USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 576 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 89 HIS : no HD1:sc= -2.36 K(o=-3.1,f=-4.7!) USER MOD Set 1.2: A 93 SER OG : rot -163:sc= -0.716 USER MOD Set 2.1: A 43 MET CE :methyl 179:sc= -1.17 (180deg=-1.21) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.259 K(o=-1.4,f=-2) USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 SER OG : rot 107:sc=0.000616 USER MOD Set 4.1: A 32 ASN : amide:sc= 1.05 K(o=2,f=-4.9!) USER MOD Set 4.2: A 68 CYS SG : rot 94:sc= 0.967 USER MOD Single : A 24 THR OG1 : rot 35:sc= 0.275 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00267 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -2.44 X(o=-2.4,f=-2.8) USER MOD Single : A 49 SER OG : rot 77:sc= 0.994 USER MOD Single : A 51 SER OG : rot -140:sc= 0.116 USER MOD Single : A 55 THR OG1 : rot 76:sc= 0.084 USER MOD Single : A 62 MET CE :methyl 149:sc= -2.55! (180deg=-5.06!) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.285 (180deg=-0.942) USER MOD Single : A 65 ASN : amide:sc= -3.69! C(o=-3.7!,f=-3.7!) USER MOD Single : A 66 SER OG : rot 65:sc= 0.962 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.302 F(o=-0.95,f=-0.3) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -4.81! C(o=-4.8!,f=-6.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 84 LYS NZ :NH3+ -121:sc=-0.00928 (180deg=-0.877) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.155 K(o=-0.16,f=-3.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ALA A 23 -3.593 -1.431 -11.410 1.00 0.00 N ATOM 312 CA ALA A 23 -4.794 -1.181 -10.623 1.00 0.00 C ATOM 313 C ALA A 23 -5.789 -0.321 -11.395 1.00 0.00 C ATOM 314 O ALA A 23 -5.433 0.729 -11.931 1.00 0.00 O ATOM 315 CB ALA A 23 -4.431 -0.516 -9.303 1.00 0.00 C ATOM 0 HA ALA A 23 -5.268 -2.140 -10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.337 -0.335 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.765 -1.168 -8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.930 0.432 -9.499 1.00 0.00 H new ATOM 321 N THR A 24 -7.038 -0.773 -11.450 1.00 0.00 N ATOM 322 CA THR A 24 -8.083 -0.045 -12.158 1.00 0.00 C ATOM 323 C THR A 24 -9.032 0.642 -11.183 1.00 0.00 C ATOM 324 O THR A 24 -8.944 0.444 -9.971 1.00 0.00 O ATOM 325 CB THR A 24 -8.895 -0.979 -13.075 1.00 0.00 C ATOM 326 OG1 THR A 24 -9.693 -0.207 -13.979 1.00 0.00 O ATOM 327 CG2 THR A 24 -9.791 -1.897 -12.256 1.00 0.00 C ATOM 0 H THR A 24 -7.350 -1.640 -11.013 1.00 0.00 H new ATOM 0 HA THR A 24 -7.585 0.709 -12.768 1.00 0.00 H new ATOM 0 HB THR A 24 -8.195 -1.592 -13.643 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.207 0.606 -14.232 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.355 -2.547 -12.925 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.178 -2.505 -11.591 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.483 -1.297 -11.665 1.00 0.00 H new ATOM 335 N VAL A 25 -9.941 1.450 -11.719 1.00 0.00 N ATOM 336 CA VAL A 25 -10.909 2.165 -10.896 1.00 0.00 C ATOM 337 C VAL A 25 -12.310 1.589 -11.069 1.00 0.00 C ATOM 338 O VAL A 25 -12.753 1.331 -12.187 1.00 0.00 O ATOM 339 CB VAL A 25 -10.937 3.667 -11.239 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.239 3.871 -12.716 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.955 4.392 -10.372 1.00 0.00 C ATOM 0 H VAL A 25 -10.027 1.626 -12.720 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.595 2.042 -9.860 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.953 4.088 -11.033 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.255 4.938 -12.940 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.469 3.386 -13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.210 3.436 -12.952 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.962 5.452 -10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.945 3.971 -10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.688 4.274 -9.322 1.00 0.00 H new ATOM 351 N GLY A 26 -13.005 1.391 -9.952 1.00 0.00 N ATOM 352 CA GLY A 26 -14.349 0.847 -10.002 1.00 0.00 C ATOM 353 C GLY A 26 -14.359 -0.660 -10.166 1.00 0.00 C ATOM 354 O GLY A 26 -15.069 -1.193 -11.019 1.00 0.00 O ATOM 0 H GLY A 26 -12.661 1.598 -9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.880 1.113 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.892 1.303 -10.830 1.00 0.00 H new ATOM 358 N SER A 27 -13.569 -1.348 -9.349 1.00 0.00 N ATOM 359 CA SER A 27 -13.486 -2.802 -9.411 1.00 0.00 C ATOM 360 C SER A 27 -12.763 -3.358 -8.187 1.00 0.00 C ATOM 361 O SER A 27 -11.864 -2.718 -7.640 1.00 0.00 O ATOM 362 CB SER A 27 -12.762 -3.239 -10.686 1.00 0.00 C ATOM 363 OG SER A 27 -13.081 -4.578 -11.020 1.00 0.00 O ATOM 0 H SER A 27 -12.977 -0.922 -8.636 1.00 0.00 H new ATOM 0 HA SER A 27 -14.501 -3.199 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.038 -2.580 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.685 -3.142 -10.548 1.00 0.00 H new ATOM 0 HG SER A 27 -12.607 -4.833 -11.839 1.00 0.00 H new ATOM 369 N ILE A 28 -13.163 -4.552 -7.764 1.00 0.00 N ATOM 370 CA ILE A 28 -12.554 -5.195 -6.606 1.00 0.00 C ATOM 371 C ILE A 28 -11.124 -5.629 -6.908 1.00 0.00 C ATOM 372 O ILE A 28 -10.893 -6.715 -7.442 1.00 0.00 O ATOM 373 CB ILE A 28 -13.366 -6.422 -6.151 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.728 -5.986 -5.607 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.596 -7.206 -5.099 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.673 -7.139 -5.351 1.00 0.00 C ATOM 0 H ILE A 28 -13.906 -5.094 -8.205 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.546 -4.458 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.530 -7.070 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.580 -5.435 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.190 -5.298 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.183 -8.070 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.648 -7.543 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.405 -6.567 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.618 -6.756 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.851 -7.677 -6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.231 -7.816 -4.620 1.00 0.00 H new ATOM 388 N CYS A 29 -10.167 -4.776 -6.561 1.00 0.00 N ATOM 389 CA CYS A 29 -8.757 -5.072 -6.794 1.00 0.00 C ATOM 390 C CYS A 29 -8.167 -5.856 -5.627 1.00 0.00 C ATOM 391 O CYS A 29 -8.344 -5.489 -4.466 1.00 0.00 O ATOM 392 CB CYS A 29 -7.971 -3.777 -7.004 1.00 0.00 C ATOM 393 SG CYS A 29 -6.506 -3.964 -8.047 1.00 0.00 S ATOM 0 H CYS A 29 -10.341 -3.874 -6.117 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.683 -5.683 -7.693 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.630 -3.033 -7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.665 -3.389 -6.033 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.910 -2.815 -8.168 1.00 0.00 H new ATOM 399 N ASP A 30 -7.466 -6.939 -5.944 1.00 0.00 N ATOM 400 CA ASP A 30 -6.849 -7.777 -4.923 1.00 0.00 C ATOM 401 C ASP A 30 -5.406 -7.351 -4.668 1.00 0.00 C ATOM 402 O ASP A 30 -4.559 -7.427 -5.560 1.00 0.00 O ATOM 403 CB ASP A 30 -6.893 -9.247 -5.343 1.00 0.00 C ATOM 404 CG ASP A 30 -6.471 -9.450 -6.784 1.00 0.00 C ATOM 405 OD1 ASP A 30 -5.250 -9.518 -7.041 1.00 0.00 O ATOM 406 OD2 ASP A 30 -7.360 -9.541 -7.657 1.00 0.00 O ATOM 0 H ASP A 30 -7.311 -7.257 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.414 -7.654 -3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.240 -9.828 -4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.904 -9.631 -5.206 1.00 0.00 H new ATOM 411 N LEU A 31 -5.134 -6.902 -3.448 1.00 0.00 N ATOM 412 CA LEU A 31 -3.793 -6.463 -3.077 1.00 0.00 C ATOM 413 C LEU A 31 -3.032 -7.578 -2.368 1.00 0.00 C ATOM 414 O LEU A 31 -3.343 -7.930 -1.231 1.00 0.00 O ATOM 415 CB LEU A 31 -3.871 -5.230 -2.175 1.00 0.00 C ATOM 416 CG LEU A 31 -2.538 -4.564 -1.831 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.910 -3.954 -3.075 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.732 -3.506 -0.755 1.00 0.00 C ATOM 0 H LEU A 31 -5.823 -6.832 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.256 -6.205 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.509 -4.491 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.362 -5.516 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.862 -5.326 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.962 -3.485 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.735 -4.735 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.583 -3.204 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.773 -3.043 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.425 -2.745 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.137 -3.971 0.144 1.00 0.00 H new ATOM 430 N ASN A 32 -2.030 -8.129 -3.047 1.00 0.00 N ATOM 431 CA ASN A 32 -1.223 -9.203 -2.481 1.00 0.00 C ATOM 432 C ASN A 32 0.062 -8.653 -1.869 1.00 0.00 C ATOM 433 O ASN A 32 0.775 -7.869 -2.496 1.00 0.00 O ATOM 434 CB ASN A 32 -0.886 -10.237 -3.558 1.00 0.00 C ATOM 435 CG ASN A 32 -2.088 -11.073 -3.953 1.00 0.00 C ATOM 436 OD1 ASN A 32 -3.167 -10.942 -3.373 1.00 0.00 O ATOM 437 ND2 ASN A 32 -1.908 -11.937 -4.945 1.00 0.00 N ATOM 0 H ASN A 32 -1.758 -7.849 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.803 -9.684 -1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.497 -9.726 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.095 -10.892 -3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.681 -12.526 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.997 -12.012 -5.397 1.00 0.00 H new ATOM 444 N LEU A 33 0.352 -9.071 -0.642 1.00 0.00 N ATOM 445 CA LEU A 33 1.551 -8.622 0.056 1.00 0.00 C ATOM 446 C LEU A 33 2.310 -9.803 0.651 1.00 0.00 C ATOM 447 O LEU A 33 1.818 -10.932 0.657 1.00 0.00 O ATOM 448 CB LEU A 33 1.181 -7.630 1.161 1.00 0.00 C ATOM 449 CG LEU A 33 0.576 -6.305 0.698 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.380 -5.759 1.748 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.672 -5.294 0.395 1.00 0.00 C ATOM 0 H LEU A 33 -0.227 -9.720 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 33 2.198 -8.126 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.473 -8.114 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.077 -7.414 1.743 1.00 0.00 H new ATOM 0 HG LEU A 33 0.013 -6.485 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.801 -4.815 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.184 -6.475 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.159 -5.594 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.222 -4.357 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.263 -5.118 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.317 -5.682 -0.393 1.00 0.00 H new ATOM 463 N LYS A 34 3.511 -9.536 1.153 1.00 0.00 N ATOM 464 CA LYS A 34 4.338 -10.576 1.754 1.00 0.00 C ATOM 465 C LYS A 34 4.506 -10.340 3.252 1.00 0.00 C ATOM 466 O LYS A 34 5.455 -9.685 3.684 1.00 0.00 O ATOM 467 CB LYS A 34 5.710 -10.620 1.077 1.00 0.00 C ATOM 468 CG LYS A 34 5.646 -10.929 -0.409 1.00 0.00 C ATOM 469 CD LYS A 34 5.304 -12.387 -0.661 1.00 0.00 C ATOM 470 CE LYS A 34 4.774 -12.600 -2.071 1.00 0.00 C ATOM 471 NZ LYS A 34 3.322 -12.283 -2.171 1.00 0.00 N ATOM 0 H LYS A 34 3.934 -8.608 1.156 1.00 0.00 H new ATOM 0 HA LYS A 34 3.837 -11.533 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.207 -9.660 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.325 -11.373 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.899 -10.292 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.604 -10.694 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.191 -13.002 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.559 -12.717 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.331 -11.973 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.941 -13.635 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.999 -12.441 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.787 -12.898 -1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.165 -11.288 -1.911 1.00 0.00 H new ATOM 485 N ILE A 35 3.579 -10.877 4.038 1.00 0.00 N ATOM 486 CA ILE A 35 3.627 -10.727 5.487 1.00 0.00 C ATOM 487 C ILE A 35 3.958 -12.051 6.167 1.00 0.00 C ATOM 488 O ILE A 35 3.458 -13.112 5.792 1.00 0.00 O ATOM 489 CB ILE A 35 2.292 -10.197 6.042 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.965 -8.833 5.430 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.349 -10.103 7.559 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.482 -8.549 5.345 1.00 0.00 C ATOM 0 H ILE A 35 2.786 -11.420 3.696 1.00 0.00 H new ATOM 0 HA ILE A 35 4.414 -10.004 5.703 1.00 0.00 H new ATOM 0 HB ILE A 35 1.500 -10.895 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.443 -8.054 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.395 -8.780 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.398 -9.727 7.936 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.540 -11.091 7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.150 -9.424 7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.325 -7.566 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.001 -9.307 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.050 -8.569 6.345 1.00 0.00 H new ATOM 504 N PRO A 36 4.819 -11.991 7.193 1.00 0.00 N ATOM 505 CA PRO A 36 5.234 -13.176 7.949 1.00 0.00 C ATOM 506 C PRO A 36 4.106 -13.743 8.803 1.00 0.00 C ATOM 507 O PRO A 36 2.946 -13.361 8.648 1.00 0.00 O ATOM 508 CB PRO A 36 6.365 -12.651 8.838 1.00 0.00 C ATOM 509 CG PRO A 36 6.085 -11.196 8.988 1.00 0.00 C ATOM 510 CD PRO A 36 5.454 -10.760 7.694 1.00 0.00 C ATOM 0 HA PRO A 36 5.533 -13.994 7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.374 -13.154 9.805 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.340 -12.821 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.417 -11.012 9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.002 -10.640 9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.724 -9.966 7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.196 -10.377 6.994 1.00 0.00 H new ATOM 518 N GLU A 37 4.453 -14.658 9.703 1.00 0.00 N ATOM 519 CA GLU A 37 3.467 -15.278 10.581 1.00 0.00 C ATOM 520 C GLU A 37 2.549 -14.226 11.196 1.00 0.00 C ATOM 521 O GLU A 37 1.423 -14.526 11.593 1.00 0.00 O ATOM 522 CB GLU A 37 4.165 -16.072 11.687 1.00 0.00 C ATOM 523 CG GLU A 37 4.497 -17.501 11.294 1.00 0.00 C ATOM 524 CD GLU A 37 4.937 -18.344 12.475 1.00 0.00 C ATOM 525 OE1 GLU A 37 5.892 -17.939 13.171 1.00 0.00 O ATOM 526 OE2 GLU A 37 4.326 -19.409 12.704 1.00 0.00 O ATOM 0 H GLU A 37 5.409 -14.986 9.843 1.00 0.00 H new ATOM 0 HA GLU A 37 2.861 -15.958 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.085 -15.558 11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.527 -16.086 12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.623 -17.959 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.287 -17.493 10.544 1.00 0.00 H new ATOM 533 N ILE A 38 3.038 -12.993 11.272 1.00 0.00 N ATOM 534 CA ILE A 38 2.262 -11.897 11.838 1.00 0.00 C ATOM 535 C ILE A 38 0.782 -12.040 11.501 1.00 0.00 C ATOM 536 O ILE A 38 0.405 -12.108 10.332 1.00 0.00 O ATOM 537 CB ILE A 38 2.762 -10.532 11.330 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.131 -10.209 11.934 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.758 -9.440 11.668 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.797 -9.002 11.311 1.00 0.00 C ATOM 0 H ILE A 38 3.968 -12.728 10.949 1.00 0.00 H new ATOM 0 HA ILE A 38 2.393 -11.944 12.919 1.00 0.00 H new ATOM 0 HB ILE A 38 2.865 -10.580 10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.016 -10.038 13.004 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.784 -11.074 11.818 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.126 -8.481 11.302 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.802 -9.666 11.196 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.626 -9.389 12.749 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.762 -8.833 11.788 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.944 -9.177 10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.165 -8.125 11.450 1.00 0.00 H new ATOM 552 N ASN A 39 -0.053 -12.084 12.535 1.00 0.00 N ATOM 553 CA ASN A 39 -1.493 -12.218 12.349 1.00 0.00 C ATOM 554 C ASN A 39 -2.080 -10.958 11.720 1.00 0.00 C ATOM 555 O ASN A 39 -1.371 -9.978 11.491 1.00 0.00 O ATOM 556 CB ASN A 39 -2.178 -12.500 13.688 1.00 0.00 C ATOM 557 CG ASN A 39 -1.793 -13.850 14.261 1.00 0.00 C ATOM 558 OD1 ASN A 39 -1.468 -14.780 13.522 1.00 0.00 O ATOM 559 ND2 ASN A 39 -1.829 -13.964 15.583 1.00 0.00 N ATOM 0 H ASN A 39 0.243 -12.029 13.509 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.670 -13.056 11.675 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.914 -11.718 14.400 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.259 -12.459 13.556 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.581 -14.849 16.026 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.104 -13.167 16.156 1.00 0.00 H new ATOM 566 N SER A 40 -3.380 -10.991 11.444 1.00 0.00 N ATOM 567 CA SER A 40 -4.062 -9.853 10.839 1.00 0.00 C ATOM 568 C SER A 40 -4.746 -9.001 11.904 1.00 0.00 C ATOM 569 O SER A 40 -4.803 -7.776 11.793 1.00 0.00 O ATOM 570 CB SER A 40 -5.093 -10.334 9.816 1.00 0.00 C ATOM 571 OG SER A 40 -6.221 -10.903 10.457 1.00 0.00 O ATOM 0 H SER A 40 -3.982 -11.793 11.630 1.00 0.00 H new ATOM 0 HA SER A 40 -3.316 -9.241 10.332 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.409 -9.498 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.637 -11.070 9.154 1.00 0.00 H new ATOM 0 HG SER A 40 -6.865 -11.201 9.781 1.00 0.00 H new ATOM 577 N SER A 41 -5.264 -9.658 12.937 1.00 0.00 N ATOM 578 CA SER A 41 -5.948 -8.963 14.021 1.00 0.00 C ATOM 579 C SER A 41 -5.102 -7.804 14.542 1.00 0.00 C ATOM 580 O SER A 41 -5.618 -6.876 15.165 1.00 0.00 O ATOM 581 CB SER A 41 -6.260 -9.934 15.161 1.00 0.00 C ATOM 582 OG SER A 41 -7.381 -10.743 14.849 1.00 0.00 O ATOM 0 H SER A 41 -5.223 -10.671 13.046 1.00 0.00 H new ATOM 0 HA SER A 41 -6.883 -8.561 13.630 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.393 -10.566 15.352 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.454 -9.375 16.076 1.00 0.00 H new ATOM 0 HG SER A 41 -7.559 -11.356 15.592 1.00 0.00 H new ATOM 588 N ASP A 42 -3.801 -7.866 14.281 1.00 0.00 N ATOM 589 CA ASP A 42 -2.883 -6.823 14.722 1.00 0.00 C ATOM 590 C ASP A 42 -2.592 -5.842 13.591 1.00 0.00 C ATOM 591 O ASP A 42 -2.246 -4.685 13.832 1.00 0.00 O ATOM 592 CB ASP A 42 -1.578 -7.441 15.226 1.00 0.00 C ATOM 593 CG ASP A 42 -0.866 -6.555 16.229 1.00 0.00 C ATOM 594 OD1 ASP A 42 -1.302 -5.399 16.413 1.00 0.00 O ATOM 595 OD2 ASP A 42 0.126 -7.017 16.829 1.00 0.00 O ATOM 0 H ASP A 42 -3.359 -8.627 13.766 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.357 -6.278 15.539 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.790 -8.406 15.685 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.918 -7.629 14.379 1.00 0.00 H new ATOM 600 N MET A 43 -2.732 -6.312 12.356 1.00 0.00 N ATOM 601 CA MET A 43 -2.484 -5.476 11.187 1.00 0.00 C ATOM 602 C MET A 43 -3.650 -4.522 10.944 1.00 0.00 C ATOM 603 O MET A 43 -4.776 -4.782 11.368 1.00 0.00 O ATOM 604 CB MET A 43 -2.255 -6.346 9.950 1.00 0.00 C ATOM 605 CG MET A 43 -0.894 -7.023 9.926 1.00 0.00 C ATOM 606 SD MET A 43 -0.507 -7.748 8.322 1.00 0.00 S ATOM 607 CE MET A 43 -1.783 -8.998 8.197 1.00 0.00 C ATOM 0 H MET A 43 -3.016 -7.267 12.139 1.00 0.00 H new ATOM 0 HA MET A 43 -1.588 -4.885 11.377 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.032 -7.109 9.904 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.361 -5.729 9.058 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.126 -6.295 10.186 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.866 -7.802 10.688 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.687 -9.522 7.246 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.677 -9.709 9.016 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.763 -8.524 8.253 1.00 0.00 H new ATOM 617 N SER A 44 -3.372 -3.418 10.258 1.00 0.00 N ATOM 618 CA SER A 44 -4.397 -2.424 9.962 1.00 0.00 C ATOM 619 C SER A 44 -4.174 -1.807 8.584 1.00 0.00 C ATOM 620 O SER A 44 -3.145 -1.181 8.332 1.00 0.00 O ATOM 621 CB SER A 44 -4.398 -1.328 11.029 1.00 0.00 C ATOM 622 OG SER A 44 -4.951 -1.801 12.245 1.00 0.00 O ATOM 0 H SER A 44 -2.446 -3.189 9.897 1.00 0.00 H new ATOM 0 HA SER A 44 -5.365 -2.925 9.965 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.379 -0.981 11.200 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.971 -0.471 10.674 1.00 0.00 H new ATOM 0 HG SER A 44 -4.939 -1.082 12.911 1.00 0.00 H new ATOM 628 N ALA A 45 -5.146 -1.990 7.696 1.00 0.00 N ATOM 629 CA ALA A 45 -5.058 -1.451 6.345 1.00 0.00 C ATOM 630 C ALA A 45 -6.126 -0.389 6.107 1.00 0.00 C ATOM 631 O ALA A 45 -7.267 -0.533 6.546 1.00 0.00 O ATOM 632 CB ALA A 45 -5.185 -2.570 5.321 1.00 0.00 C ATOM 0 H ALA A 45 -6.004 -2.508 7.888 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.082 -0.979 6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.118 -2.153 4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.382 -3.292 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.147 -3.068 5.443 1.00 0.00 H new ATOM 638 N HIS A 46 -5.748 0.678 5.410 1.00 0.00 N ATOM 639 CA HIS A 46 -6.674 1.765 5.113 1.00 0.00 C ATOM 640 C HIS A 46 -6.283 2.475 3.821 1.00 0.00 C ATOM 641 O HIS A 46 -5.103 2.713 3.564 1.00 0.00 O ATOM 642 CB HIS A 46 -6.706 2.765 6.269 1.00 0.00 C ATOM 643 CG HIS A 46 -7.154 2.166 7.567 1.00 0.00 C ATOM 644 ND1 HIS A 46 -6.276 1.707 8.527 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.396 1.954 8.063 1.00 0.00 C ATOM 646 CE1 HIS A 46 -6.959 1.237 9.555 1.00 0.00 C ATOM 647 NE2 HIS A 46 -8.247 1.375 9.299 1.00 0.00 N ATOM 0 H HIS A 46 -4.807 0.813 5.040 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.668 1.337 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.711 3.190 6.399 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.372 3.588 6.009 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.259 1.727 8.454 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.330 2.195 7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.536 0.812 10.453 1.00 0.00 H new ATOM 655 N VAL A 47 -7.281 2.811 3.010 1.00 0.00 N ATOM 656 CA VAL A 47 -7.042 3.495 1.745 1.00 0.00 C ATOM 657 C VAL A 47 -7.194 5.004 1.898 1.00 0.00 C ATOM 658 O VAL A 47 -8.307 5.519 2.009 1.00 0.00 O ATOM 659 CB VAL A 47 -8.005 3.001 0.649 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.918 3.893 -0.580 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.705 1.553 0.290 1.00 0.00 C ATOM 0 H VAL A 47 -8.264 2.620 3.207 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.018 3.265 1.450 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.023 3.052 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.605 3.529 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.186 4.914 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.900 3.877 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.395 1.220 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.681 1.473 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.824 0.927 1.174 1.00 0.00 H new ATOM 671 N THR A 48 -6.067 5.709 1.902 1.00 0.00 N ATOM 672 CA THR A 48 -6.075 7.160 2.042 1.00 0.00 C ATOM 673 C THR A 48 -6.459 7.837 0.731 1.00 0.00 C ATOM 674 O THR A 48 -5.981 7.457 -0.338 1.00 0.00 O ATOM 675 CB THR A 48 -4.700 7.688 2.496 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.271 6.991 3.671 1.00 0.00 O ATOM 677 CG2 THR A 48 -4.761 9.181 2.779 1.00 0.00 C ATOM 0 H THR A 48 -5.138 5.299 1.810 1.00 0.00 H new ATOM 0 HA THR A 48 -6.818 7.400 2.803 1.00 0.00 H new ATOM 0 HB THR A 48 -3.985 7.516 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.396 7.331 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.779 9.531 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.059 9.711 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.488 9.372 3.568 1.00 0.00 H new ATOM 685 N SER A 49 -7.324 8.842 0.821 1.00 0.00 N ATOM 686 CA SER A 49 -7.775 9.570 -0.359 1.00 0.00 C ATOM 687 C SER A 49 -6.921 10.813 -0.590 1.00 0.00 C ATOM 688 O SER A 49 -6.386 11.412 0.343 1.00 0.00 O ATOM 689 CB SER A 49 -9.245 9.968 -0.208 1.00 0.00 C ATOM 690 OG SER A 49 -10.046 8.846 0.118 1.00 0.00 O ATOM 0 H SER A 49 -7.726 9.171 1.699 1.00 0.00 H new ATOM 0 HA SER A 49 -7.671 8.913 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.342 10.726 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.601 10.416 -1.136 1.00 0.00 H new ATOM 0 HG SER A 49 -9.925 8.621 1.064 1.00 0.00 H new ATOM 696 N PRO A 50 -6.788 11.210 -1.864 1.00 0.00 N ATOM 697 CA PRO A 50 -6.000 12.385 -2.249 1.00 0.00 C ATOM 698 C PRO A 50 -6.653 13.691 -1.807 1.00 0.00 C ATOM 699 O PRO A 50 -6.141 14.776 -2.082 1.00 0.00 O ATOM 700 CB PRO A 50 -5.958 12.299 -3.777 1.00 0.00 C ATOM 701 CG PRO A 50 -7.175 11.523 -4.146 1.00 0.00 C ATOM 702 CD PRO A 50 -7.397 10.544 -3.027 1.00 0.00 C ATOM 0 HA PRO A 50 -5.015 12.387 -1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.968 13.290 -4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.051 11.801 -4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.036 12.181 -4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.035 11.006 -5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.458 10.349 -2.868 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.924 9.584 -3.233 1.00 0.00 H new ATOM 710 N SER A 51 -7.785 13.578 -1.119 1.00 0.00 N ATOM 711 CA SER A 51 -8.509 14.750 -0.642 1.00 0.00 C ATOM 712 C SER A 51 -8.486 14.820 0.882 1.00 0.00 C ATOM 713 O SER A 51 -8.838 15.839 1.474 1.00 0.00 O ATOM 714 CB SER A 51 -9.955 14.720 -1.140 1.00 0.00 C ATOM 715 OG SER A 51 -10.634 13.569 -0.667 1.00 0.00 O ATOM 0 H SER A 51 -8.220 12.687 -0.880 1.00 0.00 H new ATOM 0 HA SER A 51 -8.014 15.637 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.477 15.617 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.968 14.731 -2.230 1.00 0.00 H new ATOM 0 HG SER A 51 -11.206 13.211 -1.378 1.00 0.00 H new ATOM 721 N GLY A 52 -8.067 13.726 1.512 1.00 0.00 N ATOM 722 CA GLY A 52 -8.005 13.682 2.961 1.00 0.00 C ATOM 723 C GLY A 52 -8.919 12.626 3.549 1.00 0.00 C ATOM 724 O GLY A 52 -8.825 12.304 4.734 1.00 0.00 O ATOM 0 H GLY A 52 -7.770 12.870 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.979 13.484 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.277 14.658 3.363 1.00 0.00 H new ATOM 728 N ARG A 53 -9.807 12.086 2.721 1.00 0.00 N ATOM 729 CA ARG A 53 -10.743 11.061 3.166 1.00 0.00 C ATOM 730 C ARG A 53 -10.039 9.719 3.339 1.00 0.00 C ATOM 731 O ARG A 53 -9.297 9.277 2.461 1.00 0.00 O ATOM 732 CB ARG A 53 -11.893 10.922 2.166 1.00 0.00 C ATOM 733 CG ARG A 53 -13.066 11.844 2.455 1.00 0.00 C ATOM 734 CD ARG A 53 -14.013 11.928 1.268 1.00 0.00 C ATOM 735 NE ARG A 53 -13.550 12.884 0.265 1.00 0.00 N ATOM 736 CZ ARG A 53 -14.319 13.357 -0.709 1.00 0.00 C ATOM 737 NH1 ARG A 53 -15.581 12.965 -0.812 1.00 0.00 N ATOM 738 NH2 ARG A 53 -13.826 14.225 -1.583 1.00 0.00 N ATOM 0 H ARG A 53 -9.898 12.342 1.738 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.145 11.367 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.518 11.128 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.244 9.890 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.608 11.483 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.696 12.840 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.111 10.943 0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.005 12.218 1.615 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.583 13.206 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.964 12.298 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.169 13.330 -1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.856 14.530 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.417 14.588 -2.331 1.00 0.00 H new ATOM 752 N VAL A 54 -10.277 9.074 4.477 1.00 0.00 N ATOM 753 CA VAL A 54 -9.666 7.781 4.764 1.00 0.00 C ATOM 754 C VAL A 54 -10.698 6.661 4.703 1.00 0.00 C ATOM 755 O VAL A 54 -11.849 6.838 5.101 1.00 0.00 O ATOM 756 CB VAL A 54 -8.997 7.773 6.152 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.434 6.396 6.465 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.908 8.833 6.224 1.00 0.00 C ATOM 0 H VAL A 54 -10.888 9.425 5.214 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.906 7.613 4.001 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.752 8.009 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.965 6.410 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.241 5.663 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.692 6.127 5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.446 8.814 7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.152 8.630 5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.345 9.816 6.047 1.00 0.00 H new ATOM 768 N THR A 55 -10.277 5.503 4.201 1.00 0.00 N ATOM 769 CA THR A 55 -11.164 4.353 4.086 1.00 0.00 C ATOM 770 C THR A 55 -10.555 3.121 4.748 1.00 0.00 C ATOM 771 O THR A 55 -9.366 3.100 5.064 1.00 0.00 O ATOM 772 CB THR A 55 -11.475 4.028 2.613 1.00 0.00 C ATOM 773 OG1 THR A 55 -11.455 5.228 1.832 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.833 3.355 2.483 1.00 0.00 C ATOM 0 H THR A 55 -9.327 5.338 3.868 1.00 0.00 H new ATOM 0 HA THR A 55 -12.091 4.617 4.596 1.00 0.00 H new ATOM 0 HB THR A 55 -10.711 3.343 2.245 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.527 5.506 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.031 3.135 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.836 2.427 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.607 4.020 2.867 1.00 0.00 H new ATOM 782 N GLU A 56 -11.378 2.098 4.954 1.00 0.00 N ATOM 783 CA GLU A 56 -10.919 0.863 5.579 1.00 0.00 C ATOM 784 C GLU A 56 -11.001 -0.305 4.600 1.00 0.00 C ATOM 785 O GLU A 56 -11.876 -0.344 3.735 1.00 0.00 O ATOM 786 CB GLU A 56 -11.751 0.557 6.826 1.00 0.00 C ATOM 787 CG GLU A 56 -10.999 -0.241 7.878 1.00 0.00 C ATOM 788 CD GLU A 56 -11.925 -1.028 8.786 1.00 0.00 C ATOM 789 OE1 GLU A 56 -12.912 -1.598 8.275 1.00 0.00 O ATOM 790 OE2 GLU A 56 -11.663 -1.073 10.006 1.00 0.00 O ATOM 0 H GLU A 56 -12.365 2.100 4.698 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.877 0.998 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.089 1.495 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.643 0.004 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.310 -0.927 7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.396 0.438 8.481 1.00 0.00 H new ATOM 797 N ALA A 57 -10.082 -1.254 4.743 1.00 0.00 N ATOM 798 CA ALA A 57 -10.051 -2.424 3.874 1.00 0.00 C ATOM 799 C ALA A 57 -10.040 -3.713 4.688 1.00 0.00 C ATOM 800 O ALA A 57 -9.755 -3.699 5.885 1.00 0.00 O ATOM 801 CB ALA A 57 -8.838 -2.367 2.956 1.00 0.00 C ATOM 0 H ALA A 57 -9.349 -1.236 5.452 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.955 -2.418 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.827 -3.247 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.889 -1.468 2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.928 -2.345 3.556 1.00 0.00 H new ATOM 807 N GLU A 58 -10.352 -4.826 4.031 1.00 0.00 N ATOM 808 CA GLU A 58 -10.380 -6.123 4.696 1.00 0.00 C ATOM 809 C GLU A 58 -9.201 -6.986 4.253 1.00 0.00 C ATOM 810 O GLU A 58 -8.797 -6.954 3.091 1.00 0.00 O ATOM 811 CB GLU A 58 -11.695 -6.846 4.398 1.00 0.00 C ATOM 812 CG GLU A 58 -11.727 -8.281 4.896 1.00 0.00 C ATOM 813 CD GLU A 58 -12.130 -8.384 6.354 1.00 0.00 C ATOM 814 OE1 GLU A 58 -13.346 -8.364 6.637 1.00 0.00 O ATOM 815 OE2 GLU A 58 -11.229 -8.485 7.212 1.00 0.00 O ATOM 0 H GLU A 58 -10.589 -4.855 3.039 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.302 -5.954 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.516 -6.293 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.867 -6.840 3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.425 -8.857 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.743 -8.730 4.762 1.00 0.00 H new ATOM 822 N ILE A 59 -8.655 -7.755 5.189 1.00 0.00 N ATOM 823 CA ILE A 59 -7.524 -8.626 4.897 1.00 0.00 C ATOM 824 C ILE A 59 -7.945 -10.092 4.895 1.00 0.00 C ATOM 825 O ILE A 59 -7.961 -10.745 5.939 1.00 0.00 O ATOM 826 CB ILE A 59 -6.385 -8.432 5.915 1.00 0.00 C ATOM 827 CG1 ILE A 59 -5.927 -6.972 5.928 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.220 -9.355 5.590 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.388 -6.520 7.267 1.00 0.00 C ATOM 0 H ILE A 59 -8.978 -7.792 6.156 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.164 -8.352 3.905 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.758 -8.686 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.156 -6.835 5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.766 -6.334 5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.423 -9.206 6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.556 -10.391 5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.845 -9.130 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.082 -5.476 7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.164 -6.625 8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.529 -7.133 7.539 1.00 0.00 H new ATOM 841 N VAL A 60 -8.283 -10.604 3.716 1.00 0.00 N ATOM 842 CA VAL A 60 -8.702 -11.993 3.578 1.00 0.00 C ATOM 843 C VAL A 60 -7.563 -12.947 3.920 1.00 0.00 C ATOM 844 O VAL A 60 -6.447 -12.827 3.414 1.00 0.00 O ATOM 845 CB VAL A 60 -9.195 -12.291 2.149 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.808 -13.681 2.075 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.192 -11.235 1.699 1.00 0.00 C ATOM 0 H VAL A 60 -8.275 -10.077 2.843 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.524 -12.147 4.278 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.340 -12.261 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.151 -13.874 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.060 -14.424 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.653 -13.743 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.530 -11.461 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.047 -11.231 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.715 -10.255 1.712 1.00 0.00 H new ATOM 857 N PRO A 61 -7.848 -13.919 4.799 1.00 0.00 N ATOM 858 CA PRO A 61 -6.861 -14.914 5.228 1.00 0.00 C ATOM 859 C PRO A 61 -6.502 -15.892 4.115 1.00 0.00 C ATOM 860 O PRO A 61 -7.220 -16.861 3.873 1.00 0.00 O ATOM 861 CB PRO A 61 -7.567 -15.643 6.374 1.00 0.00 C ATOM 862 CG PRO A 61 -9.020 -15.469 6.095 1.00 0.00 C ATOM 863 CD PRO A 61 -9.158 -14.122 5.442 1.00 0.00 C ATOM 0 HA PRO A 61 -5.916 -14.453 5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.293 -16.698 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.296 -15.218 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.389 -16.259 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.603 -15.518 7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.969 -14.109 4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.373 -13.342 6.172 1.00 0.00 H new ATOM 871 N MET A 62 -5.387 -15.631 3.441 1.00 0.00 N ATOM 872 CA MET A 62 -4.932 -16.490 2.354 1.00 0.00 C ATOM 873 C MET A 62 -4.418 -17.822 2.892 1.00 0.00 C ATOM 874 O MET A 62 -5.058 -18.859 2.723 1.00 0.00 O ATOM 875 CB MET A 62 -3.832 -15.793 1.550 1.00 0.00 C ATOM 876 CG MET A 62 -4.364 -14.845 0.488 1.00 0.00 C ATOM 877 SD MET A 62 -3.267 -14.712 -0.937 1.00 0.00 S ATOM 878 CE MET A 62 -2.070 -13.525 -0.332 1.00 0.00 C ATOM 0 H MET A 62 -4.782 -14.832 3.628 1.00 0.00 H new ATOM 0 HA MET A 62 -5.782 -16.686 1.700 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.191 -15.237 2.234 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.209 -16.548 1.072 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.344 -15.190 0.157 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.505 -13.857 0.926 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.099 -13.725 -0.784 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.392 -12.517 -0.595 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.990 -13.609 0.752 1.00 0.00 H new ATOM 888 N GLY A 63 -3.259 -17.785 3.542 1.00 0.00 N ATOM 889 CA GLY A 63 -2.679 -18.995 4.094 1.00 0.00 C ATOM 890 C GLY A 63 -1.460 -18.716 4.951 1.00 0.00 C ATOM 891 O GLY A 63 -1.503 -17.877 5.850 1.00 0.00 O ATOM 0 H GLY A 63 -2.711 -16.938 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.429 -19.513 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.401 -19.665 3.280 1.00 0.00 H new ATOM 895 N LYS A 64 -0.369 -19.422 4.673 1.00 0.00 N ATOM 896 CA LYS A 64 0.868 -19.247 5.424 1.00 0.00 C ATOM 897 C LYS A 64 1.595 -17.980 4.988 1.00 0.00 C ATOM 898 O LYS A 64 1.889 -17.797 3.807 1.00 0.00 O ATOM 899 CB LYS A 64 1.780 -20.462 5.235 1.00 0.00 C ATOM 900 CG LYS A 64 2.208 -20.682 3.795 1.00 0.00 C ATOM 901 CD LYS A 64 2.641 -22.119 3.555 1.00 0.00 C ATOM 902 CE LYS A 64 3.371 -22.267 2.229 1.00 0.00 C ATOM 903 NZ LYS A 64 4.474 -21.277 2.089 1.00 0.00 N ATOM 0 H LYS A 64 -0.317 -20.121 3.932 1.00 0.00 H new ATOM 0 HA LYS A 64 0.612 -19.153 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.668 -20.339 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.263 -21.353 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.383 -20.433 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.029 -20.008 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.290 -22.445 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.767 -22.770 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.776 -23.276 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.664 -22.141 1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.172 -21.630 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.087 -20.372 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.934 -21.137 3.011 1.00 0.00 H new ATOM 917 N ASN A 65 1.883 -17.107 5.948 1.00 0.00 N ATOM 918 CA ASN A 65 2.577 -15.857 5.662 1.00 0.00 C ATOM 919 C ASN A 65 2.003 -15.189 4.416 1.00 0.00 C ATOM 920 O ASN A 65 2.713 -14.494 3.690 1.00 0.00 O ATOM 921 CB ASN A 65 4.074 -16.112 5.475 1.00 0.00 C ATOM 922 CG ASN A 65 4.351 -17.381 4.694 1.00 0.00 C ATOM 923 OD1 ASN A 65 4.435 -17.362 3.466 1.00 0.00 O ATOM 924 ND2 ASN A 65 4.494 -18.494 5.404 1.00 0.00 N ATOM 0 H ASN A 65 1.646 -17.242 6.931 1.00 0.00 H new ATOM 0 HA ASN A 65 2.433 -15.188 6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.522 -15.264 4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.553 -16.178 6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.681 -19.379 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.417 -18.464 6.421 1.00 0.00 H new ATOM 931 N SER A 66 0.714 -15.406 4.176 1.00 0.00 N ATOM 932 CA SER A 66 0.045 -14.828 3.016 1.00 0.00 C ATOM 933 C SER A 66 -1.202 -14.056 3.437 1.00 0.00 C ATOM 934 O SER A 66 -1.953 -14.495 4.309 1.00 0.00 O ATOM 935 CB SER A 66 -0.332 -15.925 2.019 1.00 0.00 C ATOM 936 OG SER A 66 0.823 -16.564 1.503 1.00 0.00 O ATOM 0 H SER A 66 0.112 -15.978 4.769 1.00 0.00 H new ATOM 0 HA SER A 66 0.736 -14.134 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.971 -16.661 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.909 -15.494 1.201 1.00 0.00 H new ATOM 0 HG SER A 66 1.287 -17.034 2.227 1.00 0.00 H new ATOM 942 N HIS A 67 -1.417 -12.904 2.810 1.00 0.00 N ATOM 943 CA HIS A 67 -2.574 -12.070 3.118 1.00 0.00 C ATOM 944 C HIS A 67 -3.020 -11.284 1.889 1.00 0.00 C ATOM 945 O HIS A 67 -2.194 -10.738 1.156 1.00 0.00 O ATOM 946 CB HIS A 67 -2.247 -11.110 4.262 1.00 0.00 C ATOM 947 CG HIS A 67 -2.197 -11.771 5.604 1.00 0.00 C ATOM 948 ND1 HIS A 67 -3.321 -12.019 6.364 1.00 0.00 N ATOM 949 CD2 HIS A 67 -1.149 -12.240 6.322 1.00 0.00 C ATOM 950 CE1 HIS A 67 -2.967 -12.609 7.491 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.654 -12.755 7.491 1.00 0.00 N ATOM 0 H HIS A 67 -0.806 -12.527 2.086 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.391 -12.723 3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.286 -10.636 4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.995 -10.317 4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.110 -12.214 6.030 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.637 -12.920 8.279 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.105 -13.181 8.238 1.00 0.00 H new ATOM 959 N CYS A 68 -4.329 -11.231 1.669 1.00 0.00 N ATOM 960 CA CYS A 68 -4.884 -10.513 0.528 1.00 0.00 C ATOM 961 C CYS A 68 -5.909 -9.479 0.982 1.00 0.00 C ATOM 962 O CYS A 68 -6.701 -9.732 1.890 1.00 0.00 O ATOM 963 CB CYS A 68 -5.530 -11.493 -0.453 1.00 0.00 C ATOM 964 SG CYS A 68 -5.802 -10.812 -2.106 1.00 0.00 S ATOM 0 H CYS A 68 -5.026 -11.677 2.266 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.068 -9.993 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.898 -12.377 -0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.486 -11.821 -0.045 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.789 -11.103 -2.867 1.00 0.00 H new ATOM 970 N VAL A 69 -5.887 -8.313 0.345 1.00 0.00 N ATOM 971 CA VAL A 69 -6.814 -7.239 0.684 1.00 0.00 C ATOM 972 C VAL A 69 -7.635 -6.818 -0.530 1.00 0.00 C ATOM 973 O VAL A 69 -7.090 -6.336 -1.523 1.00 0.00 O ATOM 974 CB VAL A 69 -6.071 -6.010 1.240 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.053 -5.024 1.853 1.00 0.00 C ATOM 976 CG2 VAL A 69 -5.025 -6.436 2.258 1.00 0.00 C ATOM 0 H VAL A 69 -5.238 -8.088 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.482 -7.628 1.453 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.561 -5.512 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.509 -4.162 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.761 -4.695 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.594 -5.507 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.510 -5.555 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.511 -6.959 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.304 -7.100 1.782 1.00 0.00 H new ATOM 986 N ARG A 70 -8.948 -7.003 -0.443 1.00 0.00 N ATOM 987 CA ARG A 70 -9.844 -6.642 -1.535 1.00 0.00 C ATOM 988 C ARG A 70 -10.604 -5.359 -1.213 1.00 0.00 C ATOM 989 O ARG A 70 -11.276 -5.264 -0.186 1.00 0.00 O ATOM 990 CB ARG A 70 -10.832 -7.778 -1.808 1.00 0.00 C ATOM 991 CG ARG A 70 -11.722 -8.110 -0.621 1.00 0.00 C ATOM 992 CD ARG A 70 -12.414 -9.452 -0.803 1.00 0.00 C ATOM 993 NE ARG A 70 -13.664 -9.528 -0.051 1.00 0.00 N ATOM 994 CZ ARG A 70 -14.811 -9.011 -0.477 1.00 0.00 C ATOM 995 NH1 ARG A 70 -14.866 -8.383 -1.643 1.00 0.00 N ATOM 996 NH2 ARG A 70 -15.906 -9.122 0.265 1.00 0.00 N ATOM 0 H ARG A 70 -9.415 -7.401 0.372 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.240 -6.472 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.459 -7.506 -2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.276 -8.670 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.124 -8.128 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.470 -7.327 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.617 -9.615 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.747 -10.251 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.656 -10.004 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.026 -8.296 -2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.748 -7.987 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.867 -9.604 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.786 -8.725 -0.063 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.492 -4.374 -2.098 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.167 -3.095 -1.908 1.00 0.00 C ATOM 1012 C PHE A 71 -11.298 -2.347 -3.231 1.00 0.00 C ATOM 1013 O PHE A 71 -10.653 -2.695 -4.220 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.404 -2.236 -0.897 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.981 -1.965 -1.295 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -7.982 -2.882 -1.014 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -8.643 -0.791 -1.950 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -6.672 -2.635 -1.380 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -7.335 -0.539 -2.318 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.348 -1.462 -2.032 1.00 0.00 C ATOM 0 H PHE A 71 -9.940 -4.437 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.167 -3.295 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.925 -1.287 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.413 -2.735 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.229 -3.801 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.410 -0.065 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.903 -3.359 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.085 0.379 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.325 -1.266 -2.318 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.140 -1.318 -3.242 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.356 -0.520 -4.442 1.00 0.00 C ATOM 1032 C VAL A 72 -11.642 0.823 -4.346 1.00 0.00 C ATOM 1033 O VAL A 72 -12.170 1.799 -3.812 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.857 -0.274 -4.690 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -14.106 0.085 -6.147 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.670 -1.495 -4.287 1.00 0.00 C ATOM 0 H VAL A 72 -12.684 -1.018 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.945 -1.088 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.176 0.567 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.171 0.255 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.553 0.990 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.772 -0.733 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.728 -1.304 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.350 -2.355 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.515 -1.702 -3.228 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.410 0.878 -4.875 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.597 2.097 -4.862 1.00 0.00 C ATOM 1048 C PRO A 73 -10.149 3.173 -5.790 1.00 0.00 C ATOM 1049 O PRO A 73 -9.684 3.330 -6.918 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.229 1.616 -5.354 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.525 0.405 -6.170 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.718 -0.246 -5.527 1.00 0.00 C ATOM 0 HA PRO A 73 -9.572 2.560 -3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.730 2.382 -5.948 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.569 1.380 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.738 0.674 -7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.672 -0.273 -6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.354 -0.736 -6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.420 -1.007 -4.806 1.00 0.00 H new ATOM 1060 N GLN A 74 -11.144 3.911 -5.307 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.759 4.972 -6.095 1.00 0.00 C ATOM 1062 C GLN A 74 -11.494 6.338 -5.470 1.00 0.00 C ATOM 1063 O GLN A 74 -11.982 6.638 -4.382 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.266 4.738 -6.216 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.639 3.722 -7.284 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.076 3.253 -7.166 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.459 2.810 -5.974 1.00 0.00 O flip ATOM 1068 NE2 GLN A 74 -15.835 3.288 -8.135 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.541 3.793 -4.375 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.314 4.955 -7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.651 4.400 -5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.756 5.686 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.484 4.162 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.973 2.862 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.500 3.636 -9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.799 2.969 -8.039 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.716 7.161 -6.167 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.386 8.495 -5.679 1.00 0.00 C ATOM 1079 C GLU A 75 -10.357 9.502 -6.825 1.00 0.00 C ATOM 1080 O GLU A 75 -10.592 9.150 -7.980 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.032 8.480 -4.965 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.031 7.667 -3.681 1.00 0.00 C ATOM 1083 CD GLU A 75 -10.175 8.034 -2.756 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -10.653 9.186 -2.833 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -10.592 7.172 -1.955 1.00 0.00 O ATOM 0 H GLU A 75 -10.303 6.928 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.159 8.797 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.278 8.077 -5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.740 9.505 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.094 6.607 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.085 7.818 -3.161 1.00 0.00 H new ATOM 1092 N MET A 76 -10.067 10.757 -6.495 1.00 0.00 N ATOM 1093 CA MET A 76 -10.007 11.815 -7.496 1.00 0.00 C ATOM 1094 C MET A 76 -8.561 12.164 -7.832 1.00 0.00 C ATOM 1095 O MET A 76 -8.295 13.135 -8.539 1.00 0.00 O ATOM 1096 CB MET A 76 -10.742 13.061 -6.997 1.00 0.00 C ATOM 1097 CG MET A 76 -12.248 12.879 -6.896 1.00 0.00 C ATOM 1098 SD MET A 76 -13.145 14.439 -7.002 1.00 0.00 S ATOM 1099 CE MET A 76 -14.785 13.858 -7.429 1.00 0.00 C ATOM 0 H MET A 76 -9.870 11.065 -5.543 1.00 0.00 H new ATOM 0 HA MET A 76 -10.494 11.453 -8.401 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.351 13.335 -6.017 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.529 13.892 -7.669 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.584 12.216 -7.693 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.488 12.390 -5.952 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.458 14.710 -7.530 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.744 13.314 -8.373 1.00 0.00 H new ATOM 0 HE3 MET A 76 -15.152 13.197 -6.644 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.630 11.365 -7.320 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.222 11.607 -7.577 1.00 0.00 C ATOM 1111 C GLY A 77 -5.378 10.359 -7.405 1.00 0.00 C ATOM 1112 O GLY A 77 -5.546 9.382 -8.135 1.00 0.00 O ATOM 0 H GLY A 77 -7.825 10.555 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.101 11.987 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.861 12.382 -6.901 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.467 10.391 -6.438 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.593 9.255 -6.173 1.00 0.00 C ATOM 1118 C VAL A 78 -4.106 8.430 -4.998 1.00 0.00 C ATOM 1119 O VAL A 78 -4.705 8.964 -4.064 1.00 0.00 O ATOM 1120 CB VAL A 78 -2.153 9.711 -5.875 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -2.141 10.754 -4.768 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.282 8.520 -5.506 1.00 0.00 C ATOM 0 H VAL A 78 -4.315 11.192 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.592 8.640 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.742 10.167 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.115 11.064 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.729 11.619 -5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.571 10.328 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.268 8.861 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.689 8.032 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.264 7.812 -6.334 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.867 7.123 -5.050 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.304 6.223 -3.989 1.00 0.00 C ATOM 1134 C HIS A 79 -3.121 5.771 -3.138 1.00 0.00 C ATOM 1135 O HIS A 79 -2.043 5.479 -3.659 1.00 0.00 O ATOM 1136 CB HIS A 79 -5.014 5.006 -4.583 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.203 5.358 -5.423 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.139 6.227 -6.492 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.492 4.951 -5.348 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.338 6.341 -7.036 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.176 5.576 -6.361 1.00 0.00 N ATOM 0 H HIS A 79 -3.373 6.664 -5.816 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.002 6.766 -3.351 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.305 4.442 -5.189 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.333 4.350 -3.773 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.298 6.707 -6.813 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.905 4.263 -4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.590 6.955 -7.888 1.00 0.00 H new ATOM 1149 N THR A 80 -3.328 5.716 -1.826 1.00 0.00 N ATOM 1150 CA THR A 80 -2.278 5.302 -0.903 1.00 0.00 C ATOM 1151 C THR A 80 -2.819 4.341 0.149 1.00 0.00 C ATOM 1152 O THR A 80 -3.852 4.599 0.767 1.00 0.00 O ATOM 1153 CB THR A 80 -1.641 6.513 -0.197 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.153 7.446 -1.168 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.501 6.073 0.709 1.00 0.00 C ATOM 0 H THR A 80 -4.213 5.953 -1.378 1.00 0.00 H new ATOM 0 HA THR A 80 -1.517 4.796 -1.497 1.00 0.00 H new ATOM 0 HB THR A 80 -2.405 6.993 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.751 8.214 -0.711 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.066 6.945 1.197 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.881 5.386 1.465 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.263 5.571 0.115 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.115 3.232 0.349 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.524 2.232 1.329 1.00 0.00 C ATOM 1165 C VAL A 81 -1.679 2.326 2.595 1.00 0.00 C ATOM 1166 O VAL A 81 -0.472 2.085 2.567 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.415 0.807 0.756 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -3.285 -0.156 1.549 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -2.797 0.794 -0.716 1.00 0.00 C ATOM 0 H VAL A 81 -1.258 3.003 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.566 2.437 1.575 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.379 0.478 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.195 -1.158 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.960 -0.168 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.325 0.167 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.714 -0.221 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.823 1.143 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.127 1.451 -1.271 1.00 0.00 H new ATOM 1179 N SER A 82 -2.322 2.677 3.704 1.00 0.00 N ATOM 1180 CA SER A 82 -1.629 2.805 4.980 1.00 0.00 C ATOM 1181 C SER A 82 -1.686 1.497 5.763 1.00 0.00 C ATOM 1182 O SER A 82 -2.713 1.155 6.349 1.00 0.00 O ATOM 1183 CB SER A 82 -2.246 3.935 5.808 1.00 0.00 C ATOM 1184 OG SER A 82 -1.925 5.202 5.260 1.00 0.00 O ATOM 0 H SER A 82 -3.321 2.878 3.744 1.00 0.00 H new ATOM 0 HA SER A 82 -0.585 3.041 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.329 3.814 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.885 3.877 6.835 1.00 0.00 H new ATOM 0 HG SER A 82 -2.720 5.585 4.833 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.573 0.769 5.769 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.494 -0.501 6.480 1.00 0.00 C ATOM 1192 C VAL A 83 0.553 -0.447 7.586 1.00 0.00 C ATOM 1193 O VAL A 83 1.732 -0.200 7.330 1.00 0.00 O ATOM 1194 CB VAL A 83 -0.155 -1.659 5.523 1.00 0.00 C ATOM 1195 CG1 VAL A 83 -0.354 -2.999 6.215 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.999 -1.572 4.261 1.00 0.00 C ATOM 0 H VAL A 83 0.286 1.038 5.289 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.475 -0.679 6.921 1.00 0.00 H new ATOM 0 HB VAL A 83 0.894 -1.576 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.110 -3.805 5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.298 -3.059 7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.393 -3.094 6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.746 -2.398 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.055 -1.629 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.802 -0.626 3.756 1.00 0.00 H new ATOM 1206 N LYS A 84 0.116 -0.679 8.819 1.00 0.00 N ATOM 1207 CA LYS A 84 1.015 -0.660 9.967 1.00 0.00 C ATOM 1208 C LYS A 84 0.696 -1.800 10.928 1.00 0.00 C ATOM 1209 O LYS A 84 -0.461 -2.191 11.081 1.00 0.00 O ATOM 1210 CB LYS A 84 0.912 0.681 10.698 1.00 0.00 C ATOM 1211 CG LYS A 84 1.421 1.858 9.884 1.00 0.00 C ATOM 1212 CD LYS A 84 1.305 3.162 10.657 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.055 3.810 10.454 1.00 0.00 C ATOM 1214 NZ LYS A 84 -1.049 3.341 11.460 1.00 0.00 N ATOM 0 H LYS A 84 -0.857 -0.883 9.049 1.00 0.00 H new ATOM 0 HA LYS A 84 2.033 -0.792 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.129 0.859 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.477 0.622 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.462 1.688 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.854 1.932 8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.464 2.972 11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.088 3.848 10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.045 4.893 10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.419 3.584 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.855 2.900 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.603 2.645 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.385 4.151 12.020 1.00 0.00 H new ATOM 1228 N TYR A 85 1.729 -2.330 11.574 1.00 0.00 N ATOM 1229 CA TYR A 85 1.558 -3.427 12.519 1.00 0.00 C ATOM 1230 C TYR A 85 2.051 -3.031 13.908 1.00 0.00 C ATOM 1231 O TYR A 85 3.254 -2.899 14.138 1.00 0.00 O ATOM 1232 CB TYR A 85 2.310 -4.668 12.034 1.00 0.00 C ATOM 1233 CG TYR A 85 2.579 -5.678 13.126 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.571 -6.516 13.587 1.00 0.00 C ATOM 1235 CD2 TYR A 85 3.840 -5.794 13.697 1.00 0.00 C ATOM 1236 CE1 TYR A 85 1.812 -7.441 14.585 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.090 -6.717 14.695 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.073 -7.537 15.135 1.00 0.00 C ATOM 1239 OH TYR A 85 3.318 -8.457 16.130 1.00 0.00 O ATOM 0 H TYR A 85 2.693 -2.018 11.460 1.00 0.00 H new ATOM 0 HA TYR A 85 0.494 -3.656 12.582 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.733 -5.146 11.243 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.258 -4.359 11.595 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.582 -6.443 13.158 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.639 -5.152 13.355 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.018 -8.085 14.932 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.076 -6.795 15.128 1.00 0.00 H new ATOM 0 HH TYR A 85 4.256 -8.397 16.408 1.00 0.00 H new ATOM 1249 N ARG A 86 1.113 -2.842 14.830 1.00 0.00 N ATOM 1250 CA ARG A 86 1.451 -2.461 16.196 1.00 0.00 C ATOM 1251 C ARG A 86 2.157 -1.109 16.224 1.00 0.00 C ATOM 1252 O ARG A 86 3.025 -0.868 17.062 1.00 0.00 O ATOM 1253 CB ARG A 86 2.339 -3.526 16.841 1.00 0.00 C ATOM 1254 CG ARG A 86 1.622 -4.840 17.103 1.00 0.00 C ATOM 1255 CD ARG A 86 2.458 -5.768 17.972 1.00 0.00 C ATOM 1256 NE ARG A 86 2.497 -5.327 19.364 1.00 0.00 N ATOM 1257 CZ ARG A 86 3.219 -5.926 20.304 1.00 0.00 C ATOM 1258 NH1 ARG A 86 3.959 -6.984 20.003 1.00 0.00 N ATOM 1259 NH2 ARG A 86 3.202 -5.466 21.549 1.00 0.00 N ATOM 0 H ARG A 86 0.113 -2.946 14.656 1.00 0.00 H new ATOM 0 HA ARG A 86 0.524 -2.379 16.764 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.196 -3.712 16.194 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.728 -3.140 17.783 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.668 -4.644 17.592 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.400 -5.330 16.155 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.049 -6.777 17.923 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.473 -5.816 17.578 1.00 0.00 H new ATOM 0 HE ARG A 86 1.939 -4.515 19.628 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.975 -7.340 19.047 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.512 -7.442 20.727 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.634 -4.652 21.784 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.757 -5.927 22.270 1.00 0.00 H new ATOM 1273 N GLY A 87 1.778 -0.229 15.302 1.00 0.00 N ATOM 1274 CA GLY A 87 2.386 1.087 15.238 1.00 0.00 C ATOM 1275 C GLY A 87 3.708 1.080 14.497 1.00 0.00 C ATOM 1276 O GLY A 87 4.651 1.764 14.893 1.00 0.00 O ATOM 0 H GLY A 87 1.061 -0.404 14.598 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.701 1.777 14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.542 1.461 16.250 1.00 0.00 H new ATOM 1280 N GLN A 88 3.777 0.304 13.420 1.00 0.00 N ATOM 1281 CA GLN A 88 4.996 0.209 12.625 1.00 0.00 C ATOM 1282 C GLN A 88 4.667 0.036 11.145 1.00 0.00 C ATOM 1283 O GLN A 88 3.895 -0.846 10.769 1.00 0.00 O ATOM 1284 CB GLN A 88 5.857 -0.959 13.108 1.00 0.00 C ATOM 1285 CG GLN A 88 6.162 -0.914 14.597 1.00 0.00 C ATOM 1286 CD GLN A 88 7.287 0.045 14.933 1.00 0.00 C ATOM 1287 OE1 GLN A 88 7.441 1.087 14.295 1.00 0.00 O ATOM 1288 NE2 GLN A 88 8.080 -0.302 15.940 1.00 0.00 N ATOM 0 H GLN A 88 3.004 -0.267 13.078 1.00 0.00 H new ATOM 0 HA GLN A 88 5.554 1.137 12.750 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.348 -1.895 12.878 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.795 -0.962 12.553 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.264 -0.619 15.139 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.427 -1.914 14.940 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.916 -1.175 16.441 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.854 0.304 16.212 1.00 0.00 H new ATOM 1297 N HIS A 89 5.260 0.883 10.310 1.00 0.00 N ATOM 1298 CA HIS A 89 5.030 0.824 8.870 1.00 0.00 C ATOM 1299 C HIS A 89 5.800 -0.335 8.245 1.00 0.00 C ATOM 1300 O HIS A 89 7.025 -0.406 8.345 1.00 0.00 O ATOM 1301 CB HIS A 89 5.444 2.140 8.212 1.00 0.00 C ATOM 1302 CG HIS A 89 4.369 3.184 8.232 1.00 0.00 C ATOM 1303 ND1 HIS A 89 3.178 3.051 7.550 1.00 0.00 N ATOM 1304 CD2 HIS A 89 4.310 4.381 8.860 1.00 0.00 C ATOM 1305 CE1 HIS A 89 2.434 4.123 7.755 1.00 0.00 C ATOM 1306 NE2 HIS A 89 3.098 4.946 8.547 1.00 0.00 N ATOM 0 H HIS A 89 5.903 1.618 10.605 1.00 0.00 H new ATOM 0 HA HIS A 89 3.965 0.662 8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 89 6.326 2.529 8.720 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.731 1.946 7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.074 4.812 9.490 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.450 4.297 7.345 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.765 5.853 8.873 1.00 0.00 H new ATOM 1314 N VAL A 90 5.073 -1.243 7.601 1.00 0.00 N ATOM 1315 CA VAL A 90 5.688 -2.399 6.959 1.00 0.00 C ATOM 1316 C VAL A 90 6.619 -1.971 5.830 1.00 0.00 C ATOM 1317 O VAL A 90 6.819 -0.779 5.594 1.00 0.00 O ATOM 1318 CB VAL A 90 4.624 -3.360 6.396 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.824 -3.992 7.524 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.708 -2.630 5.425 1.00 0.00 C ATOM 0 H VAL A 90 4.058 -1.200 7.510 1.00 0.00 H new ATOM 0 HA VAL A 90 6.266 -2.916 7.725 1.00 0.00 H new ATOM 0 HB VAL A 90 5.131 -4.157 5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.077 -4.668 7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.494 -4.551 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.326 -3.211 8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.962 -3.324 5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.208 -1.812 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.297 -2.231 4.599 1.00 0.00 H new ATOM 1330 N THR A 91 7.186 -2.951 5.134 1.00 0.00 N ATOM 1331 CA THR A 91 8.097 -2.677 4.030 1.00 0.00 C ATOM 1332 C THR A 91 7.387 -1.934 2.904 1.00 0.00 C ATOM 1333 O THR A 91 6.315 -2.341 2.457 1.00 0.00 O ATOM 1334 CB THR A 91 8.707 -3.975 3.469 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.442 -4.653 4.494 1.00 0.00 O ATOM 1336 CG2 THR A 91 9.624 -3.677 2.292 1.00 0.00 C ATOM 0 H THR A 91 7.030 -3.943 5.316 1.00 0.00 H new ATOM 0 HA THR A 91 8.896 -2.052 4.427 1.00 0.00 H new ATOM 0 HB THR A 91 7.894 -4.613 3.123 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.825 -5.478 4.130 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.043 -4.609 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.055 -3.187 1.502 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.432 -3.022 2.617 1.00 0.00 H new ATOM 1344 N GLY A 92 7.993 -0.842 2.447 1.00 0.00 N ATOM 1345 CA GLY A 92 7.404 -0.060 1.375 1.00 0.00 C ATOM 1346 C GLY A 92 6.062 0.531 1.759 1.00 0.00 C ATOM 1347 O GLY A 92 5.143 0.584 0.941 1.00 0.00 O ATOM 0 H GLY A 92 8.881 -0.485 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.086 0.744 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.281 -0.691 0.494 1.00 0.00 H new ATOM 1351 N SER A 93 5.947 0.974 3.007 1.00 0.00 N ATOM 1352 CA SER A 93 4.705 1.559 3.499 1.00 0.00 C ATOM 1353 C SER A 93 4.935 2.983 3.995 1.00 0.00 C ATOM 1354 O SER A 93 5.966 3.303 4.588 1.00 0.00 O ATOM 1355 CB SER A 93 4.124 0.702 4.625 1.00 0.00 C ATOM 1356 OG SER A 93 2.709 0.778 4.645 1.00 0.00 O ATOM 0 H SER A 93 6.699 0.939 3.696 1.00 0.00 H new ATOM 0 HA SER A 93 3.995 1.591 2.673 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.434 -0.335 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.523 1.035 5.583 1.00 0.00 H new ATOM 0 HG SER A 93 2.377 0.462 5.511 1.00 0.00 H new ATOM 1362 N PRO A 94 3.951 3.861 3.747 1.00 0.00 N ATOM 1363 CA PRO A 94 2.720 3.493 3.042 1.00 0.00 C ATOM 1364 C PRO A 94 2.964 3.200 1.565 1.00 0.00 C ATOM 1365 O PRO A 94 3.987 3.593 1.004 1.00 0.00 O ATOM 1366 CB PRO A 94 1.835 4.731 3.202 1.00 0.00 C ATOM 1367 CG PRO A 94 2.791 5.858 3.395 1.00 0.00 C ATOM 1368 CD PRO A 94 3.966 5.281 4.136 1.00 0.00 C ATOM 0 HA PRO A 94 2.277 2.582 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.211 4.888 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.164 4.630 4.055 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.101 6.276 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.331 6.667 3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.899 5.766 3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.861 5.403 5.214 1.00 0.00 H new ATOM 1376 N PHE A 95 2.018 2.506 0.940 1.00 0.00 N ATOM 1377 CA PHE A 95 2.130 2.160 -0.472 1.00 0.00 C ATOM 1378 C PHE A 95 1.403 3.181 -1.342 1.00 0.00 C ATOM 1379 O PHE A 95 0.282 3.587 -1.034 1.00 0.00 O ATOM 1380 CB PHE A 95 1.562 0.762 -0.723 1.00 0.00 C ATOM 1381 CG PHE A 95 2.189 -0.302 0.132 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.385 -0.894 -0.242 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.582 -0.711 1.309 1.00 0.00 C ATOM 1384 CE1 PHE A 95 3.965 -1.873 0.542 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.158 -1.690 2.097 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.350 -2.272 1.713 1.00 0.00 C ATOM 0 H PHE A 95 1.165 2.172 1.389 1.00 0.00 H new ATOM 0 HA PHE A 95 3.187 2.168 -0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.487 0.777 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.704 0.504 -1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.869 -0.587 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.649 -0.260 1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.898 -2.326 0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.676 -2.000 3.013 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.801 -3.038 2.327 1.00 0.00 H new ATOM 1396 N GLN A 96 2.049 3.591 -2.428 1.00 0.00 N ATOM 1397 CA GLN A 96 1.464 4.565 -3.342 1.00 0.00 C ATOM 1398 C GLN A 96 1.402 4.012 -4.762 1.00 0.00 C ATOM 1399 O GLN A 96 2.379 3.455 -5.265 1.00 0.00 O ATOM 1400 CB GLN A 96 2.272 5.864 -3.323 1.00 0.00 C ATOM 1401 CG GLN A 96 1.811 6.852 -2.263 1.00 0.00 C ATOM 1402 CD GLN A 96 2.644 8.119 -2.245 1.00 0.00 C ATOM 1403 OE1 GLN A 96 3.826 8.103 -2.588 1.00 0.00 O ATOM 1404 NE2 GLN A 96 2.029 9.225 -1.844 1.00 0.00 N ATOM 0 H GLN A 96 2.977 3.264 -2.697 1.00 0.00 H new ATOM 0 HA GLN A 96 0.447 4.773 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.322 5.626 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.206 6.338 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.767 7.110 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.858 6.377 -1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.047 9.191 -1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.538 10.108 -1.811 1.00 0.00 H new ATOM 1413 N PHE A 97 0.249 4.167 -5.403 1.00 0.00 N ATOM 1414 CA PHE A 97 0.059 3.682 -6.765 1.00 0.00 C ATOM 1415 C PHE A 97 -0.962 4.536 -7.510 1.00 0.00 C ATOM 1416 O PHE A 97 -1.775 5.229 -6.897 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.395 2.221 -6.749 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.719 2.012 -6.073 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -2.899 2.376 -6.702 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -1.785 1.451 -4.807 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -4.119 2.185 -6.082 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -3.002 1.257 -4.183 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.171 1.626 -4.820 1.00 0.00 C ATOM 0 H PHE A 97 -0.569 4.625 -5.001 1.00 0.00 H new ATOM 0 HA PHE A 97 1.014 3.753 -7.286 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.458 1.857 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.361 1.620 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.865 2.814 -7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.875 1.162 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.031 2.473 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.040 0.817 -3.197 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.123 1.478 -4.332 1.00 0.00 H new ATOM 1433 N THR A 98 -0.915 4.481 -8.837 1.00 0.00 N ATOM 1434 CA THR A 98 -1.835 5.250 -9.667 1.00 0.00 C ATOM 1435 C THR A 98 -2.890 4.349 -10.299 1.00 0.00 C ATOM 1436 O THR A 98 -2.586 3.248 -10.760 1.00 0.00 O ATOM 1437 CB THR A 98 -1.087 6.005 -10.782 1.00 0.00 C ATOM 1438 OG1 THR A 98 -0.046 6.810 -10.216 1.00 0.00 O ATOM 1439 CG2 THR A 98 -2.042 6.886 -11.573 1.00 0.00 C ATOM 0 H THR A 98 -0.250 3.912 -9.361 1.00 0.00 H new ATOM 0 HA THR A 98 -2.323 5.972 -9.013 1.00 0.00 H new ATOM 0 HB THR A 98 -0.650 5.270 -11.458 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.426 7.285 -10.932 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.491 7.409 -12.355 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.816 6.267 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.503 7.613 -10.905 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.132 4.822 -10.317 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.232 4.060 -10.894 1.00 0.00 C ATOM 1449 C VAL A 99 -5.669 4.651 -12.229 1.00 0.00 C ATOM 1450 O VAL A 99 -5.468 5.836 -12.492 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.444 4.016 -9.943 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.467 3.000 -10.429 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.996 3.697 -8.525 1.00 0.00 C ATOM 0 H VAL A 99 -4.401 5.730 -9.938 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.866 3.045 -11.052 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.917 4.998 -9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.316 2.983 -9.745 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.810 3.277 -11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.009 2.011 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.864 3.670 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.499 2.727 -8.510 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.303 4.465 -8.181 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.270 3.816 -13.072 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.728 4.274 -14.371 1.00 0.00 C ATOM 1465 C GLY A 100 -7.912 3.479 -14.882 1.00 0.00 C ATOM 1466 O GLY A 100 -8.048 2.285 -14.614 1.00 0.00 O ATOM 0 H GLY A 100 -6.448 2.830 -12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.002 5.327 -14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.910 4.202 -15.087 1.00 0.00 H new