1.803 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.399 -5.920 -1.175 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.694 -4.747 -1.981 1.00 0.00 C ATOM 1343 C LEU A 92 -16.124 -4.849 -2.517 1.00 0.00 C ATOM 1344 O LEU A 92 -16.770 -5.886 -2.378 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.638 -4.568 -3.073 1.00 0.00 C ATOM 1346 CG LEU A 92 -12.210 -4.967 -2.697 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.434 -5.450 -3.924 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.492 -3.821 -1.980 1.00 0.00 C ATOM 0 H LEU A 92 -14.591 -6.811 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.645 -3.844 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.940 -5.152 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.633 -3.522 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.261 -5.803 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.422 -5.727 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.937 -6.316 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.390 -4.651 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.479 -4.130 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.451 -2.951 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.034 -3.565 -1.070 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.575 -3.759 -3.119 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.915 -3.712 -3.678 1.00 0.00 C ATOM 1362 C LYS A 93 -17.836 -3.869 -5.198 1.00 0.00 C ATOM 1363 O LYS A 93 -17.062 -3.177 -5.857 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.640 -2.442 -3.227 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.975 -2.284 -3.958 1.00 0.00 C ATOM 1366 CD LYS A 93 -20.204 -0.829 -4.372 1.00 0.00 C ATOM 1367 CE LYS A 93 -20.116 0.105 -3.164 1.00 0.00 C ATOM 1368 NZ LYS A 93 -20.653 1.442 -3.502 1.00 0.00 N ATOM 0 H LYS A 93 -16.036 -2.901 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.513 -4.543 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.813 -2.480 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -18.011 -1.572 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.988 -2.923 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.789 -2.615 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -19.463 -0.538 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -21.183 -0.731 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -20.675 -0.317 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.079 0.194 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.586 2.063 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -20.102 1.850 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.649 1.354 -3.789 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.669 -4.806 -5.723 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.700 -5.062 -7.153 1.00 0.00 C ATOM 1384 C PRO A 94 -19.435 -3.944 -7.895 1.00 0.00 C ATOM 1385 O PRO A 94 -20.199 -3.191 -7.291 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.379 -6.415 -7.296 1.00 0.00 C ATOM 1387 CG PRO A 94 -20.116 -6.652 -5.988 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.600 -5.645 -4.973 1.00 0.00 C ATOM 0 HA PRO A 94 -17.705 -5.081 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.069 -6.418 -8.139 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.647 -7.202 -7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.191 -6.536 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.949 -7.670 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.414 -5.055 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -19.102 -6.142 -4.140 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.179 -3.870 -9.192 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.807 -2.856 -10.023 1.00 0.00 C ATOM 1398 C GLU A 95 -19.332 -1.462 -9.608 1.00 0.00 C ATOM 1399 O GLU A 95 -20.131 -0.532 -9.514 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.332 -2.958 -9.954 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.821 -4.276 -10.559 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.424 -4.051 -11.947 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -21.673 -3.564 -12.820 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -23.622 -4.371 -12.105 1.00 0.00 O ATOM 0 H GLU A 95 -18.545 -4.496 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.511 -3.027 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.658 -2.887 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.781 -2.120 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.991 -4.979 -10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.566 -4.727 -9.904 1.00 0.00 H new ATOM 1411 N SER A 96 -18.032 -1.361 -9.372 1.00 0.00 N ATOM 1412 CA SER A 96 -17.441 -0.096 -8.970 1.00 0.00 C ATOM 1413 C SER A 96 -15.998 -0.010 -9.471 1.00 0.00 C ATOM 1414 O SER A 96 -15.521 -0.912 -10.158 1.00 0.00 O ATOM 1415 CB SER A 96 -17.485 0.074 -7.450 1.00 0.00 C ATOM 1416 OG SER A 96 -18.793 0.403 -6.988 1.00 0.00 O ATOM 0 H SER A 96 -17.372 -2.134 -9.451 1.00 0.00 H new ATOM 0 HA SER A 96 -18.023 0.710 -9.416 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.153 -0.848 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.788 0.857 -7.152 1.00 0.00 H new ATOM 0 HG SER A 96 -19.432 0.315 -7.726 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.343 1.083 -9.109 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.964 1.298 -9.513 1.00 0.00 C ATOM 1424 C VAL A 97 -13.112 1.580 -8.274 1.00 0.00 C ATOM 1425 O VAL A 97 -13.531 2.317 -7.382 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.893 2.417 -10.555 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.518 2.456 -11.225 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -15.006 2.270 -11.594 1.00 0.00 C ATOM 0 H VAL A 97 -15.742 1.830 -8.540 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.561 0.403 -9.988 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.041 3.366 -10.039 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.494 3.260 -11.961 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.751 2.632 -10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.328 1.504 -11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.933 3.078 -12.322 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.904 1.312 -12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -15.975 2.316 -11.098 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.931 0.979 -8.259 1.00 0.00 N ATOM 1439 CA TYR A 98 -11.016 1.156 -7.144 1.00 0.00 C ATOM 1440 C TYR A 98 -9.641 1.618 -7.631 1.00 0.00 C ATOM 1441 O TYR A 98 -9.057 1.007 -8.524 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.876 -0.220 -6.491 1.00 0.00 C ATOM 1443 CG TYR A 98 -12.013 -0.572 -5.530 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -11.939 -0.194 -4.205 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -13.114 -1.267 -5.989 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -13.010 -0.525 -3.300 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -14.184 -1.598 -5.084 1.00 0.00 C ATOM 1448 CZ TYR A 98 -14.080 -1.211 -3.785 1.00 0.00 C ATOM 1449 OH TYR A 98 -15.091 -1.524 -2.931 1.00 0.00 O ATOM 0 H TYR A 98 -11.587 0.369 -9.001 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.394 1.910 -6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.827 -0.978 -7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.931 -0.259 -5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.078 0.350 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -13.173 -1.562 -7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.964 -0.235 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -15.051 -2.142 -5.430 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.883 -0.991 -3.152 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.165 2.695 -7.023 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.870 3.247 -7.383 1.00 0.00 C ATOM 1461 C LEU A 99 -6.793 2.641 -6.481 1.00 0.00 C ATOM 1462 O LEU A 99 -6.809 2.844 -5.268 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.911 4.776 -7.351 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.556 5.484 -7.394 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -5.862 5.425 -6.032 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.676 4.917 -8.510 1.00 0.00 C ATOM 0 H LEU A 99 -9.653 3.200 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.614 2.980 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.506 5.121 -8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.433 5.087 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.728 6.536 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.901 5.936 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.487 5.913 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.703 4.384 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.719 5.438 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.509 3.854 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.173 5.055 -9.470 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.884 1.909 -7.108 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.802 1.272 -6.377 1.00 0.00 C ATOM 1480 C PHE A 100 -3.519 2.102 -6.463 1.00 0.00 C ATOM 1481 O PHE A 100 -2.939 2.245 -7.539 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.560 -0.089 -7.031 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.497 -1.193 -6.537 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.778 -1.251 -6.991 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -5.049 -2.116 -5.644 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.647 -2.276 -6.532 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.919 -3.140 -5.185 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.200 -3.198 -5.639 1.00 0.00 C ATOM 0 H PHE A 100 -5.875 1.743 -8.114 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.070 1.175 -5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.673 0.013 -8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.529 -0.392 -6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.134 -0.518 -7.700 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.032 -2.070 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.664 -2.323 -6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.564 -3.873 -4.476 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.862 -3.977 -5.290 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.113 2.627 -5.316 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.910 3.438 -5.249 1.00 0.00 C ATOM 1500 C ARG A 101 -0.761 2.634 -4.639 1.00 0.00 C ATOM 1501 O ARG A 101 -0.792 2.300 -3.455 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.142 4.698 -4.413 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.388 5.893 -5.001 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.167 7.192 -4.787 1.00 0.00 C ATOM 1505 NE ARG A 101 -1.306 8.355 -5.099 1.00 0.00 N ATOM 1506 CZ ARG A 101 -1.657 9.630 -4.879 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -2.853 9.913 -4.344 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -0.812 10.621 -5.193 1.00 0.00 N ATOM 0 H ARG A 101 -3.596 2.506 -4.426 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.651 3.733 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.208 4.921 -4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.813 4.525 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.406 5.973 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.223 5.735 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.053 7.204 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.514 7.252 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.389 8.175 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.496 9.158 -4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.120 10.883 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.098 10.405 -5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.079 11.591 -5.026 1.00 0.00 H new ATOM 1522 N ILE A 102 0.226 2.345 -5.474 1.00 0.00 N ATOM 1523 CA ILE A 102 1.384 1.586 -5.031 1.00 0.00 C ATOM 1524 C ILE A 102 2.525 2.550 -4.702 1.00 0.00 C ATOM 1525 O ILE A 102 2.758 3.514 -5.430 1.00 0.00 O ATOM 1526 CB ILE A 102 1.756 0.524 -6.068 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.674 -0.555 -6.160 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.134 -0.071 -5.773 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.659 -1.199 -7.548 1.00 0.00 C ATOM 0 H ILE A 102 0.248 2.623 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 102 1.154 1.040 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 102 1.815 1.006 -7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.851 -1.319 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.301 -0.116 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.374 -0.823 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.884 0.719 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.127 -0.534 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.118 -1.962 -7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.457 -0.437 -8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.628 -1.658 -7.747 1.00 0.00 H new ATOM 1541 N THR A 103 3.207 2.256 -3.605 1.00 0.00 N ATOM 1542 CA THR A 103 4.318 3.085 -3.170 1.00 0.00 C ATOM 1543 C THR A 103 5.369 2.235 -2.453 1.00 0.00 C ATOM 1544 O THR A 103 5.061 1.155 -1.951 1.00 0.00 O ATOM 1545 CB THR A 103 3.756 4.214 -2.304 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.649 4.707 -3.054 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.706 5.410 -2.213 1.00 0.00 C ATOM 0 H THR A 103 3.012 1.455 -3.004 1.00 0.00 H new ATOM 0 HA THR A 103 4.833 3.534 -4.020 1.00 0.00 H new ATOM 0 HB THR A 103 3.551 3.836 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.130 5.328 -2.501 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.259 6.183 -1.587 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.652 5.091 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.884 5.810 -3.211 1.00 0.00 H new ATOM 1555 N ALA A 104 6.587 2.755 -2.426 1.00 0.00 N ATOM 1556 CA ALA A 104 7.685 2.057 -1.778 1.00 0.00 C ATOM 1557 C ALA A 104 8.117 2.838 -0.535 1.00 0.00 C ATOM 1558 O ALA A 104 7.858 4.036 -0.429 1.00 0.00 O ATOM 1559 CB ALA A 104 8.830 1.869 -2.775 1.00 0.00 C ATOM 0 H ALA A 104 6.838 3.652 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 104 7.370 1.066 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.653 1.346 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.480 1.284 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.174 2.843 -3.122 1.00 0.00 H new ATOM 1565 N GLN A 105 8.767 2.127 0.374 1.00 0.00 N ATOM 1566 CA GLN A 105 9.237 2.738 1.606 1.00 0.00 C ATOM 1567 C GLN A 105 10.751 2.559 1.743 1.00 0.00 C ATOM 1568 O GLN A 105 11.250 1.435 1.728 1.00 0.00 O ATOM 1569 CB GLN A 105 8.505 2.161 2.819 1.00 0.00 C ATOM 1570 CG GLN A 105 9.030 2.773 4.119 1.00 0.00 C ATOM 1571 CD GLN A 105 8.687 1.889 5.319 1.00 0.00 C ATOM 1572 OE1 GLN A 105 8.818 0.676 5.287 1.00 0.00 O ATOM 1573 NE2 GLN A 105 8.242 2.561 6.377 1.00 0.00 N ATOM 0 H GLN A 105 8.979 1.134 0.282 1.00 0.00 H new ATOM 0 HA GLN A 105 9.019 3.805 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.436 2.353 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.633 1.079 2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 105 10.111 2.901 4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.599 3.764 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.156 3.577 6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.987 2.061 7.228 1.00 0.00 H new ATOM 1582 N THR A 106 11.438 3.684 1.874 1.00 0.00 N ATOM 1583 CA THR A 106 12.884 3.666 2.014 1.00 0.00 C ATOM 1584 C THR A 106 13.305 4.384 3.297 1.00 0.00 C ATOM 1585 O THR A 106 12.469 4.682 4.149 1.00 0.00 O ATOM 1586 CB THR A 106 13.489 4.277 0.749 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.653 5.396 0.469 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.324 3.374 -0.475 1.00 0.00 C ATOM 0 H THR A 106 11.020 4.614 1.886 1.00 0.00 H new ATOM 0 HA THR A 106 13.259 2.647 2.112 1.00 0.00 H new ATOM 0 HB THR A 106 14.548 4.475 0.914 1.00 0.00 H new ATOM 0 HG1 THR A 106 13.147 6.225 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.771 3.855 -1.345 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.820 2.420 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.264 3.202 -0.660 1.00 0.00 H new ATOM 1596 N ARG A 107 14.601 4.642 3.395 1.00 0.00 N ATOM 1597 CA ARG A 107 15.143 5.320 4.561 1.00 0.00 C ATOM 1598 C ARG A 107 14.756 6.800 4.541 1.00 0.00 C ATOM 1599 O ARG A 107 14.827 7.477 5.566 1.00 0.00 O ATOM 1600 CB ARG A 107 16.668 5.199 4.609 1.00 0.00 C ATOM 1601 CG ARG A 107 17.313 5.934 3.433 1.00 0.00 C ATOM 1602 CD ARG A 107 18.835 5.777 3.457 1.00 0.00 C ATOM 1603 NE ARG A 107 19.451 6.921 4.167 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.758 7.211 4.132 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.596 6.443 3.423 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.228 8.269 4.807 1.00 0.00 N ATOM 0 H ARG A 107 15.291 4.394 2.686 1.00 0.00 H new ATOM 0 HA ARG A 107 14.724 4.843 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.040 5.610 5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.954 4.147 4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.918 5.544 2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.052 6.992 3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.105 4.844 3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.219 5.721 2.438 1.00 0.00 H new ATOM 0 HE ARG A 107 18.842 7.526 4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.239 5.637 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.591 6.664 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.590 8.853 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.223 8.490 4.780 1.00 0.00 H new ATOM 1620 N LYS A 108 14.356 7.259 3.364 1.00 0.00 N ATOM 1621 CA LYS A 108 13.958 8.646 3.198 1.00 0.00 C ATOM 1622 C LYS A 108 12.472 8.790 3.534 1.00 0.00 C ATOM 1623 O LYS A 108 12.074 9.736 4.211 1.00 0.00 O ATOM 1624 CB LYS A 108 14.323 9.145 1.798 1.00 0.00 C ATOM 1625 CG LYS A 108 15.749 8.733 1.425 1.00 0.00 C ATOM 1626 CD LYS A 108 16.755 9.239 2.461 1.00 0.00 C ATOM 1627 CE LYS A 108 16.853 10.765 2.431 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.600 11.213 1.235 1.00 0.00 N ATOM 0 H LYS A 108 14.299 6.695 2.516 1.00 0.00 H new ATOM 0 HA LYS A 108 14.505 9.284 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.621 8.740 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.232 10.231 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.811 7.647 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 108 16.001 9.132 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.454 8.910 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.735 8.804 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.853 11.199 2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 108 17.351 11.121 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.805 12.230 1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.493 10.684 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.028 11.040 0.384 1.00 0.00 H new ATOM 1642 N GLY A 109 11.693 7.837 3.045 1.00 0.00 N ATOM 1643 CA GLY A 109 10.260 7.845 3.284 1.00 0.00 C ATOM 1644 C GLY A 109 9.511 7.132 2.157 1.00 0.00 C ATOM 1645 O GLY A 109 9.917 6.055 1.721 1.00 0.00 O ATOM 0 H GLY A 109 12.027 7.053 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.044 7.357 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.907 8.873 3.366 1.00 0.00 H new ATOM 1649 N TRP A 110 8.432 7.761 1.716 1.00 0.00 N ATOM 1650 CA TRP A 110 7.623 7.200 0.647 1.00 0.00 C ATOM 1651 C TRP A 110 7.775 8.097 -0.583 1.00 0.00 C ATOM 1652 O TRP A 110 7.400 9.268 -0.552 1.00 0.00 O ATOM 1653 CB TRP A 110 6.167 7.035 1.090 1.00 0.00 C ATOM 1654 CG TRP A 110 5.976 6.053 2.248 1.00 0.00 C ATOM 1655 CD1 TRP A 110 6.044 6.305 3.562 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.682 4.645 2.141 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.816 5.167 4.308 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.588 4.125 3.416 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.500 3.836 1.005 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.311 2.777 3.676 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.224 2.492 1.282 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.126 1.953 2.560 1.00 0.00 C ATOM 0 H TRP A 110 8.099 8.654 2.079 1.00 0.00 H new ATOM 0 HA TRP A 110 7.965 6.197 0.391 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.775 8.009 1.384 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.575 6.697 0.239 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.251 7.277 3.984 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.815 5.102 5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.568 4.221 -0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.244 2.394 4.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.077 1.827 0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.908 0.903 2.691 1.00 0.00 H new ATOM 1673 N GLY A 111 8.327 7.514 -1.636 1.00 0.00 N ATOM 1674 CA GLY A 111 8.535 8.246 -2.874 1.00 0.00 C ATOM 1675 C GLY A 111 7.242 8.320 -3.690 1.00 0.00 C ATOM 1676 O GLY A 111 6.148 8.286 -3.131 1.00 0.00 O ATOM 0 H GLY A 111 8.637 6.542 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.887 9.253 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.313 7.760 -3.462 1.00 0.00 H new ATOM 1680 N GLU A 112 7.413 8.419 -5.001 1.00 0.00 N ATOM 1681 CA GLU A 112 6.274 8.498 -5.899 1.00 0.00 C ATOM 1682 C GLU A 112 5.334 7.312 -5.671 1.00 0.00 C ATOM 1683 O GLU A 112 5.720 6.319 -5.055 1.00 0.00 O ATOM 1684 CB GLU A 112 6.730 8.563 -7.358 1.00 0.00 C ATOM 1685 CG GLU A 112 6.263 9.861 -8.021 1.00 0.00 C ATOM 1686 CD GLU A 112 7.417 10.859 -8.144 1.00 0.00 C ATOM 1687 OE1 GLU A 112 8.538 10.397 -8.445 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.151 12.062 -7.933 1.00 0.00 O ATOM 0 H GLU A 112 8.323 8.446 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 112 5.728 9.416 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.817 8.496 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.333 7.708 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.858 9.644 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.456 10.303 -7.436 1.00 0.00 H new ATOM 1695 N ALA A 113 4.119 7.454 -6.180 1.00 0.00 N ATOM 1696 CA ALA A 113 3.122 6.407 -6.040 1.00 0.00 C ATOM 1697 C ALA A 113 2.422 6.192 -7.383 1.00 0.00 C ATOM 1698 O ALA A 113 2.058 7.153 -8.058 1.00 0.00 O ATOM 1699 CB ALA A 113 2.143 6.780 -4.925 1.00 0.00 C ATOM 0 H ALA A 113 3.803 8.279 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 113 3.592 5.465 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.395 5.994 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.686 6.892 -3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.650 7.720 -5.173 1.00 0.00 H new ATOM 1705 N ALA A 114 2.254 4.924 -7.730 1.00 0.00 N ATOM 1706 CA ALA A 114 1.603 4.571 -8.981 1.00 0.00 C ATOM 1707 C ALA A 114 0.117 4.315 -8.723 1.00 0.00 C ATOM 1708 O ALA A 114 -0.238 3.456 -7.917 1.00 0.00 O ATOM 1709 CB ALA A 114 2.306 3.359 -9.597 1.00 0.00 C ATOM 0 H ALA A 114 2.557 4.129 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 114 1.676 5.390 -9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.819 3.094 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.351 3.603 -9.787 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.250 2.516 -8.908 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.712 5.076 -9.422 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.152 4.942 -9.279 1.00 0.00 C ATOM 1717 C GLU A 115 -2.723 4.103 -10.423 1.00 0.00 C ATOM 1718 O GLU A 115 -2.521 4.423 -11.594 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.826 6.314 -9.216 1.00 0.00 C ATOM 1720 CG GLU A 115 -2.889 6.829 -7.776 1.00 0.00 C ATOM 1721 CD GLU A 115 -3.757 8.085 -7.680 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.696 8.189 -8.499 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -3.463 8.911 -6.790 1.00 0.00 O ATOM 0 H GLU A 115 -0.414 5.788 -10.089 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.358 4.428 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.276 7.022 -9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.834 6.247 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.293 6.053 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.883 7.050 -7.421 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.424 3.044 -10.045 1.00 0.00 N ATOM 1731 CA ALA A 116 -4.026 2.156 -11.025 1.00 0.00 C ATOM 1732 C ALA A 116 -5.466 1.847 -10.610 1.00 0.00 C ATOM 1733 O ALA A 116 -5.705 1.335 -9.518 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.174 0.892 -11.160 1.00 0.00 C ATOM 0 H ALA A 116 -3.589 2.781 -9.073 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.060 2.632 -12.005 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.625 0.226 -11.895 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.169 1.163 -11.485 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.119 0.385 -10.196 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.388 2.171 -11.505 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.798 1.934 -11.246 1.00 0.00 C ATOM 1742 C LEU A 117 -8.184 0.551 -11.774 1.00 0.00 C ATOM 1743 O LEU A 117 -7.668 0.108 -12.798 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.647 3.071 -11.819 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.660 4.371 -11.013 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.604 5.589 -11.937 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.864 4.420 -10.071 1.00 0.00 C ATOM 0 H LEU A 117 -6.186 2.596 -12.410 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.993 1.932 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.289 3.294 -12.824 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.673 2.717 -11.917 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.765 4.397 -10.392 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.614 6.500 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.690 5.554 -12.530 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.468 5.581 -12.602 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.849 5.354 -9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.784 4.361 -10.653 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.818 3.580 -9.378 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.089 -0.092 -11.051 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.551 -1.415 -11.434 1.00 0.00 C ATOM 1761 C VAL A 118 -11.006 -1.590 -10.995 1.00 0.00 C ATOM 1762 O VAL A 118 -11.333 -1.393 -9.826 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.619 -2.482 -10.855 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.558 -2.386 -9.329 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.046 -3.882 -11.300 1.00 0.00 C ATOM 0 H VAL A 118 -9.515 0.279 -10.202 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.523 -1.531 -12.517 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.617 -2.299 -11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.889 -3.155 -8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.186 -1.403 -9.041 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.556 -2.532 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.367 -4.622 -10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.061 -4.080 -10.955 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.014 -3.943 -12.388 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.840 -1.959 -11.956 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.253 -2.163 -11.684 1.00 0.00 C ATOM 1777 C VAL A 119 -13.470 -3.592 -11.183 1.00 0.00 C ATOM 1778 O VAL A 119 -12.732 -4.503 -11.555 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.079 -1.833 -12.928 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.427 -2.556 -12.899 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.270 -0.322 -13.076 1.00 0.00 C ATOM 0 H VAL A 119 -11.564 -2.122 -12.924 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.592 -1.488 -10.898 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.528 -2.187 -13.799 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.994 -2.304 -13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.262 -3.633 -12.865 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.987 -2.247 -12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.861 -0.116 -13.969 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.789 0.067 -12.200 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.297 0.161 -13.165 1.00 0.00 H new ATOM 1791 N THR A 120 -14.486 -3.744 -10.346 1.00 0.00 N ATOM 1792 CA THR A 120 -14.810 -5.047 -9.791 1.00 0.00 C ATOM 1793 C THR A 120 -15.971 -5.681 -10.560 1.00 0.00 C ATOM 1794 O THR A 120 -17.099 -5.196 -10.500 1.00 0.00 O ATOM 1795 CB THR A 120 -15.096 -4.867 -8.299 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.881 -3.679 -8.237 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.838 -4.524 -7.498 1.00 0.00 C ATOM 0 H THR A 120 -15.096 -2.986 -10.039 1.00 0.00 H new ATOM 0 HA THR A 120 -13.975 -5.740 -9.896 1.00 0.00 H new ATOM 0 HB THR A 120 -15.541 -5.780 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.213 -3.554 -7.324 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.097 -4.407 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.108 -5.327 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.411 -3.593 -7.872 1.00 0.00 H new ATOM 1805 N THR A 121 -15.653 -6.757 -11.266 1.00 0.00 N ATOM 1806 CA THR A 121 -16.656 -7.463 -12.046 1.00 0.00 C ATOM 1807 C THR A 121 -16.044 -8.701 -12.704 1.00 0.00 C ATOM 1808 O THR A 121 -14.830 -8.892 -12.668 1.00 0.00 O ATOM 1809 CB THR A 121 -17.256 -6.475 -13.049 1.00 0.00 C ATOM 1810 OG1 THR A 121 -18.084 -7.285 -13.879 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.208 -5.906 -14.008 1.00 0.00 C ATOM 0 H THR A 121 -14.716 -7.157 -11.314 1.00 0.00 H new ATOM 0 HA THR A 121 -17.462 -7.835 -11.413 1.00 0.00 H new ATOM 0 HB THR A 121 -17.737 -5.658 -12.512 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.515 -6.725 -14.558 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.686 -5.211 -14.698 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.440 -5.382 -13.439 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.750 -6.719 -14.571 1.00 0.00 H new