USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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 30 ASN : amide:sc= 0.0851 K(o=-0.062,f=-2.1!) USER MOD Set 1.2: A 76 SER OG : rot -120:sc= -0.147 USER MOD Single : A 34 TYR OH : rot 59:sc= 0.94 USER MOD Single : A 35 HIS : no HE2:sc= -0.381 K(o=-0.38,f=-4.5!) USER MOD Single : A 38 GLN : amide:sc= 0.546 K(o=0.55,f=-5.7!) USER MOD Single : A 43 GLN : amide:sc= -0.255 K(o=-0.25,f=-1.9) USER MOD Single : A 47 GLN : amide:sc= -0.0748 K(o=-0.075,f=-1.3) USER MOD Single : A 48 MET CE :methyl 164:sc= -0.0186 (180deg=-0.292) USER MOD Single : A 50 MET CE :methyl -177:sc= -0.0749 (180deg=-0.105) USER MOD Single : A 54 ASN : amide:sc= 0.658 K(o=0.66,f=-0.55) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0354 F(o=-0.69,f=-0.035) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 69 SER OG : rot 180:sc= 0.272 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -153:sc= 0.682 USER MOD Single : A 79 ASN : amide:sc= 0.155 X(o=0.16,f=-0.00097) USER MOD Single : A 82 SER OG : rot -93:sc= 1.19 USER MOD Single : A 84 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.75) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 90 MET CE :methyl -172:sc= -0.649 (180deg=-0.939) USER MOD Single : A 91 ASN : amide:sc=-0.00298 K(o=-0.003,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 97 MET CE :methyl -166:sc= -0.0101 (180deg=-0.256) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0449) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 0.861 (180deg=0.806) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.585 9.931 -28.912 1.00 0.00 N ATOM 345 CA GLU A 24 11.186 9.908 -29.312 1.00 0.00 C ATOM 346 C GLU A 24 10.909 10.957 -30.387 1.00 0.00 C ATOM 347 O GLU A 24 11.593 11.976 -30.468 1.00 0.00 O ATOM 348 CB GLU A 24 10.286 10.169 -28.105 1.00 0.00 C ATOM 349 CG GLU A 24 10.459 9.090 -27.035 1.00 0.00 C ATOM 350 CD GLU A 24 9.337 9.138 -26.002 1.00 0.00 C ATOM 351 OE1 GLU A 24 9.260 8.185 -25.198 1.00 0.00 O ATOM 352 OE2 GLU A 24 8.556 10.115 -26.014 1.00 0.00 O ATOM 0 HA GLU A 24 10.970 8.921 -29.720 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.519 11.145 -27.680 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.245 10.201 -28.426 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.477 8.108 -27.508 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.419 9.222 -26.536 1.00 0.00 H new ATOM 359 N GLY A 25 9.893 10.691 -31.209 1.00 0.00 N ATOM 360 CA GLY A 25 9.456 11.590 -32.264 1.00 0.00 C ATOM 361 C GLY A 25 8.251 12.422 -31.830 1.00 0.00 C ATOM 362 O GLY A 25 7.931 12.483 -30.642 1.00 0.00 O ATOM 0 H GLY A 25 9.346 9.831 -31.155 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.276 12.253 -32.541 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.199 11.012 -33.152 1.00 0.00 H new ATOM 366 N PRO A 26 7.576 13.067 -32.789 1.00 0.00 N ATOM 367 CA PRO A 26 6.371 13.847 -32.555 1.00 0.00 C ATOM 368 C PRO A 26 5.202 12.928 -32.198 1.00 0.00 C ATOM 369 O PRO A 26 5.336 11.706 -32.185 1.00 0.00 O ATOM 370 CB PRO A 26 6.120 14.585 -33.871 1.00 0.00 C ATOM 371 CG PRO A 26 6.700 13.632 -34.914 1.00 0.00 C ATOM 372 CD PRO A 26 7.929 13.074 -34.198 1.00 0.00 C ATOM 0 HA PRO A 26 6.477 14.540 -31.721 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.058 14.766 -34.036 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.616 15.555 -33.891 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.995 12.846 -35.183 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.966 14.151 -35.835 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.168 12.070 -34.549 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.807 13.693 -34.381 1.00 0.00 H new ATOM 380 N GLU A 27 4.037 13.514 -31.905 1.00 0.00 N ATOM 381 CA GLU A 27 2.853 12.742 -31.566 1.00 0.00 C ATOM 382 C GLU A 27 2.453 11.825 -32.720 1.00 0.00 C ATOM 383 O GLU A 27 2.474 12.231 -33.882 1.00 0.00 O ATOM 384 CB GLU A 27 1.720 13.698 -31.177 1.00 0.00 C ATOM 385 CG GLU A 27 0.377 12.990 -30.969 1.00 0.00 C ATOM 386 CD GLU A 27 0.369 12.021 -29.784 1.00 0.00 C ATOM 387 OE1 GLU A 27 -0.702 11.420 -29.547 1.00 0.00 O ATOM 388 OE2 GLU A 27 1.421 11.881 -29.118 1.00 0.00 O ATOM 0 H GLU A 27 3.896 14.524 -31.898 1.00 0.00 H new ATOM 0 HA GLU A 27 3.070 12.099 -30.713 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.993 14.221 -30.261 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.608 14.454 -31.954 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.400 13.740 -30.819 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.121 12.443 -31.876 1.00 0.00 H new ATOM 395 N GLY A 28 2.086 10.580 -32.390 1.00 0.00 N ATOM 396 CA GLY A 28 1.636 9.600 -33.366 1.00 0.00 C ATOM 397 C GLY A 28 2.797 8.884 -34.062 1.00 0.00 C ATOM 398 O GLY A 28 2.561 7.985 -34.868 1.00 0.00 O ATOM 0 H GLY A 28 2.096 10.230 -31.432 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.005 8.863 -32.870 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.019 10.096 -34.115 1.00 0.00 H new ATOM 402 N ALA A 29 4.039 9.277 -33.761 1.00 0.00 N ATOM 403 CA ALA A 29 5.214 8.726 -34.418 1.00 0.00 C ATOM 404 C ALA A 29 5.914 7.652 -33.576 1.00 0.00 C ATOM 405 O ALA A 29 6.922 7.095 -34.011 1.00 0.00 O ATOM 406 CB ALA A 29 6.173 9.867 -34.752 1.00 0.00 C ATOM 0 H ALA A 29 4.251 9.984 -33.057 1.00 0.00 H new ATOM 0 HA ALA A 29 4.891 8.228 -35.332 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.058 9.466 -35.245 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.678 10.576 -35.416 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.468 10.375 -33.834 1.00 0.00 H new ATOM 412 N ASN A 30 5.399 7.352 -32.379 1.00 0.00 N ATOM 413 CA ASN A 30 6.011 6.380 -31.481 1.00 0.00 C ATOM 414 C ASN A 30 5.247 5.060 -31.529 1.00 0.00 C ATOM 415 O ASN A 30 4.017 5.063 -31.512 1.00 0.00 O ATOM 416 CB ASN A 30 6.034 6.942 -30.059 1.00 0.00 C ATOM 417 CG ASN A 30 6.769 8.278 -29.999 1.00 0.00 C ATOM 418 OD1 ASN A 30 7.978 8.334 -30.199 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.049 9.361 -29.721 1.00 0.00 N ATOM 0 H ASN A 30 4.548 7.777 -32.011 1.00 0.00 H new ATOM 0 HA ASN A 30 7.035 6.189 -31.801 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.013 7.071 -29.701 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.518 6.229 -29.392 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.501 10.274 -29.669 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.045 9.279 -29.560 1.00 0.00 H new ATOM 426 N LEU A 31 5.966 3.932 -31.585 1.00 0.00 N ATOM 427 CA LEU A 31 5.357 2.615 -31.724 1.00 0.00 C ATOM 428 C LEU A 31 5.762 1.649 -30.619 1.00 0.00 C ATOM 429 O LEU A 31 6.823 1.765 -30.013 1.00 0.00 O ATOM 430 CB LEU A 31 5.745 1.980 -33.062 1.00 0.00 C ATOM 431 CG LEU A 31 5.346 2.787 -34.293 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.647 1.939 -35.525 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.855 3.114 -34.291 1.00 0.00 C ATOM 0 H LEU A 31 6.985 3.913 -31.535 1.00 0.00 H new ATOM 0 HA LEU A 31 4.282 2.782 -31.663 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.825 1.830 -33.077 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.285 0.994 -33.127 1.00 0.00 H new ATOM 0 HG LEU A 31 5.903 3.724 -34.294 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.371 2.491 -36.423 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.711 1.706 -35.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.074 1.013 -35.478 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.608 3.690 -35.183 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.280 2.188 -34.285 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.612 3.698 -33.403 1.00 0.00 H new ATOM 445 N PHE A 32 4.879 0.679 -30.389 1.00 0.00 N ATOM 446 CA PHE A 32 5.080 -0.466 -29.525 1.00 0.00 C ATOM 447 C PHE A 32 5.064 -1.799 -30.252 1.00 0.00 C ATOM 448 O PHE A 32 4.328 -1.959 -31.220 1.00 0.00 O ATOM 449 CB PHE A 32 4.136 -0.465 -28.327 1.00 0.00 C ATOM 450 CG PHE A 32 4.614 0.364 -27.167 1.00 0.00 C ATOM 451 CD1 PHE A 32 5.016 -0.278 -25.989 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.660 1.758 -27.262 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.466 0.475 -24.898 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.123 2.513 -26.176 1.00 0.00 C ATOM 455 CZ PHE A 32 5.521 1.872 -24.993 1.00 0.00 C ATOM 0 H PHE A 32 3.958 0.677 -30.827 1.00 0.00 H new ATOM 0 HA PHE A 32 6.094 -0.352 -29.142 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.162 -0.095 -28.647 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.992 -1.492 -27.991 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.979 -1.355 -25.922 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.340 2.251 -28.168 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.770 -0.019 -23.987 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.174 3.589 -26.250 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.870 2.456 -24.154 1.00 0.00 H new ATOM 465 N ILE A 33 5.869 -2.750 -29.783 1.00 0.00 N ATOM 466 CA ILE A 33 5.960 -4.068 -30.381 1.00 0.00 C ATOM 467 C ILE A 33 5.972 -5.098 -29.257 1.00 0.00 C ATOM 468 O ILE A 33 6.643 -4.893 -28.252 1.00 0.00 O ATOM 469 CB ILE A 33 7.217 -4.173 -31.260 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.364 -3.012 -32.256 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.172 -5.482 -32.046 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.084 -1.795 -31.667 1.00 0.00 C ATOM 0 H ILE A 33 6.477 -2.621 -28.974 1.00 0.00 H new ATOM 0 HA ILE A 33 5.104 -4.253 -31.030 1.00 0.00 H new ATOM 0 HB ILE A 33 8.073 -4.135 -30.587 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.912 -3.361 -33.131 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.375 -2.709 -32.599 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.061 -5.562 -32.671 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.140 -6.322 -31.352 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.283 -5.498 -32.676 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.154 -1.013 -32.423 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.525 -1.422 -30.809 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.086 -2.083 -31.350 1.00 0.00 H new ATOM 484 N TYR A 34 5.240 -6.204 -29.419 1.00 0.00 N ATOM 485 CA TYR A 34 5.169 -7.235 -28.392 1.00 0.00 C ATOM 486 C TYR A 34 5.159 -8.585 -29.109 1.00 0.00 C ATOM 487 O TYR A 34 5.137 -8.657 -30.338 1.00 0.00 O ATOM 488 CB TYR A 34 3.867 -7.075 -27.601 1.00 0.00 C ATOM 489 CG TYR A 34 3.466 -5.661 -27.238 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.920 -5.077 -26.042 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.629 -4.932 -28.094 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.511 -3.779 -25.688 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.206 -3.641 -27.742 1.00 0.00 C ATOM 494 CZ TYR A 34 2.635 -3.066 -26.529 1.00 0.00 C ATOM 495 OH TYR A 34 2.201 -1.824 -26.178 1.00 0.00 O ATOM 0 H TYR A 34 4.689 -6.404 -30.254 1.00 0.00 H new ATOM 0 HA TYR A 34 6.012 -7.161 -27.705 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.059 -7.521 -28.181 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.954 -7.652 -26.680 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.585 -5.627 -25.393 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.308 -5.366 -29.029 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.868 -3.330 -24.773 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.552 -3.088 -28.400 1.00 0.00 H new ATOM 0 HH TYR A 34 2.971 -1.228 -26.064 1.00 0.00 H new ATOM 505 N HIS A 35 5.173 -9.653 -28.308 1.00 0.00 N ATOM 506 CA HIS A 35 5.183 -11.042 -28.758 1.00 0.00 C ATOM 507 C HIS A 35 6.474 -11.414 -29.496 1.00 0.00 C ATOM 508 O HIS A 35 6.518 -12.431 -30.187 1.00 0.00 O ATOM 509 CB HIS A 35 3.935 -11.373 -29.585 1.00 0.00 C ATOM 510 CG HIS A 35 2.612 -10.946 -29.001 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.384 -11.104 -29.618 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.391 -10.342 -27.793 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.438 -10.605 -28.804 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.032 -10.130 -27.692 1.00 0.00 N ATOM 0 H HIS A 35 5.178 -9.568 -27.292 1.00 0.00 H new ATOM 0 HA HIS A 35 5.156 -11.662 -27.862 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.042 -10.909 -30.565 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.906 -12.451 -29.744 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.224 -11.526 -30.533 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.139 -10.081 -27.059 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.622 -10.588 -29.008 1.00 0.00 H new ATOM 523 N LEU A 36 7.520 -10.601 -29.359 1.00 0.00 N ATOM 524 CA LEU A 36 8.802 -10.853 -30.002 1.00 0.00 C ATOM 525 C LEU A 36 9.457 -12.097 -29.398 1.00 0.00 C ATOM 526 O LEU A 36 9.299 -12.355 -28.205 1.00 0.00 O ATOM 527 CB LEU A 36 9.726 -9.649 -29.806 1.00 0.00 C ATOM 528 CG LEU A 36 9.201 -8.382 -30.495 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.062 -7.196 -30.074 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.280 -8.528 -32.010 1.00 0.00 C ATOM 0 H LEU A 36 7.499 -9.749 -28.798 1.00 0.00 H new ATOM 0 HA LEU A 36 8.635 -11.015 -31.067 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.843 -9.456 -28.740 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.715 -9.887 -30.197 1.00 0.00 H new ATOM 0 HG LEU A 36 8.162 -8.226 -30.203 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.696 -6.291 -30.559 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.010 -7.075 -28.992 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.096 -7.374 -30.370 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.904 -7.621 -32.483 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.316 -8.689 -32.306 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.676 -9.379 -32.326 1.00 0.00 H new ATOM 542 N PRO A 37 10.195 -12.877 -30.197 1.00 0.00 N ATOM 543 CA PRO A 37 10.959 -14.014 -29.717 1.00 0.00 C ATOM 544 C PRO A 37 12.187 -13.526 -28.946 1.00 0.00 C ATOM 545 O PRO A 37 12.520 -12.343 -28.973 1.00 0.00 O ATOM 546 CB PRO A 37 11.342 -14.793 -30.973 1.00 0.00 C ATOM 547 CG PRO A 37 11.465 -13.693 -32.022 1.00 0.00 C ATOM 548 CD PRO A 37 10.355 -12.717 -31.633 1.00 0.00 C ATOM 0 HA PRO A 37 10.398 -14.644 -29.026 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.278 -15.336 -30.843 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.582 -15.527 -31.242 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.446 -13.219 -31.996 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.325 -14.081 -33.031 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.624 -11.692 -31.888 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.428 -12.943 -32.160 1.00 0.00 H new ATOM 556 N GLN A 38 12.862 -14.447 -28.257 1.00 0.00 N ATOM 557 CA GLN A 38 13.987 -14.119 -27.388 1.00 0.00 C ATOM 558 C GLN A 38 15.209 -13.637 -28.179 1.00 0.00 C ATOM 559 O GLN A 38 16.097 -12.996 -27.619 1.00 0.00 O ATOM 560 CB GLN A 38 14.312 -15.369 -26.559 1.00 0.00 C ATOM 561 CG GLN A 38 15.513 -15.192 -25.621 1.00 0.00 C ATOM 562 CD GLN A 38 15.299 -14.093 -24.590 1.00 0.00 C ATOM 563 OE1 GLN A 38 16.217 -13.330 -24.295 1.00 0.00 O ATOM 564 NE2 GLN A 38 14.096 -13.991 -24.028 1.00 0.00 N ATOM 0 H GLN A 38 12.642 -15.442 -28.288 1.00 0.00 H new ATOM 0 HA GLN A 38 13.715 -13.290 -26.735 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.437 -15.639 -25.968 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.510 -16.201 -27.235 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.709 -16.133 -25.107 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.399 -14.962 -26.212 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.353 -14.638 -24.292 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.917 -13.266 -23.333 1.00 0.00 H new ATOM 573 N GLU A 39 15.267 -13.937 -29.480 1.00 0.00 N ATOM 574 CA GLU A 39 16.422 -13.613 -30.310 1.00 0.00 C ATOM 575 C GLU A 39 16.466 -12.139 -30.725 1.00 0.00 C ATOM 576 O GLU A 39 17.483 -11.690 -31.255 1.00 0.00 O ATOM 577 CB GLU A 39 16.436 -14.536 -31.532 1.00 0.00 C ATOM 578 CG GLU A 39 15.174 -14.378 -32.383 1.00 0.00 C ATOM 579 CD GLU A 39 15.160 -15.343 -33.572 1.00 0.00 C ATOM 580 OE1 GLU A 39 14.129 -15.356 -34.282 1.00 0.00 O ATOM 581 OE2 GLU A 39 16.170 -16.053 -33.770 1.00 0.00 O ATOM 0 H GLU A 39 14.515 -14.410 -29.982 1.00 0.00 H new ATOM 0 HA GLU A 39 17.320 -13.777 -29.715 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.314 -14.318 -32.141 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.525 -15.572 -31.203 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.295 -14.553 -31.763 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.108 -13.353 -32.747 1.00 0.00 H new ATOM 588 N PHE A 40 15.392 -11.379 -30.494 1.00 0.00 N ATOM 589 CA PHE A 40 15.380 -9.951 -30.800 1.00 0.00 C ATOM 590 C PHE A 40 16.256 -9.070 -29.908 1.00 0.00 C ATOM 591 O PHE A 40 16.591 -9.452 -28.785 1.00 0.00 O ATOM 592 CB PHE A 40 13.963 -9.388 -30.973 1.00 0.00 C ATOM 593 CG PHE A 40 13.343 -9.622 -32.338 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.347 -10.900 -32.916 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.755 -8.550 -33.034 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.768 -11.109 -34.174 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.169 -8.759 -34.292 1.00 0.00 C ATOM 598 CZ PHE A 40 12.181 -10.040 -34.861 1.00 0.00 C ATOM 0 H PHE A 40 14.521 -11.731 -30.096 1.00 0.00 H new ATOM 0 HA PHE A 40 15.870 -9.901 -31.773 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.317 -9.832 -30.216 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.988 -8.315 -30.781 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.799 -11.727 -32.388 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.755 -7.562 -32.598 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.774 -12.095 -34.614 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.710 -7.936 -34.820 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.736 -10.203 -35.832 1.00 0.00 H new ATOM 608 N GLY A 41 16.620 -7.893 -30.414 1.00 0.00 N ATOM 609 CA GLY A 41 17.421 -6.924 -29.691 1.00 0.00 C ATOM 610 C GLY A 41 17.226 -5.526 -30.272 1.00 0.00 C ATOM 611 O GLY A 41 16.534 -5.371 -31.276 1.00 0.00 O ATOM 0 H GLY A 41 16.360 -7.587 -31.352 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.143 -6.928 -28.637 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.474 -7.202 -29.744 1.00 0.00 H new ATOM 615 N ASP A 42 17.830 -4.511 -29.650 1.00 0.00 N ATOM 616 CA ASP A 42 17.654 -3.124 -30.065 1.00 0.00 C ATOM 617 C ASP A 42 18.084 -2.955 -31.519 1.00 0.00 C ATOM 618 O ASP A 42 17.483 -2.184 -32.266 1.00 0.00 O ATOM 619 CB ASP A 42 18.542 -2.213 -29.207 1.00 0.00 C ATOM 620 CG ASP A 42 18.351 -2.383 -27.701 1.00 0.00 C ATOM 621 OD1 ASP A 42 19.193 -1.832 -26.956 1.00 0.00 O ATOM 622 OD2 ASP A 42 17.375 -3.054 -27.299 1.00 0.00 O ATOM 0 H ASP A 42 18.451 -4.630 -28.849 1.00 0.00 H new ATOM 0 HA ASP A 42 16.603 -2.860 -29.948 1.00 0.00 H new ATOM 0 HB2 ASP A 42 19.586 -2.407 -29.453 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.340 -1.175 -29.472 1.00 0.00 H new ATOM 627 N GLN A 43 19.125 -3.685 -31.923 1.00 0.00 N ATOM 628 CA GLN A 43 19.678 -3.598 -33.266 1.00 0.00 C ATOM 629 C GLN A 43 18.841 -4.400 -34.257 1.00 0.00 C ATOM 630 O GLN A 43 18.721 -4.026 -35.423 1.00 0.00 O ATOM 631 CB GLN A 43 21.112 -4.123 -33.229 1.00 0.00 C ATOM 632 CG GLN A 43 21.818 -3.973 -34.582 1.00 0.00 C ATOM 633 CD GLN A 43 22.067 -2.518 -34.966 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.795 -1.595 -34.198 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.589 -2.297 -36.170 1.00 0.00 N ATOM 0 H GLN A 43 19.606 -4.354 -31.322 1.00 0.00 H new ATOM 0 HA GLN A 43 19.667 -2.560 -33.598 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.675 -3.585 -32.466 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.105 -5.174 -32.939 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.770 -4.503 -34.549 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.215 -4.449 -35.355 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.804 -3.082 -36.785 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.774 -1.342 -36.478 1.00 0.00 H new ATOM 644 N ASP A 44 18.260 -5.509 -33.793 1.00 0.00 N ATOM 645 CA ASP A 44 17.440 -6.358 -34.641 1.00 0.00 C ATOM 646 C ASP A 44 16.059 -5.789 -34.940 1.00 0.00 C ATOM 647 O ASP A 44 15.566 -5.913 -36.060 1.00 0.00 O ATOM 648 CB ASP A 44 17.357 -7.778 -34.075 1.00 0.00 C ATOM 649 CG ASP A 44 18.661 -8.561 -34.236 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.671 -9.742 -33.823 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.636 -7.987 -34.770 1.00 0.00 O ATOM 0 H ASP A 44 18.347 -5.835 -32.831 1.00 0.00 H new ATOM 0 HA ASP A 44 17.946 -6.396 -35.606 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.098 -7.727 -33.017 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.552 -8.316 -34.575 1.00 0.00 H new ATOM 656 N ILE A 45 15.428 -5.159 -33.945 1.00 0.00 N ATOM 657 CA ILE A 45 14.134 -4.532 -34.150 1.00 0.00 C ATOM 658 C ILE A 45 14.333 -3.245 -34.944 1.00 0.00 C ATOM 659 O ILE A 45 13.417 -2.791 -35.626 1.00 0.00 O ATOM 660 CB ILE A 45 13.465 -4.274 -32.794 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.965 -4.048 -33.001 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.084 -3.070 -32.080 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.227 -3.963 -31.667 1.00 0.00 C ATOM 0 H ILE A 45 15.796 -5.074 -32.997 1.00 0.00 H new ATOM 0 HA ILE A 45 13.474 -5.187 -34.719 1.00 0.00 H new ATOM 0 HB ILE A 45 13.624 -5.148 -32.163 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.808 -3.129 -33.565 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.551 -4.862 -33.597 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.584 -2.918 -31.123 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.145 -3.254 -31.910 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.964 -2.180 -32.697 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.164 -3.802 -31.849 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.364 -4.893 -31.115 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.625 -3.133 -31.083 1.00 0.00 H new ATOM 675 N LEU A 46 15.530 -2.649 -34.869 1.00 0.00 N ATOM 676 CA LEU A 46 15.859 -1.478 -35.660 1.00 0.00 C ATOM 677 C LEU A 46 15.870 -1.845 -37.138 1.00 0.00 C ATOM 678 O LEU A 46 15.208 -1.195 -37.943 1.00 0.00 O ATOM 679 CB LEU A 46 17.223 -0.935 -35.219 1.00 0.00 C ATOM 680 CG LEU A 46 17.708 0.221 -36.095 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.833 1.461 -35.919 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.146 0.562 -35.719 1.00 0.00 C ATOM 0 H LEU A 46 16.284 -2.969 -34.262 1.00 0.00 H new ATOM 0 HA LEU A 46 15.109 -0.702 -35.506 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.159 -0.599 -34.184 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.957 -1.740 -35.248 1.00 0.00 H new ATOM 0 HG LEU A 46 17.649 -0.091 -37.138 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.206 2.263 -36.556 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.806 1.224 -36.198 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.862 1.782 -34.878 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.499 1.386 -36.340 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.188 0.854 -34.670 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.780 -0.310 -35.878 1.00 0.00 H new ATOM 694 N GLN A 47 16.614 -2.893 -37.502 1.00 0.00 N ATOM 695 CA GLN A 47 16.723 -3.334 -38.885 1.00 0.00 C ATOM 696 C GLN A 47 15.385 -3.842 -39.414 1.00 0.00 C ATOM 697 O GLN A 47 15.169 -3.865 -40.625 1.00 0.00 O ATOM 698 CB GLN A 47 17.785 -4.431 -38.974 1.00 0.00 C ATOM 699 CG GLN A 47 19.187 -3.857 -38.751 1.00 0.00 C ATOM 700 CD GLN A 47 19.734 -3.151 -39.986 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.076 -3.063 -41.019 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.959 -2.637 -39.889 1.00 0.00 N ATOM 0 H GLN A 47 17.154 -3.455 -36.844 1.00 0.00 H new ATOM 0 HA GLN A 47 17.015 -2.486 -39.504 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.581 -5.201 -38.230 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.736 -4.911 -39.951 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.160 -3.155 -37.918 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.865 -4.662 -38.467 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.482 -2.726 -39.018 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.374 -2.155 -40.686 1.00 0.00 H new ATOM 711 N MET A 48 14.484 -4.247 -38.515 1.00 0.00 N ATOM 712 CA MET A 48 13.157 -4.692 -38.895 1.00 0.00 C ATOM 713 C MET A 48 12.251 -3.495 -39.201 1.00 0.00 C ATOM 714 O MET A 48 11.309 -3.623 -39.980 1.00 0.00 O ATOM 715 CB MET A 48 12.585 -5.545 -37.758 1.00 0.00 C ATOM 716 CG MET A 48 11.179 -6.058 -38.079 1.00 0.00 C ATOM 717 SD MET A 48 11.101 -7.228 -39.461 1.00 0.00 S ATOM 718 CE MET A 48 11.968 -8.637 -38.721 1.00 0.00 C ATOM 0 H MET A 48 14.660 -4.273 -37.511 1.00 0.00 H new ATOM 0 HA MET A 48 13.213 -5.292 -39.803 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.246 -6.391 -37.572 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.556 -4.955 -36.842 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.770 -6.538 -37.190 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.538 -5.206 -38.305 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.771 -9.534 -39.308 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.040 -8.439 -38.709 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.615 -8.786 -37.701 1.00 0.00 H new ATOM 728 N PHE A 49 12.535 -2.337 -38.594 1.00 0.00 N ATOM 729 CA PHE A 49 11.732 -1.133 -38.748 1.00 0.00 C ATOM 730 C PHE A 49 12.291 -0.001 -39.618 1.00 0.00 C ATOM 731 O PHE A 49 11.563 0.933 -39.947 1.00 0.00 O ATOM 732 CB PHE A 49 11.184 -0.651 -37.402 1.00 0.00 C ATOM 733 CG PHE A 49 10.017 -1.455 -36.872 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.198 -2.778 -36.447 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.744 -0.870 -36.797 1.00 0.00 C ATOM 736 CE1 PHE A 49 9.113 -3.516 -35.955 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.658 -1.611 -36.310 1.00 0.00 C ATOM 738 CZ PHE A 49 7.839 -2.934 -35.888 1.00 0.00 C ATOM 0 H PHE A 49 13.338 -2.215 -37.977 1.00 0.00 H new ATOM 0 HA PHE A 49 10.901 -1.469 -39.369 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.989 -0.676 -36.667 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.876 0.390 -37.502 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.177 -3.231 -36.499 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.600 0.152 -37.115 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.258 -4.535 -35.627 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.678 -1.160 -36.260 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.001 -3.503 -35.513 1.00 0.00 H new ATOM 748 N MET A 50 13.571 -0.068 -39.997 1.00 0.00 N ATOM 749 CA MET A 50 14.174 0.963 -40.835 1.00 0.00 C ATOM 750 C MET A 50 13.627 1.047 -42.272 1.00 0.00 C ATOM 751 O MET A 50 13.622 2.149 -42.820 1.00 0.00 O ATOM 752 CB MET A 50 15.696 0.809 -40.877 1.00 0.00 C ATOM 753 CG MET A 50 16.343 1.349 -39.601 1.00 0.00 C ATOM 754 SD MET A 50 18.117 1.692 -39.750 1.00 0.00 S ATOM 755 CE MET A 50 18.719 0.016 -40.070 1.00 0.00 C ATOM 0 H MET A 50 14.204 -0.824 -39.736 1.00 0.00 H new ATOM 0 HA MET A 50 13.893 1.900 -40.354 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.954 -0.243 -41.002 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.094 1.340 -41.742 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.831 2.266 -39.308 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.191 0.628 -38.798 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.807 0.027 -40.137 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.412 -0.642 -39.257 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.302 -0.347 -41.009 1.00 0.00 H new ATOM 765 N PRO A 51 13.171 -0.036 -42.925 1.00 0.00 N ATOM 766 CA PRO A 51 12.674 0.072 -44.290 1.00 0.00 C ATOM 767 C PRO A 51 11.321 0.785 -44.346 1.00 0.00 C ATOM 768 O PRO A 51 10.847 1.108 -45.436 1.00 0.00 O ATOM 769 CB PRO A 51 12.564 -1.371 -44.790 1.00 0.00 C ATOM 770 CG PRO A 51 12.274 -2.156 -43.512 1.00 0.00 C ATOM 771 CD PRO A 51 13.103 -1.415 -42.467 1.00 0.00 C ATOM 0 HA PRO A 51 13.341 0.669 -44.912 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.766 -1.484 -45.523 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.485 -1.704 -45.268 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.212 -2.150 -43.265 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.574 -3.200 -43.601 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.639 -1.478 -41.483 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.099 -1.848 -42.379 1.00 0.00 H new ATOM 779 N PHE A 52 10.694 1.036 -43.194 1.00 0.00 N ATOM 780 CA PHE A 52 9.413 1.719 -43.129 1.00 0.00 C ATOM 781 C PHE A 52 9.571 3.239 -43.189 1.00 0.00 C ATOM 782 O PHE A 52 8.642 3.936 -43.589 1.00 0.00 O ATOM 783 CB PHE A 52 8.703 1.285 -41.848 1.00 0.00 C ATOM 784 CG PHE A 52 8.470 -0.208 -41.763 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.040 -0.929 -42.889 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.692 -0.884 -40.552 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.851 -2.315 -42.810 1.00 0.00 C ATOM 788 CE2 PHE A 52 8.499 -2.270 -40.473 1.00 0.00 C ATOM 789 CZ PHE A 52 8.080 -2.986 -41.600 1.00 0.00 C ATOM 0 H PHE A 52 11.066 0.768 -42.283 1.00 0.00 H new ATOM 0 HA PHE A 52 8.815 1.443 -43.997 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.294 1.602 -40.989 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.744 1.799 -41.782 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.854 -0.413 -43.819 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.012 -0.334 -39.679 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.529 -2.867 -43.681 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.674 -2.786 -39.541 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.933 -4.054 -41.538 1.00 0.00 H new ATOM 799 N GLY A 53 10.743 3.748 -42.794 1.00 0.00 N ATOM 800 CA GLY A 53 11.040 5.174 -42.800 1.00 0.00 C ATOM 801 C GLY A 53 12.185 5.497 -41.842 1.00 0.00 C ATOM 802 O GLY A 53 12.918 4.601 -41.426 1.00 0.00 O ATOM 0 H GLY A 53 11.515 3.172 -42.459 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.305 5.490 -43.809 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.151 5.736 -42.513 1.00 0.00 H new ATOM 806 N ASN A 54 12.349 6.771 -41.484 1.00 0.00 N ATOM 807 CA ASN A 54 13.469 7.191 -40.661 1.00 0.00 C ATOM 808 C ASN A 54 13.198 6.911 -39.186 1.00 0.00 C ATOM 809 O ASN A 54 12.453 7.637 -38.532 1.00 0.00 O ATOM 810 CB ASN A 54 13.744 8.675 -40.897 1.00 0.00 C ATOM 811 CG ASN A 54 14.808 9.203 -39.941 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.732 8.488 -39.570 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.679 10.462 -39.541 1.00 0.00 N ATOM 0 H ASN A 54 11.717 7.525 -41.754 1.00 0.00 H new ATOM 0 HA ASN A 54 14.352 6.618 -40.943 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.070 8.827 -41.926 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.822 9.242 -40.767 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.363 10.867 -38.902 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.896 11.025 -39.873 1.00 0.00 H new ATOM 820 N VAL A 55 13.816 5.848 -38.670 1.00 0.00 N ATOM 821 CA VAL A 55 13.721 5.492 -37.263 1.00 0.00 C ATOM 822 C VAL A 55 14.723 6.324 -36.470 1.00 0.00 C ATOM 823 O VAL A 55 15.921 6.267 -36.737 1.00 0.00 O ATOM 824 CB VAL A 55 14.006 3.997 -37.098 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.991 3.599 -35.624 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.955 3.177 -37.839 1.00 0.00 C ATOM 0 H VAL A 55 14.395 5.213 -39.219 1.00 0.00 H new ATOM 0 HA VAL A 55 12.718 5.697 -36.888 1.00 0.00 H new ATOM 0 HB VAL A 55 14.994 3.798 -37.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.196 2.532 -35.533 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.754 4.162 -35.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.012 3.818 -35.198 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.168 2.115 -37.715 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.968 3.399 -37.434 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.977 3.430 -38.899 1.00 0.00 H new ATOM 836 N ILE A 56 14.241 7.099 -35.491 1.00 0.00 N ATOM 837 CA ILE A 56 15.123 7.905 -34.652 1.00 0.00 C ATOM 838 C ILE A 56 15.757 7.032 -33.578 1.00 0.00 C ATOM 839 O ILE A 56 16.895 7.266 -33.171 1.00 0.00 O ATOM 840 CB ILE A 56 14.343 9.049 -33.991 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.528 9.843 -35.024 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.322 9.972 -33.255 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.850 11.056 -34.384 1.00 0.00 C ATOM 0 H ILE A 56 13.250 7.182 -35.264 1.00 0.00 H new ATOM 0 HA ILE A 56 15.904 8.331 -35.282 1.00 0.00 H new ATOM 0 HB ILE A 56 13.638 8.622 -33.278 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.182 10.173 -35.831 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.773 9.195 -35.471 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.771 10.786 -32.784 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.853 9.404 -32.491 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.039 10.383 -33.966 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.282 11.596 -35.141 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.177 10.722 -33.594 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.608 11.715 -33.960 1.00 0.00 H new ATOM 855 N SER A 57 15.019 6.021 -33.115 1.00 0.00 N ATOM 856 CA SER A 57 15.443 5.172 -32.018 1.00 0.00 C ATOM 857 C SER A 57 14.724 3.828 -32.050 1.00 0.00 C ATOM 858 O SER A 57 13.605 3.725 -32.553 1.00 0.00 O ATOM 859 CB SER A 57 15.187 5.910 -30.704 1.00 0.00 C ATOM 860 OG SER A 57 15.341 5.058 -29.590 1.00 0.00 O ATOM 0 H SER A 57 14.107 5.773 -33.498 1.00 0.00 H new ATOM 0 HA SER A 57 16.508 4.959 -32.112 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.876 6.750 -30.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.179 6.324 -30.709 1.00 0.00 H new ATOM 0 HG SER A 57 15.172 5.562 -28.767 1.00 0.00 H new ATOM 866 N ALA A 58 15.380 2.801 -31.510 1.00 0.00 N ATOM 867 CA ALA A 58 14.870 1.443 -31.476 1.00 0.00 C ATOM 868 C ALA A 58 15.317 0.774 -30.176 1.00 0.00 C ATOM 869 O ALA A 58 16.404 1.056 -29.669 1.00 0.00 O ATOM 870 CB ALA A 58 15.380 0.691 -32.704 1.00 0.00 C ATOM 0 H ALA A 58 16.298 2.899 -31.077 1.00 0.00 H new ATOM 0 HA ALA A 58 13.780 1.436 -31.502 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.002 -0.331 -32.688 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.033 1.192 -33.608 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.470 0.675 -32.694 1.00 0.00 H new ATOM 876 N LYS A 59 14.476 -0.114 -29.639 1.00 0.00 N ATOM 877 CA LYS A 59 14.687 -0.704 -28.326 1.00 0.00 C ATOM 878 C LYS A 59 13.962 -2.037 -28.187 1.00 0.00 C ATOM 879 O LYS A 59 12.827 -2.184 -28.637 1.00 0.00 O ATOM 880 CB LYS A 59 14.160 0.293 -27.283 1.00 0.00 C ATOM 881 CG LYS A 59 14.084 -0.261 -25.857 1.00 0.00 C ATOM 882 CD LYS A 59 15.477 -0.481 -25.268 1.00 0.00 C ATOM 883 CE LYS A 59 15.355 -1.026 -23.845 1.00 0.00 C ATOM 884 NZ LYS A 59 16.681 -1.157 -23.218 1.00 0.00 N ATOM 0 H LYS A 59 13.631 -0.441 -30.107 1.00 0.00 H new ATOM 0 HA LYS A 59 15.749 -0.902 -28.180 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.802 1.174 -27.283 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.166 0.623 -27.584 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.526 0.431 -25.226 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.536 -1.203 -25.860 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.038 -1.180 -25.888 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.032 0.457 -25.262 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.730 -0.361 -23.249 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.860 -1.997 -23.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.573 -1.529 -22.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.266 -1.810 -23.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.141 -0.225 -23.181 1.00 0.00 H new ATOM 898 N VAL A 60 14.620 -3.009 -27.556 1.00 0.00 N ATOM 899 CA VAL A 60 13.980 -4.246 -27.126 1.00 0.00 C ATOM 900 C VAL A 60 14.205 -4.283 -25.622 1.00 0.00 C ATOM 901 O VAL A 60 15.329 -4.119 -25.149 1.00 0.00 O ATOM 902 CB VAL A 60 14.595 -5.456 -27.827 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.223 -6.757 -27.116 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.067 -5.522 -29.259 1.00 0.00 C ATOM 0 H VAL A 60 15.613 -2.958 -27.330 1.00 0.00 H new ATOM 0 HA VAL A 60 12.920 -4.281 -27.378 1.00 0.00 H new ATOM 0 HB VAL A 60 15.679 -5.344 -27.812 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.676 -7.600 -27.639 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.589 -6.728 -26.090 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.139 -6.872 -27.112 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.501 -6.383 -29.767 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.981 -5.619 -29.242 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.341 -4.611 -29.790 1.00 0.00 H new ATOM 914 N PHE A 61 13.130 -4.497 -24.865 1.00 0.00 N ATOM 915 CA PHE A 61 13.191 -4.413 -23.420 1.00 0.00 C ATOM 916 C PHE A 61 13.930 -5.565 -22.744 1.00 0.00 C ATOM 917 O PHE A 61 13.900 -6.688 -23.244 1.00 0.00 O ATOM 918 CB PHE A 61 11.805 -4.140 -22.846 1.00 0.00 C ATOM 919 CG PHE A 61 11.329 -2.746 -23.183 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.947 -1.635 -22.597 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.280 -2.564 -24.092 1.00 0.00 C ATOM 922 CE1 PHE A 61 11.528 -0.339 -22.933 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.853 -1.271 -24.426 1.00 0.00 C ATOM 924 CZ PHE A 61 10.482 -0.157 -23.847 1.00 0.00 C ATOM 0 H PHE A 61 12.209 -4.730 -25.236 1.00 0.00 H new ATOM 0 HA PHE A 61 13.822 -3.557 -23.179 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.098 -4.871 -23.237 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.827 -4.266 -21.764 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.747 -1.776 -21.885 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.798 -3.422 -24.537 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.011 0.518 -22.487 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.043 -1.132 -25.126 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.159 0.840 -24.106 1.00 0.00 H new ATOM 934 N ILE A 62 14.591 -5.293 -21.616 1.00 0.00 N ATOM 935 CA ILE A 62 15.422 -6.274 -20.932 1.00 0.00 C ATOM 936 C ILE A 62 15.104 -6.295 -19.441 1.00 0.00 C ATOM 937 O ILE A 62 14.871 -5.245 -18.846 1.00 0.00 O ATOM 938 CB ILE A 62 16.909 -5.954 -21.151 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.309 -5.864 -22.630 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.753 -7.012 -20.435 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.209 -7.200 -23.366 1.00 0.00 C ATOM 0 H ILE A 62 14.562 -4.384 -21.155 1.00 0.00 H new ATOM 0 HA ILE A 62 15.208 -7.259 -21.347 1.00 0.00 H new ATOM 0 HB ILE A 62 17.093 -4.964 -20.734 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.671 -5.134 -23.128 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.332 -5.494 -22.701 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.811 -6.795 -20.583 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.526 -6.998 -19.369 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.524 -7.997 -20.842 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.506 -7.065 -24.406 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.868 -7.927 -22.892 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.182 -7.562 -23.326 1.00 0.00 H new ATOM 953 N ASP A 63 15.094 -7.486 -18.837 1.00 0.00 N ATOM 954 CA ASP A 63 14.882 -7.637 -17.404 1.00 0.00 C ATOM 955 C ASP A 63 16.235 -7.591 -16.696 1.00 0.00 C ATOM 956 O ASP A 63 17.188 -8.230 -17.133 1.00 0.00 O ATOM 957 CB ASP A 63 14.184 -8.973 -17.154 1.00 0.00 C ATOM 958 CG ASP A 63 13.789 -9.189 -15.695 1.00 0.00 C ATOM 959 OD1 ASP A 63 14.057 -8.287 -14.869 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.217 -10.267 -15.418 1.00 0.00 O ATOM 0 H ASP A 63 15.233 -8.368 -19.330 1.00 0.00 H new ATOM 0 HA ASP A 63 14.258 -6.832 -17.016 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.291 -9.030 -17.776 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.843 -9.783 -17.468 1.00 0.00 H new ATOM 965 N LYS A 64 16.324 -6.839 -15.599 1.00 0.00 N ATOM 966 CA LYS A 64 17.561 -6.695 -14.843 1.00 0.00 C ATOM 967 C LYS A 64 17.835 -7.917 -13.967 1.00 0.00 C ATOM 968 O LYS A 64 18.933 -8.064 -13.434 1.00 0.00 O ATOM 969 CB LYS A 64 17.448 -5.427 -13.995 1.00 0.00 C ATOM 970 CG LYS A 64 16.336 -5.547 -12.952 1.00 0.00 C ATOM 971 CD LYS A 64 15.946 -4.173 -12.419 1.00 0.00 C ATOM 972 CE LYS A 64 15.219 -3.383 -13.510 1.00 0.00 C ATOM 973 NZ LYS A 64 14.793 -2.056 -13.009 1.00 0.00 N ATOM 0 H LYS A 64 15.539 -6.314 -15.212 1.00 0.00 H new ATOM 0 HA LYS A 64 18.402 -6.616 -15.532 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.398 -5.236 -13.495 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.251 -4.572 -14.642 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.466 -6.031 -13.395 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.669 -6.180 -12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.303 -4.280 -11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.835 -3.632 -12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.875 -3.257 -14.371 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.349 -3.944 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.303 -1.540 -13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.149 -2.180 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.628 -1.515 -12.706 1.00 0.00 H new ATOM 987 N GLN A 65 16.840 -8.794 -13.810 1.00 0.00 N ATOM 988 CA GLN A 65 16.954 -9.988 -12.986 1.00 0.00 C ATOM 989 C GLN A 65 17.511 -11.183 -13.753 1.00 0.00 C ATOM 990 O GLN A 65 18.047 -12.107 -13.145 1.00 0.00 O ATOM 991 CB GLN A 65 15.560 -10.354 -12.476 1.00 0.00 C ATOM 992 CG GLN A 65 14.980 -9.285 -11.544 1.00 0.00 C ATOM 993 CD GLN A 65 15.782 -9.164 -10.256 1.00 0.00 C ATOM 994 OE1 GLN A 65 16.803 -8.312 -10.252 1.00 0.00 O flip ATOM 995 NE2 GLN A 65 15.492 -9.835 -9.268 1.00 0.00 N flip ATOM 0 H GLN A 65 15.929 -8.690 -14.256 1.00 0.00 H new ATOM 0 HA GLN A 65 17.645 -9.764 -12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.891 -10.494 -13.325 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.608 -11.306 -11.947 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.968 -8.323 -12.057 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.945 -9.532 -11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.702 -10.480 -9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.041 -9.747 -8.413 1.00 0.00 H new ATOM 1004 N THR A 66 17.386 -11.167 -15.082 1.00 0.00 N ATOM 1005 CA THR A 66 17.770 -12.284 -15.932 1.00 0.00 C ATOM 1006 C THR A 66 18.536 -11.886 -17.183 1.00 0.00 C ATOM 1007 O THR A 66 19.144 -12.728 -17.842 1.00 0.00 O ATOM 1008 CB THR A 66 16.569 -13.182 -16.261 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.968 -12.730 -17.454 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.504 -13.163 -15.169 1.00 0.00 C ATOM 0 H THR A 66 17.012 -10.370 -15.597 1.00 0.00 H new ATOM 0 HA THR A 66 18.478 -12.864 -15.340 1.00 0.00 H new ATOM 0 HB THR A 66 16.948 -14.200 -16.354 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.201 -13.301 -17.671 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.679 -13.815 -15.454 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.937 -13.514 -14.232 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.134 -12.146 -15.039 1.00 0.00 H new ATOM 1018 N ASN A 67 18.496 -10.589 -17.502 1.00 0.00 N ATOM 1019 CA ASN A 67 19.133 -10.008 -18.676 1.00 0.00 C ATOM 1020 C ASN A 67 18.573 -10.564 -19.989 1.00 0.00 C ATOM 1021 O ASN A 67 19.112 -10.283 -21.061 1.00 0.00 O ATOM 1022 CB ASN A 67 20.656 -10.125 -18.574 1.00 0.00 C ATOM 1023 CG ASN A 67 21.219 -9.339 -17.397 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.578 -8.447 -16.852 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.444 -9.674 -16.994 1.00 0.00 N ATOM 0 H ASN A 67 18.005 -9.900 -16.932 1.00 0.00 H new ATOM 0 HA ASN A 67 18.890 -8.946 -18.696 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.931 -11.175 -18.472 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.108 -9.765 -19.498 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.875 -9.183 -16.210 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.951 -10.421 -17.469 1.00 0.00 H new ATOM 1032 N LEU A 68 17.495 -11.351 -19.915 1.00 0.00 N ATOM 1033 CA LEU A 68 16.811 -11.860 -21.089 1.00 0.00 C ATOM 1034 C LEU A 68 15.848 -10.811 -21.638 1.00 0.00 C ATOM 1035 O LEU A 68 15.470 -9.870 -20.937 1.00 0.00 O ATOM 1036 CB LEU A 68 16.053 -13.141 -20.738 1.00 0.00 C ATOM 1037 CG LEU A 68 16.981 -14.250 -20.234 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.150 -15.480 -19.884 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.004 -14.634 -21.304 1.00 0.00 C ATOM 0 H LEU A 68 17.078 -11.649 -19.033 1.00 0.00 H new ATOM 0 HA LEU A 68 17.551 -12.087 -21.856 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.307 -12.921 -19.975 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.514 -13.494 -21.618 1.00 0.00 H new ATOM 0 HG LEU A 68 17.511 -13.883 -19.355 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.807 -16.272 -19.525 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.431 -15.224 -19.106 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.618 -15.824 -20.771 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.651 -15.423 -20.922 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.484 -14.990 -22.193 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.607 -13.763 -21.560 1.00 0.00 H new ATOM 1051 N SER A 69 15.456 -10.976 -22.901 1.00 0.00 N ATOM 1052 CA SER A 69 14.502 -10.084 -23.535 1.00 0.00 C ATOM 1053 C SER A 69 13.133 -10.222 -22.892 1.00 0.00 C ATOM 1054 O SER A 69 12.693 -11.331 -22.593 1.00 0.00 O ATOM 1055 CB SER A 69 14.426 -10.375 -25.034 1.00 0.00 C ATOM 1056 OG SER A 69 13.370 -9.638 -25.615 1.00 0.00 O ATOM 0 H SER A 69 15.791 -11.727 -23.504 1.00 0.00 H new ATOM 0 HA SER A 69 14.839 -9.057 -23.397 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.370 -10.113 -25.512 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.270 -11.441 -25.199 1.00 0.00 H new ATOM 0 HG SER A 69 13.328 -9.828 -26.576 1.00 0.00 H new ATOM 1062 N LYS A 70 12.458 -9.088 -22.682 1.00 0.00 N ATOM 1063 CA LYS A 70 11.095 -9.059 -22.164 1.00 0.00 C ATOM 1064 C LYS A 70 10.075 -9.407 -23.245 1.00 0.00 C ATOM 1065 O LYS A 70 8.871 -9.273 -23.028 1.00 0.00 O ATOM 1066 CB LYS A 70 10.790 -7.703 -21.528 1.00 0.00 C ATOM 1067 CG LYS A 70 11.647 -7.479 -20.283 1.00 0.00 C ATOM 1068 CD LYS A 70 11.069 -6.302 -19.496 1.00 0.00 C ATOM 1069 CE LYS A 70 11.790 -6.157 -18.158 1.00 0.00 C ATOM 1070 NZ LYS A 70 11.285 -4.992 -17.411 1.00 0.00 N ATOM 0 H LYS A 70 12.846 -8.163 -22.868 1.00 0.00 H new ATOM 0 HA LYS A 70 11.015 -9.823 -21.391 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.976 -6.908 -22.250 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.734 -7.651 -21.262 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.659 -8.377 -19.666 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.679 -7.274 -20.567 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.171 -5.383 -20.074 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.003 -6.456 -19.328 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.651 -7.062 -17.566 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.861 -6.048 -18.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.790 -4.915 -16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.440 -4.128 -17.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.268 -5.110 -17.231 1.00 0.00 H new ATOM 1084 N CYS A 71 10.550 -9.856 -24.412 1.00 0.00 N ATOM 1085 CA CYS A 71 9.710 -10.268 -25.527 1.00 0.00 C ATOM 1086 C CYS A 71 8.828 -9.148 -26.088 1.00 0.00 C ATOM 1087 O CYS A 71 7.804 -9.423 -26.709 1.00 0.00 O ATOM 1088 CB CYS A 71 8.926 -11.531 -25.163 1.00 0.00 C ATOM 1089 SG CYS A 71 10.100 -12.891 -24.911 1.00 0.00 S ATOM 0 H CYS A 71 11.548 -9.942 -24.605 1.00 0.00 H new ATOM 0 HA CYS A 71 10.374 -10.513 -26.356 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.340 -11.365 -24.259 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.222 -11.781 -25.957 1.00 0.00 H new ATOM 0 HG CYS A 71 9.450 -13.973 -24.599 1.00 0.00 H new ATOM 1095 N PHE A 72 9.213 -7.883 -25.879 1.00 0.00 N ATOM 1096 CA PHE A 72 8.491 -6.757 -26.454 1.00 0.00 C ATOM 1097 C PHE A 72 9.511 -5.616 -26.510 1.00 0.00 C ATOM 1098 O PHE A 72 10.583 -5.699 -25.909 1.00 0.00 O ATOM 1099 CB PHE A 72 7.307 -6.421 -25.543 1.00 0.00 C ATOM 1100 CG PHE A 72 7.547 -5.426 -24.435 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.064 -4.119 -24.579 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.224 -5.799 -23.265 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.239 -3.190 -23.545 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.405 -4.868 -22.232 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.911 -3.563 -22.371 1.00 0.00 C ATOM 0 H PHE A 72 10.021 -7.620 -25.315 1.00 0.00 H new ATOM 0 HA PHE A 72 8.086 -6.956 -27.446 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.498 -6.042 -26.167 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.954 -7.349 -25.093 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.557 -3.828 -25.487 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.606 -6.804 -23.159 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.856 -2.186 -23.652 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.925 -5.156 -21.330 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.048 -2.846 -21.575 1.00 0.00 H new ATOM 1115 N GLY A 73 9.179 -4.542 -27.234 1.00 0.00 N ATOM 1116 CA GLY A 73 10.107 -3.453 -27.482 1.00 0.00 C ATOM 1117 C GLY A 73 9.419 -2.145 -27.872 1.00 0.00 C ATOM 1118 O GLY A 73 8.197 -2.011 -27.795 1.00 0.00 O ATOM 0 H GLY A 73 8.261 -4.411 -27.660 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.707 -3.286 -26.588 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.794 -3.745 -28.277 1.00 0.00 H new ATOM 1122 N PHE A 74 10.243 -1.183 -28.292 1.00 0.00 N ATOM 1123 CA PHE A 74 9.870 0.180 -28.630 1.00 0.00 C ATOM 1124 C PHE A 74 10.621 0.772 -29.824 1.00 0.00 C ATOM 1125 O PHE A 74 11.812 0.507 -29.992 1.00 0.00 O ATOM 1126 CB PHE A 74 9.885 1.051 -27.369 1.00 0.00 C ATOM 1127 CG PHE A 74 10.165 2.516 -27.605 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.354 3.080 -27.118 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.249 3.310 -28.310 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.662 4.414 -27.419 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.544 4.652 -28.588 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.763 5.197 -28.157 1.00 0.00 C ATOM 0 H PHE A 74 11.242 -1.350 -28.410 1.00 0.00 H new ATOM 0 HA PHE A 74 8.846 0.157 -29.002 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.920 0.957 -26.870 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.637 0.659 -26.685 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.028 2.490 -26.515 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.312 2.886 -28.640 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.595 4.840 -27.081 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.837 5.263 -29.131 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.009 6.221 -28.394 1.00 0.00 H new ATOM 1142 N VAL A 75 9.944 1.568 -30.656 1.00 0.00 N ATOM 1143 CA VAL A 75 10.536 2.169 -31.850 1.00 0.00 C ATOM 1144 C VAL A 75 9.913 3.551 -32.073 1.00 0.00 C ATOM 1145 O VAL A 75 8.784 3.790 -31.656 1.00 0.00 O ATOM 1146 CB VAL A 75 10.295 1.251 -33.060 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.779 1.891 -34.363 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.021 -0.086 -32.908 1.00 0.00 C ATOM 0 H VAL A 75 8.964 1.814 -30.518 1.00 0.00 H new ATOM 0 HA VAL A 75 11.612 2.287 -31.721 1.00 0.00 H new ATOM 0 HB VAL A 75 9.218 1.091 -33.099 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.591 1.211 -35.194 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.243 2.825 -34.530 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.848 2.093 -34.294 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.827 -0.707 -33.782 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.093 0.090 -32.819 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.662 -0.596 -32.014 1.00 0.00 H new ATOM 1158 N SER A 76 10.640 4.465 -32.727 1.00 0.00 N ATOM 1159 CA SER A 76 10.157 5.826 -32.947 1.00 0.00 C ATOM 1160 C SER A 76 10.567 6.391 -34.307 1.00 0.00 C ATOM 1161 O SER A 76 11.641 6.074 -34.813 1.00 0.00 O ATOM 1162 CB SER A 76 10.662 6.717 -31.815 1.00 0.00 C ATOM 1163 OG SER A 76 10.337 8.061 -32.079 1.00 0.00 O ATOM 0 H SER A 76 11.567 4.282 -33.112 1.00 0.00 H new ATOM 0 HA SER A 76 9.067 5.801 -32.950 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.217 6.406 -30.870 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.742 6.609 -31.710 1.00 0.00 H new ATOM 0 HG SER A 76 11.159 8.593 -32.126 1.00 0.00 H new ATOM 1169 N TYR A 77 9.703 7.231 -34.885 1.00 0.00 N ATOM 1170 CA TYR A 77 9.917 7.863 -36.184 1.00 0.00 C ATOM 1171 C TYR A 77 9.993 9.388 -36.163 1.00 0.00 C ATOM 1172 O TYR A 77 9.613 10.005 -35.170 1.00 0.00 O ATOM 1173 CB TYR A 77 8.855 7.387 -37.173 1.00 0.00 C ATOM 1174 CG TYR A 77 9.008 5.940 -37.561 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.356 4.956 -36.804 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.792 5.586 -38.668 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.491 3.606 -37.150 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.934 4.235 -39.016 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.277 3.243 -38.259 1.00 0.00 C ATOM 1180 OH TYR A 77 9.399 1.931 -38.592 1.00 0.00 O ATOM 0 H TYR A 77 8.818 7.494 -34.451 1.00 0.00 H new ATOM 0 HA TYR A 77 10.909 7.545 -36.504 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.868 7.536 -36.735 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.902 8.004 -38.071 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.751 5.239 -35.956 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.285 6.351 -39.250 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.993 2.845 -36.567 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.545 3.955 -39.861 1.00 0.00 H new ATOM 0 HH TYR A 77 10.251 1.789 -39.054 1.00 0.00 H new ATOM 1190 N ASP A 78 10.474 10.007 -37.247 1.00 0.00 N ATOM 1191 CA ASP A 78 10.480 11.463 -37.353 1.00 0.00 C ATOM 1192 C ASP A 78 9.126 12.030 -37.769 1.00 0.00 C ATOM 1193 O ASP A 78 8.902 13.234 -37.664 1.00 0.00 O ATOM 1194 CB ASP A 78 11.586 11.956 -38.293 1.00 0.00 C ATOM 1195 CG ASP A 78 11.551 11.323 -39.684 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.393 11.741 -40.511 1.00 0.00 O ATOM 1197 OD2 ASP A 78 10.703 10.437 -39.918 1.00 0.00 O ATOM 0 H ASP A 78 10.861 9.522 -38.057 1.00 0.00 H new ATOM 0 HA ASP A 78 10.690 11.838 -36.351 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.505 13.038 -38.396 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.554 11.751 -37.836 1.00 0.00 H new ATOM 1202 N ASN A 79 8.223 11.168 -38.239 1.00 0.00 N ATOM 1203 CA ASN A 79 6.866 11.552 -38.603 1.00 0.00 C ATOM 1204 C ASN A 79 5.895 10.384 -38.443 1.00 0.00 C ATOM 1205 O ASN A 79 6.290 9.231 -38.629 1.00 0.00 O ATOM 1206 CB ASN A 79 6.822 12.140 -40.019 1.00 0.00 C ATOM 1207 CG ASN A 79 7.714 11.422 -41.029 1.00 0.00 C ATOM 1208 OD1 ASN A 79 8.336 12.070 -41.866 1.00 0.00 O ATOM 1209 ND2 ASN A 79 7.795 10.094 -40.967 1.00 0.00 N ATOM 0 H ASN A 79 8.418 10.177 -38.377 1.00 0.00 H new ATOM 0 HA ASN A 79 6.542 12.333 -37.915 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.793 12.114 -40.378 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.117 13.188 -39.973 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.386 9.588 -41.626 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.266 9.583 -40.260 1.00 0.00 H new ATOM 1216 N PRO A 80 4.631 10.666 -38.107 1.00 0.00 N ATOM 1217 CA PRO A 80 3.628 9.652 -37.839 1.00 0.00 C ATOM 1218 C PRO A 80 3.254 8.868 -39.093 1.00 0.00 C ATOM 1219 O PRO A 80 2.771 7.743 -38.989 1.00 0.00 O ATOM 1220 CB PRO A 80 2.424 10.422 -37.300 1.00 0.00 C ATOM 1221 CG PRO A 80 2.567 11.795 -37.955 1.00 0.00 C ATOM 1222 CD PRO A 80 4.076 11.997 -37.950 1.00 0.00 C ATOM 0 HA PRO A 80 3.998 8.908 -37.133 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.484 9.942 -37.572 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.444 10.491 -36.212 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.158 11.809 -38.965 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.050 12.571 -37.391 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.389 12.654 -38.761 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.410 12.457 -37.020 1.00 0.00 H new ATOM 1230 N VAL A 81 3.464 9.437 -40.284 1.00 0.00 N ATOM 1231 CA VAL A 81 3.111 8.753 -41.519 1.00 0.00 C ATOM 1232 C VAL A 81 3.899 7.451 -41.676 1.00 0.00 C ATOM 1233 O VAL A 81 3.360 6.447 -42.139 1.00 0.00 O ATOM 1234 CB VAL A 81 3.311 9.700 -42.701 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.786 10.021 -42.950 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.727 9.085 -43.972 1.00 0.00 C ATOM 0 H VAL A 81 3.874 10.362 -40.413 1.00 0.00 H new ATOM 0 HA VAL A 81 2.059 8.470 -41.486 1.00 0.00 H new ATOM 0 HB VAL A 81 2.796 10.627 -42.449 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.873 10.697 -43.800 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.210 10.495 -42.065 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.328 9.100 -43.163 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.875 9.768 -44.808 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.228 8.140 -44.182 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.661 8.907 -43.833 1.00 0.00 H new ATOM 1246 N SER A 82 5.176 7.475 -41.284 1.00 0.00 N ATOM 1247 CA SER A 82 6.027 6.299 -41.334 1.00 0.00 C ATOM 1248 C SER A 82 5.664 5.335 -40.211 1.00 0.00 C ATOM 1249 O SER A 82 5.825 4.125 -40.354 1.00 0.00 O ATOM 1250 CB SER A 82 7.481 6.736 -41.186 1.00 0.00 C ATOM 1251 OG SER A 82 8.310 5.600 -41.147 1.00 0.00 O ATOM 0 H SER A 82 5.640 8.309 -40.926 1.00 0.00 H new ATOM 0 HA SER A 82 5.885 5.790 -42.287 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.765 7.379 -42.019 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.605 7.322 -40.275 1.00 0.00 H new ATOM 0 HG SER A 82 8.459 5.336 -40.215 1.00 0.00 H new ATOM 1257 N ALA A 83 5.173 5.869 -39.089 1.00 0.00 N ATOM 1258 CA ALA A 83 4.856 5.049 -37.937 1.00 0.00 C ATOM 1259 C ALA A 83 3.590 4.239 -38.190 1.00 0.00 C ATOM 1260 O ALA A 83 3.571 3.035 -37.946 1.00 0.00 O ATOM 1261 CB ALA A 83 4.690 5.951 -36.715 1.00 0.00 C ATOM 0 H ALA A 83 4.990 6.864 -38.963 1.00 0.00 H new ATOM 0 HA ALA A 83 5.668 4.345 -37.755 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.451 5.342 -35.843 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.618 6.494 -36.535 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.883 6.661 -36.894 1.00 0.00 H new ATOM 1267 N GLN A 84 2.528 4.884 -38.682 1.00 0.00 N ATOM 1268 CA GLN A 84 1.266 4.199 -38.917 1.00 0.00 C ATOM 1269 C GLN A 84 1.413 3.161 -40.028 1.00 0.00 C ATOM 1270 O GLN A 84 0.698 2.158 -40.031 1.00 0.00 O ATOM 1271 CB GLN A 84 0.176 5.222 -39.249 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.011 6.222 -38.102 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.311 5.536 -36.775 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.094 4.591 -36.712 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.310 6.007 -35.698 1.00 0.00 N ATOM 0 H GLN A 84 2.523 5.875 -38.922 1.00 0.00 H new ATOM 0 HA GLN A 84 0.975 3.667 -38.011 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.440 5.756 -40.162 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.764 4.706 -39.443 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.891 6.826 -38.000 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.825 6.904 -38.347 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.954 6.793 -35.784 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.142 5.582 -34.786 1.00 0.00 H new ATOM 1284 N ALA A 85 2.335 3.385 -40.973 1.00 0.00 N ATOM 1285 CA ALA A 85 2.614 2.395 -41.997 1.00 0.00 C ATOM 1286 C ALA A 85 3.293 1.178 -41.369 1.00 0.00 C ATOM 1287 O ALA A 85 2.936 0.042 -41.676 1.00 0.00 O ATOM 1288 CB ALA A 85 3.530 3.001 -43.055 1.00 0.00 C ATOM 0 H ALA A 85 2.891 4.237 -41.042 1.00 0.00 H new ATOM 0 HA ALA A 85 1.678 2.084 -42.461 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.739 2.257 -43.824 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.042 3.864 -43.508 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.464 3.315 -42.590 1.00 0.00 H new ATOM 1294 N ALA A 86 4.271 1.418 -40.493 1.00 0.00 N ATOM 1295 CA ALA A 86 4.998 0.350 -39.838 1.00 0.00 C ATOM 1296 C ALA A 86 4.100 -0.488 -38.923 1.00 0.00 C ATOM 1297 O ALA A 86 4.397 -1.660 -38.695 1.00 0.00 O ATOM 1298 CB ALA A 86 6.153 0.959 -39.049 1.00 0.00 C ATOM 0 H ALA A 86 4.573 2.355 -40.225 1.00 0.00 H new ATOM 0 HA ALA A 86 5.379 -0.329 -40.601 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.710 0.166 -38.550 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.815 1.495 -39.729 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.760 1.651 -38.304 1.00 0.00 H new ATOM 1304 N ILE A 87 3.007 0.081 -38.391 1.00 0.00 N ATOM 1305 CA ILE A 87 2.058 -0.711 -37.615 1.00 0.00 C ATOM 1306 C ILE A 87 1.398 -1.728 -38.530 1.00 0.00 C ATOM 1307 O ILE A 87 1.379 -2.916 -38.229 1.00 0.00 O ATOM 1308 CB ILE A 87 0.989 0.172 -36.958 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.638 1.122 -35.944 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.060 -0.710 -36.265 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.604 1.916 -35.143 1.00 0.00 C ATOM 0 H ILE A 87 2.767 1.068 -38.485 1.00 0.00 H new ATOM 0 HA ILE A 87 2.601 -1.218 -36.818 1.00 0.00 H new ATOM 0 HB ILE A 87 0.498 0.768 -37.727 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.261 0.547 -35.259 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.297 1.814 -36.469 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.817 -0.078 -35.800 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.533 -1.360 -37.001 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.424 -1.319 -35.501 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.115 2.573 -34.440 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.002 2.514 -35.823 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.039 1.227 -34.595 1.00 0.00 H new ATOM 1323 N GLN A 88 0.856 -1.263 -39.655 1.00 0.00 N ATOM 1324 CA GLN A 88 0.189 -2.134 -40.609 1.00 0.00 C ATOM 1325 C GLN A 88 1.175 -3.096 -41.274 1.00 0.00 C ATOM 1326 O GLN A 88 0.762 -4.043 -41.939 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.519 -1.281 -41.659 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.601 -0.404 -41.014 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.266 0.521 -42.022 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -1.950 0.505 -43.211 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.202 1.339 -41.555 1.00 0.00 N ATOM 0 H GLN A 88 0.869 -0.279 -39.925 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.543 -2.740 -40.075 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.208 -0.651 -42.172 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.970 -1.926 -42.413 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.357 -1.041 -40.554 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.157 0.190 -40.216 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.441 1.328 -40.563 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.682 1.979 -42.188 1.00 0.00 H new ATOM 1340 N ALA A 89 2.479 -2.857 -41.095 1.00 0.00 N ATOM 1341 CA ALA A 89 3.522 -3.661 -41.707 1.00 0.00 C ATOM 1342 C ALA A 89 4.005 -4.791 -40.798 1.00 0.00 C ATOM 1343 O ALA A 89 4.469 -5.813 -41.303 1.00 0.00 O ATOM 1344 CB ALA A 89 4.687 -2.744 -42.054 1.00 0.00 C ATOM 0 H ALA A 89 2.834 -2.095 -40.517 1.00 0.00 H new ATOM 0 HA ALA A 89 3.111 -4.133 -42.600 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.484 -3.327 -42.516 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.350 -1.975 -42.749 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.062 -2.273 -41.146 1.00 0.00 H new ATOM 1350 N MET A 90 3.905 -4.625 -39.474 1.00 0.00 N ATOM 1351 CA MET A 90 4.400 -5.627 -38.530 1.00 0.00 C ATOM 1352 C MET A 90 3.316 -6.181 -37.606 1.00 0.00 C ATOM 1353 O MET A 90 3.514 -7.231 -36.997 1.00 0.00 O ATOM 1354 CB MET A 90 5.561 -5.042 -37.719 1.00 0.00 C ATOM 1355 CG MET A 90 6.804 -4.871 -38.593 1.00 0.00 C ATOM 1356 SD MET A 90 7.481 -6.412 -39.274 1.00 0.00 S ATOM 1357 CE MET A 90 7.882 -7.303 -37.743 1.00 0.00 C ATOM 0 H MET A 90 3.485 -3.806 -39.035 1.00 0.00 H new ATOM 0 HA MET A 90 4.749 -6.475 -39.119 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.269 -4.078 -37.302 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.790 -5.697 -36.878 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.560 -4.203 -39.419 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.579 -4.380 -38.004 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.437 -8.209 -37.984 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.489 -6.666 -37.100 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.961 -7.569 -37.225 1.00 0.00 H new ATOM 1367 N ASN A 91 2.175 -5.499 -37.485 1.00 0.00 N ATOM 1368 CA ASN A 91 1.069 -6.016 -36.700 1.00 0.00 C ATOM 1369 C ASN A 91 0.543 -7.282 -37.376 1.00 0.00 C ATOM 1370 O ASN A 91 0.359 -7.307 -38.595 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.020 -4.946 -36.598 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.113 -5.317 -35.610 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.966 -6.238 -34.812 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.226 -4.592 -35.655 1.00 0.00 N ATOM 0 H ASN A 91 2.000 -4.593 -37.920 1.00 0.00 H new ATOM 0 HA ASN A 91 1.393 -6.266 -35.690 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.432 -4.001 -36.297 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.463 -4.788 -37.582 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.992 -4.794 -35.013 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.314 -3.834 -36.332 1.00 0.00 H new ATOM 1381 N GLY A 92 0.300 -8.330 -36.590 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.199 -9.599 -37.100 1.00 0.00 C ATOM 1383 C GLY A 92 0.894 -10.450 -37.745 1.00 0.00 C ATOM 1384 O GLY A 92 0.593 -11.529 -38.257 1.00 0.00 O ATOM 0 H GLY A 92 0.445 -8.319 -35.580 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.655 -10.159 -36.284 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.983 -9.408 -37.832 1.00 0.00 H new ATOM 1388 N PHE A 93 2.153 -9.997 -37.737 1.00 0.00 N ATOM 1389 CA PHE A 93 3.242 -10.735 -38.360 1.00 0.00 C ATOM 1390 C PHE A 93 3.513 -12.035 -37.606 1.00 0.00 C ATOM 1391 O PHE A 93 3.831 -12.003 -36.421 1.00 0.00 O ATOM 1392 CB PHE A 93 4.492 -9.851 -38.421 1.00 0.00 C ATOM 1393 CG PHE A 93 5.715 -10.510 -39.020 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.008 -10.332 -40.382 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.563 -11.290 -38.222 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.147 -10.928 -40.942 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.701 -11.884 -38.784 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.994 -11.705 -40.145 1.00 0.00 C ATOM 0 H PHE A 93 2.437 -9.119 -37.303 1.00 0.00 H new ATOM 0 HA PHE A 93 2.959 -11.004 -39.378 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.259 -8.958 -39.001 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.734 -9.521 -37.411 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.354 -9.734 -41.000 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.340 -11.433 -37.175 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.370 -10.787 -41.989 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.355 -12.482 -38.167 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.871 -12.166 -40.575 1.00 0.00 H new ATOM 1408 N GLN A 94 3.384 -13.183 -38.279 1.00 0.00 N ATOM 1409 CA GLN A 94 3.547 -14.474 -37.623 1.00 0.00 C ATOM 1410 C GLN A 94 5.023 -14.824 -37.426 1.00 0.00 C ATOM 1411 O GLN A 94 5.809 -14.801 -38.371 1.00 0.00 O ATOM 1412 CB GLN A 94 2.821 -15.560 -38.423 1.00 0.00 C ATOM 1413 CG GLN A 94 2.987 -16.919 -37.735 1.00 0.00 C ATOM 1414 CD GLN A 94 2.234 -18.029 -38.460 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.435 -17.780 -39.359 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.485 -19.275 -38.066 1.00 0.00 N ATOM 0 H GLN A 94 3.168 -13.239 -39.274 1.00 0.00 H new ATOM 0 HA GLN A 94 3.101 -14.413 -36.630 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.763 -15.314 -38.509 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.221 -15.605 -39.436 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.046 -17.173 -37.687 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.629 -16.850 -36.708 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.155 -19.448 -37.316 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.008 -20.057 -38.514 1.00 0.00 H new ATOM 1425 N ILE A 95 5.393 -15.146 -36.184 1.00 0.00 N ATOM 1426 CA ILE A 95 6.751 -15.519 -35.824 1.00 0.00 C ATOM 1427 C ILE A 95 6.728 -16.379 -34.554 1.00 0.00 C ATOM 1428 O ILE A 95 6.021 -16.060 -33.598 1.00 0.00 O ATOM 1429 CB ILE A 95 7.570 -14.239 -35.625 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.041 -14.557 -35.357 1.00 0.00 C ATOM 1431 CG2 ILE A 95 7.006 -13.390 -34.484 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.868 -13.271 -35.351 1.00 0.00 C ATOM 0 H ILE A 95 4.746 -15.153 -35.396 1.00 0.00 H new ATOM 0 HA ILE A 95 7.213 -16.110 -36.615 1.00 0.00 H new ATOM 0 HB ILE A 95 7.501 -13.668 -36.551 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.141 -15.067 -34.399 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.418 -15.237 -36.121 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.609 -12.489 -34.368 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.977 -13.111 -34.712 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.029 -13.964 -33.558 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.914 -13.512 -35.159 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.781 -12.778 -36.319 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.500 -12.605 -34.570 1.00 0.00 H new ATOM 1444 N GLY A 96 7.495 -17.471 -34.521 1.00 0.00 N ATOM 1445 CA GLY A 96 7.579 -18.301 -33.323 1.00 0.00 C ATOM 1446 C GLY A 96 6.218 -18.880 -32.936 1.00 0.00 C ATOM 1447 O GLY A 96 5.944 -19.077 -31.753 1.00 0.00 O ATOM 0 H GLY A 96 8.061 -17.797 -35.304 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.285 -19.114 -33.493 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.970 -17.708 -32.496 1.00 0.00 H new ATOM 1451 N MET A 97 5.366 -19.148 -33.931 1.00 0.00 N ATOM 1452 CA MET A 97 4.018 -19.673 -33.741 1.00 0.00 C ATOM 1453 C MET A 97 3.077 -18.717 -32.998 1.00 0.00 C ATOM 1454 O MET A 97 2.082 -19.157 -32.423 1.00 0.00 O ATOM 1455 CB MET A 97 4.056 -21.077 -33.132 1.00 0.00 C ATOM 1456 CG MET A 97 4.859 -22.026 -34.023 1.00 0.00 C ATOM 1457 SD MET A 97 4.938 -23.737 -33.422 1.00 0.00 S ATOM 1458 CE MET A 97 5.905 -23.492 -31.913 1.00 0.00 C ATOM 0 H MET A 97 5.604 -19.001 -34.912 1.00 0.00 H new ATOM 0 HA MET A 97 3.576 -19.760 -34.733 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.502 -21.037 -32.138 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.041 -21.455 -33.010 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.421 -22.025 -35.021 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.874 -21.641 -34.120 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.260 -24.456 -31.548 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.758 -22.848 -32.128 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.280 -23.024 -31.152 1.00 0.00 H new ATOM 1468 N LYS A 98 3.382 -17.412 -33.008 1.00 0.00 N ATOM 1469 CA LYS A 98 2.494 -16.386 -32.468 1.00 0.00 C ATOM 1470 C LYS A 98 2.614 -15.126 -33.325 1.00 0.00 C ATOM 1471 O LYS A 98 3.630 -14.925 -33.984 1.00 0.00 O ATOM 1472 CB LYS A 98 2.823 -16.134 -30.990 1.00 0.00 C ATOM 1473 CG LYS A 98 1.782 -15.216 -30.335 1.00 0.00 C ATOM 1474 CD LYS A 98 1.841 -15.304 -28.806 1.00 0.00 C ATOM 1475 CE LYS A 98 3.166 -14.775 -28.259 1.00 0.00 C ATOM 1476 NZ LYS A 98 3.306 -15.088 -26.821 1.00 0.00 N ATOM 0 H LYS A 98 4.252 -17.043 -33.392 1.00 0.00 H new ATOM 0 HA LYS A 98 1.456 -16.716 -32.505 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.860 -17.084 -30.457 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.812 -15.683 -30.907 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.954 -14.186 -30.648 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.785 -15.491 -30.678 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.017 -14.734 -28.377 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.707 -16.340 -28.496 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.995 -15.216 -28.813 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.221 -13.697 -28.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.214 -14.719 -26.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.527 -14.647 -26.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.277 -16.119 -26.686 1.00 0.00 H new ATOM 1490 N ARG A 99 1.593 -14.266 -33.342 1.00 0.00 N ATOM 1491 CA ARG A 99 1.622 -13.073 -34.178 1.00 0.00 C ATOM 1492 C ARG A 99 2.046 -11.850 -33.376 1.00 0.00 C ATOM 1493 O ARG A 99 1.558 -11.640 -32.269 1.00 0.00 O ATOM 1494 CB ARG A 99 0.265 -12.869 -34.848 1.00 0.00 C ATOM 1495 CG ARG A 99 -0.023 -14.009 -35.829 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.369 -13.795 -36.513 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.664 -14.882 -37.453 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.300 -14.892 -38.739 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.621 -13.882 -39.272 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.623 -15.926 -39.510 1.00 0.00 N ATOM 0 H ARG A 99 0.743 -14.376 -32.789 1.00 0.00 H new ATOM 0 HA ARG A 99 2.367 -13.213 -34.961 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.518 -12.825 -34.091 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.252 -11.915 -35.375 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.768 -14.062 -36.577 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.025 -14.962 -35.299 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.157 -13.736 -35.762 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.363 -12.843 -37.044 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.183 -15.686 -37.101 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.367 -13.078 -38.697 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.353 -13.910 -40.256 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.147 -16.709 -39.120 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.346 -15.936 -40.492 1.00 0.00 H new ATOM 1514 N LEU A 100 2.951 -11.043 -33.930 1.00 0.00 N ATOM 1515 CA LEU A 100 3.410 -9.828 -33.280 1.00 0.00 C ATOM 1516 C LEU A 100 2.280 -8.816 -33.134 1.00 0.00 C ATOM 1517 O LEU A 100 1.565 -8.531 -34.094 1.00 0.00 O ATOM 1518 CB LEU A 100 4.556 -9.204 -34.080 1.00 0.00 C ATOM 1519 CG LEU A 100 5.777 -10.121 -34.178 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.879 -9.406 -34.953 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.297 -10.483 -32.792 1.00 0.00 C ATOM 0 H LEU A 100 3.381 -11.217 -34.838 1.00 0.00 H new ATOM 0 HA LEU A 100 3.762 -10.096 -32.284 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.205 -8.965 -35.084 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.850 -8.264 -33.613 1.00 0.00 H new ATOM 0 HG LEU A 100 5.484 -11.037 -34.691 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.752 -10.055 -35.026 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.522 -9.164 -35.954 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.152 -8.487 -34.433 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.165 -11.135 -32.888 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.583 -9.574 -32.262 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.516 -10.998 -32.233 1.00 0.00 H new ATOM 1533 N LYS A 101 2.127 -8.275 -31.924 1.00 0.00 N ATOM 1534 CA LYS A 101 1.214 -7.174 -31.663 1.00 0.00 C ATOM 1535 C LYS A 101 1.985 -5.867 -31.830 1.00 0.00 C ATOM 1536 O LYS A 101 3.119 -5.764 -31.370 1.00 0.00 O ATOM 1537 CB LYS A 101 0.623 -7.333 -30.261 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.288 -6.159 -29.892 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.672 -6.219 -28.409 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.448 -7.488 -28.046 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.753 -7.547 -28.732 1.00 0.00 N ATOM 0 H LYS A 101 2.636 -8.593 -31.099 1.00 0.00 H new ATOM 0 HA LYS A 101 0.380 -7.168 -32.364 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.057 -8.263 -30.208 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.430 -7.410 -29.533 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.219 -5.218 -30.104 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.187 -6.182 -30.507 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.232 -6.166 -27.802 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.275 -5.346 -28.159 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.857 -8.364 -28.313 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.602 -7.524 -26.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.291 -8.366 -28.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.286 -6.675 -28.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.603 -7.641 -29.757 1.00 0.00 H new ATOM 1555 N VAL A 102 1.373 -4.874 -32.478 1.00 0.00 N ATOM 1556 CA VAL A 102 1.970 -3.555 -32.639 1.00 0.00 C ATOM 1557 C VAL A 102 0.929 -2.490 -32.324 1.00 0.00 C ATOM 1558 O VAL A 102 -0.213 -2.597 -32.775 1.00 0.00 O ATOM 1559 CB VAL A 102 2.565 -3.402 -34.044 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.253 -2.048 -34.224 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.590 -4.499 -34.332 1.00 0.00 C ATOM 0 H VAL A 102 0.451 -4.965 -32.904 1.00 0.00 H new ATOM 0 HA VAL A 102 2.796 -3.431 -31.938 1.00 0.00 H new ATOM 0 HB VAL A 102 1.730 -3.479 -34.740 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.661 -1.979 -35.232 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.528 -1.248 -34.070 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.060 -1.951 -33.498 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.995 -4.365 -35.335 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.399 -4.441 -33.604 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.108 -5.474 -34.263 1.00 0.00 H new ATOM 1571 N GLN A 103 1.304 -1.463 -31.557 1.00 0.00 N ATOM 1572 CA GLN A 103 0.350 -0.456 -31.106 1.00 0.00 C ATOM 1573 C GLN A 103 1.019 0.904 -30.911 1.00 0.00 C ATOM 1574 O GLN A 103 2.236 0.986 -30.779 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.291 -0.957 -29.804 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.434 -0.051 -29.331 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.346 -0.749 -28.325 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -1.855 -1.791 -27.655 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -3.491 -0.348 -28.142 1.00 0.00 N flip ATOM 0 H GLN A 103 2.261 -1.310 -31.238 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.418 -0.312 -31.865 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.670 -1.968 -29.954 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.470 -1.014 -29.026 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.018 0.849 -28.878 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.022 0.268 -30.191 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.841 0.452 -28.669 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.092 -0.815 -27.463 1.00 0.00 H new ATOM 1588 N LEU A 104 0.225 1.979 -30.894 1.00 0.00 N ATOM 1589 CA LEU A 104 0.721 3.329 -30.656 1.00 0.00 C ATOM 1590 C LEU A 104 1.010 3.526 -29.163 1.00 0.00 C ATOM 1591 O LEU A 104 0.348 2.923 -28.315 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.341 4.321 -31.145 1.00 0.00 C ATOM 1593 CG LEU A 104 0.248 5.512 -31.909 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -0.900 6.284 -32.555 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.019 6.460 -30.992 1.00 0.00 C ATOM 0 H LEU A 104 -0.783 1.932 -31.046 1.00 0.00 H new ATOM 0 HA LEU A 104 1.652 3.495 -31.198 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.047 3.798 -31.790 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.905 4.691 -30.288 1.00 0.00 H new ATOM 0 HG LEU A 104 0.944 5.127 -32.654 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.501 7.137 -33.104 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.438 5.630 -33.241 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.582 6.637 -31.781 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.418 7.288 -31.578 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.350 6.848 -30.224 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.840 5.921 -30.519 1.00 0.00 H new ATOM 1607 N LYS A 105 1.990 4.366 -28.828 1.00 0.00 N ATOM 1608 CA LYS A 105 2.282 4.730 -27.443 1.00 0.00 C ATOM 1609 C LYS A 105 1.064 5.426 -26.835 1.00 0.00 C ATOM 1610 O LYS A 105 0.406 6.216 -27.517 1.00 0.00 O ATOM 1611 CB LYS A 105 3.525 5.626 -27.404 1.00 0.00 C ATOM 1612 CG LYS A 105 3.862 6.064 -25.977 1.00 0.00 C ATOM 1613 CD LYS A 105 5.119 6.934 -25.973 1.00 0.00 C ATOM 1614 CE LYS A 105 5.466 7.309 -24.531 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.583 8.266 -24.465 1.00 0.00 N ATOM 0 H LYS A 105 2.603 4.813 -29.510 1.00 0.00 H new ATOM 0 HA LYS A 105 2.491 3.839 -26.852 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.373 5.090 -27.830 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.359 6.506 -28.025 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.026 6.619 -25.552 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.016 5.188 -25.347 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.949 6.397 -26.432 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.955 7.834 -26.566 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.590 7.740 -24.047 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.726 6.409 -23.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.753 8.533 -23.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.440 7.827 -24.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.346 9.115 -25.017 1.00 0.00 H new