USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=21 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= -2.05 X(o=-3.2,f=-3.5!) USER MOD Set 1.2: A 93 SER OG : rot 80:sc= -1.14 USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc=-0.00188 USER MOD Set 2.2: A 96 GLN : amide:sc= 0 K(o=-0.0019,f=-0.75) USER MOD Set 3.1: A 49 SER OG : rot 123:sc= 0.933 USER MOD Set 3.2: A 51 SER OG : rot 180:sc= 0.881 USER MOD Set 4.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 27 SER OG : rot 46:sc= 1.23 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.532 K(o=0.53,f=-4.4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 143:sc= -4.43! (180deg=-5.24!) USER MOD Single : A 44 SER OG : rot 33:sc= 0.516 USER MOD Single : A 46 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot 177:sc= -0.795 USER MOD Single : A 62 MET CE :methyl 151:sc= 0 (180deg=-0.208) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.792 K(o=-0.79,f=-4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.115 USER MOD Single : A 74 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.2!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -10.2! C(o=-10!,f=-14!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ALA A 23 -3.474 -1.159 -11.165 1.00 0.00 N ATOM 312 CA ALA A 23 -4.679 -0.978 -10.364 1.00 0.00 C ATOM 313 C ALA A 23 -5.780 -0.304 -11.175 1.00 0.00 C ATOM 314 O ALA A 23 -5.537 0.678 -11.877 1.00 0.00 O ATOM 315 CB ALA A 23 -4.366 -0.166 -9.117 1.00 0.00 C ATOM 0 HA ALA A 23 -5.037 -1.962 -10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.274 -0.038 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.618 -0.688 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.981 0.812 -9.407 1.00 0.00 H new ATOM 321 N THR A 24 -6.994 -0.838 -11.075 1.00 0.00 N ATOM 322 CA THR A 24 -8.133 -0.289 -11.800 1.00 0.00 C ATOM 323 C THR A 24 -8.998 0.577 -10.891 1.00 0.00 C ATOM 324 O THR A 24 -8.754 0.668 -9.688 1.00 0.00 O ATOM 325 CB THR A 24 -9.003 -1.406 -12.407 1.00 0.00 C ATOM 326 OG1 THR A 24 -9.902 -0.854 -13.375 1.00 0.00 O ATOM 327 CG2 THR A 24 -9.795 -2.124 -11.324 1.00 0.00 C ATOM 0 H THR A 24 -7.213 -1.650 -10.499 1.00 0.00 H new ATOM 0 HA THR A 24 -7.730 0.325 -12.605 1.00 0.00 H new ATOM 0 HB THR A 24 -8.345 -2.127 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.451 -1.570 -13.758 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.402 -2.908 -11.776 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.107 -2.567 -10.604 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.444 -1.411 -10.815 1.00 0.00 H new ATOM 335 N VAL A 25 -10.009 1.212 -11.474 1.00 0.00 N ATOM 336 CA VAL A 25 -10.912 2.070 -10.716 1.00 0.00 C ATOM 337 C VAL A 25 -12.335 1.523 -10.735 1.00 0.00 C ATOM 338 O VAL A 25 -12.762 0.906 -11.710 1.00 0.00 O ATOM 339 CB VAL A 25 -10.919 3.507 -11.271 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.386 3.518 -12.719 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.797 4.405 -10.412 1.00 0.00 C ATOM 0 H VAL A 25 -10.224 1.149 -12.469 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.546 2.087 -9.690 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.901 3.895 -11.240 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.384 4.541 -13.094 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.713 2.909 -13.323 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.395 3.111 -12.779 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.791 5.416 -10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.817 4.021 -10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.413 4.421 -9.392 1.00 0.00 H new ATOM 351 N GLY A 26 -13.066 1.753 -9.648 1.00 0.00 N ATOM 352 CA GLY A 26 -14.434 1.277 -9.560 1.00 0.00 C ATOM 353 C GLY A 26 -14.540 -0.222 -9.756 1.00 0.00 C ATOM 354 O GLY A 26 -15.368 -0.697 -10.533 1.00 0.00 O ATOM 0 H GLY A 26 -12.735 2.260 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.846 1.543 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.040 1.782 -10.312 1.00 0.00 H new ATOM 358 N SER A 27 -13.698 -0.971 -9.050 1.00 0.00 N ATOM 359 CA SER A 27 -13.696 -2.425 -9.154 1.00 0.00 C ATOM 360 C SER A 27 -12.809 -3.046 -8.079 1.00 0.00 C ATOM 361 O SER A 27 -11.761 -2.500 -7.733 1.00 0.00 O ATOM 362 CB SER A 27 -13.216 -2.858 -10.540 1.00 0.00 C ATOM 363 OG SER A 27 -14.301 -2.964 -11.446 1.00 0.00 O ATOM 0 H SER A 27 -13.008 -0.594 -8.400 1.00 0.00 H new ATOM 0 HA SER A 27 -14.717 -2.776 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.491 -2.137 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.704 -3.817 -10.468 1.00 0.00 H new ATOM 0 HG SER A 27 -14.880 -2.178 -11.357 1.00 0.00 H new ATOM 369 N ILE A 28 -13.237 -4.189 -7.555 1.00 0.00 N ATOM 370 CA ILE A 28 -12.482 -4.885 -6.520 1.00 0.00 C ATOM 371 C ILE A 28 -11.075 -5.223 -7.001 1.00 0.00 C ATOM 372 O ILE A 28 -10.898 -5.814 -8.067 1.00 0.00 O ATOM 373 CB ILE A 28 -13.189 -6.181 -6.083 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.567 -5.864 -5.497 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.338 -6.933 -5.071 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.468 -7.074 -5.383 1.00 0.00 C ATOM 0 H ILE A 28 -14.103 -4.653 -7.830 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.419 -4.210 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.325 -6.816 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.440 -5.422 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.055 -5.115 -6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.851 -7.847 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.378 -7.187 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.174 -6.305 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.427 -6.775 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.626 -7.505 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.001 -7.815 -4.735 1.00 0.00 H new ATOM 388 N CYS A 29 -10.079 -4.847 -6.207 1.00 0.00 N ATOM 389 CA CYS A 29 -8.686 -5.112 -6.550 1.00 0.00 C ATOM 390 C CYS A 29 -8.002 -5.926 -5.457 1.00 0.00 C ATOM 391 O CYS A 29 -8.059 -5.573 -4.279 1.00 0.00 O ATOM 392 CB CYS A 29 -7.935 -3.799 -6.772 1.00 0.00 C ATOM 393 SG CYS A 29 -6.566 -3.920 -7.946 1.00 0.00 S ATOM 0 H CYS A 29 -10.210 -4.358 -5.322 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.669 -5.692 -7.473 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.639 -3.046 -7.127 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.549 -3.448 -5.815 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.995 -2.759 -8.068 1.00 0.00 H new ATOM 399 N ASP A 30 -7.356 -7.016 -5.854 1.00 0.00 N ATOM 400 CA ASP A 30 -6.660 -7.881 -4.908 1.00 0.00 C ATOM 401 C ASP A 30 -5.202 -7.459 -4.757 1.00 0.00 C ATOM 402 O ASP A 30 -4.427 -7.511 -5.713 1.00 0.00 O ATOM 403 CB ASP A 30 -6.738 -9.339 -5.364 1.00 0.00 C ATOM 404 CG ASP A 30 -8.155 -9.769 -5.687 1.00 0.00 C ATOM 405 OD1 ASP A 30 -8.714 -9.271 -6.686 1.00 0.00 O ATOM 406 OD2 ASP A 30 -8.707 -10.605 -4.939 1.00 0.00 O ATOM 0 H ASP A 30 -7.299 -7.322 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.149 -7.786 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.110 -9.475 -6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.335 -9.983 -4.583 1.00 0.00 H new ATOM 411 N LEU A 31 -4.835 -7.040 -3.551 1.00 0.00 N ATOM 412 CA LEU A 31 -3.469 -6.608 -3.274 1.00 0.00 C ATOM 413 C LEU A 31 -2.722 -7.655 -2.454 1.00 0.00 C ATOM 414 O LEU A 31 -3.055 -7.905 -1.297 1.00 0.00 O ATOM 415 CB LEU A 31 -3.477 -5.272 -2.530 1.00 0.00 C ATOM 416 CG LEU A 31 -2.108 -4.645 -2.262 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.624 -3.879 -3.484 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.169 -3.731 -1.047 1.00 0.00 C ATOM 0 H LEU A 31 -5.464 -6.990 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.953 -6.484 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.073 -4.563 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.983 -5.414 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.397 -5.445 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.649 -3.440 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.541 -4.560 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.335 -3.088 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.186 -3.294 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.893 -2.936 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.471 -4.308 -0.173 1.00 0.00 H new ATOM 430 N ASN A 32 -1.709 -8.264 -3.063 1.00 0.00 N ATOM 431 CA ASN A 32 -0.913 -9.283 -2.389 1.00 0.00 C ATOM 432 C ASN A 32 0.282 -8.657 -1.677 1.00 0.00 C ATOM 433 O ASN A 32 1.066 -7.925 -2.282 1.00 0.00 O ATOM 434 CB ASN A 32 -0.431 -10.331 -3.394 1.00 0.00 C ATOM 435 CG ASN A 32 -0.069 -9.722 -4.735 1.00 0.00 C ATOM 436 OD1 ASN A 32 -0.900 -9.090 -5.387 1.00 0.00 O ATOM 437 ND2 ASN A 32 1.178 -9.910 -5.153 1.00 0.00 N ATOM 0 H ASN A 32 -1.420 -8.069 -4.022 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.544 -9.767 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.437 -10.849 -2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.210 -11.080 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.480 -9.524 -6.047 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.834 -10.441 -4.579 1.00 0.00 H new ATOM 444 N LEU A 33 0.415 -8.950 -0.388 1.00 0.00 N ATOM 445 CA LEU A 33 1.516 -8.417 0.408 1.00 0.00 C ATOM 446 C LEU A 33 2.235 -9.533 1.159 1.00 0.00 C ATOM 447 O LEU A 33 1.608 -10.339 1.845 1.00 0.00 O ATOM 448 CB LEU A 33 0.996 -7.373 1.398 1.00 0.00 C ATOM 449 CG LEU A 33 -0.001 -6.357 0.841 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.942 -5.877 1.935 1.00 0.00 C ATOM 451 CD2 LEU A 33 0.731 -5.181 0.211 1.00 0.00 C ATOM 0 H LEU A 33 -0.225 -9.553 0.128 1.00 0.00 H new ATOM 0 HA LEU A 33 2.227 -7.944 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.525 -7.895 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.849 -6.830 1.804 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.594 -6.846 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.644 -5.154 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.492 -6.726 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.365 -5.406 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.005 -4.468 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.350 -4.693 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.363 -5.539 -0.602 1.00 0.00 H new ATOM 463 N LYS A 34 3.557 -9.572 1.025 1.00 0.00 N ATOM 464 CA LYS A 34 4.364 -10.586 1.693 1.00 0.00 C ATOM 465 C LYS A 34 4.462 -10.305 3.189 1.00 0.00 C ATOM 466 O LYS A 34 5.347 -9.576 3.636 1.00 0.00 O ATOM 467 CB LYS A 34 5.765 -10.636 1.080 1.00 0.00 C ATOM 468 CG LYS A 34 6.722 -11.553 1.824 1.00 0.00 C ATOM 469 CD LYS A 34 6.546 -13.002 1.403 1.00 0.00 C ATOM 470 CE LYS A 34 7.825 -13.800 1.604 1.00 0.00 C ATOM 471 NZ LYS A 34 7.546 -15.239 1.863 1.00 0.00 N ATOM 0 H LYS A 34 4.092 -8.913 0.460 1.00 0.00 H new ATOM 0 HA LYS A 34 3.878 -11.552 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.688 -10.968 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.181 -9.629 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.749 -11.240 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.554 -11.462 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.739 -13.454 1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.251 -13.044 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.455 -13.706 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.386 -13.383 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.443 -15.748 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.966 -15.331 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.033 -15.644 1.054 1.00 0.00 H new ATOM 485 N ILE A 35 3.548 -10.889 3.957 1.00 0.00 N ATOM 486 CA ILE A 35 3.534 -10.703 5.403 1.00 0.00 C ATOM 487 C ILE A 35 3.896 -11.996 6.127 1.00 0.00 C ATOM 488 O ILE A 35 3.460 -13.086 5.757 1.00 0.00 O ATOM 489 CB ILE A 35 2.157 -10.221 5.895 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.805 -8.876 5.254 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.146 -10.110 7.412 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.317 -8.617 5.173 1.00 0.00 C ATOM 0 H ILE A 35 2.808 -11.495 3.602 1.00 0.00 H new ATOM 0 HA ILE A 35 4.279 -9.941 5.630 1.00 0.00 H new ATOM 0 HB ILE A 35 1.405 -10.952 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.274 -8.076 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.227 -8.840 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.166 -9.768 7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.358 -11.085 7.850 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.906 -9.397 7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.141 -7.647 4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.156 -9.396 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.108 -8.621 6.177 1.00 0.00 H new ATOM 504 N PRO A 36 4.711 -11.873 7.185 1.00 0.00 N ATOM 505 CA PRO A 36 5.148 -13.021 7.985 1.00 0.00 C ATOM 506 C PRO A 36 4.011 -13.621 8.806 1.00 0.00 C ATOM 507 O PRO A 36 2.840 -13.336 8.561 1.00 0.00 O ATOM 508 CB PRO A 36 6.216 -12.426 8.905 1.00 0.00 C ATOM 509 CG PRO A 36 5.865 -10.982 9.010 1.00 0.00 C ATOM 510 CD PRO A 36 5.268 -10.604 7.682 1.00 0.00 C ATOM 0 HA PRO A 36 5.511 -13.838 7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.209 -12.907 9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.215 -12.561 8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.156 -10.811 9.820 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.748 -10.380 9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.497 -9.842 7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.020 -10.202 7.003 1.00 0.00 H new ATOM 518 N GLU A 37 4.367 -14.452 9.781 1.00 0.00 N ATOM 519 CA GLU A 37 3.375 -15.092 10.637 1.00 0.00 C ATOM 520 C GLU A 37 2.356 -14.076 11.144 1.00 0.00 C ATOM 521 O GLU A 37 1.224 -14.428 11.475 1.00 0.00 O ATOM 522 CB GLU A 37 4.059 -15.779 11.821 1.00 0.00 C ATOM 523 CG GLU A 37 4.861 -14.830 12.695 1.00 0.00 C ATOM 524 CD GLU A 37 5.520 -15.531 13.867 1.00 0.00 C ATOM 525 OE1 GLU A 37 4.907 -16.469 14.419 1.00 0.00 O ATOM 526 OE2 GLU A 37 6.649 -15.143 14.231 1.00 0.00 O ATOM 0 H GLU A 37 5.333 -14.697 9.997 1.00 0.00 H new ATOM 0 HA GLU A 37 2.850 -15.841 10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.302 -16.270 12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.720 -16.560 11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.627 -14.344 12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.205 -14.044 13.069 1.00 0.00 H new ATOM 533 N ILE A 38 2.767 -12.813 11.201 1.00 0.00 N ATOM 534 CA ILE A 38 1.891 -11.745 11.666 1.00 0.00 C ATOM 535 C ILE A 38 0.458 -11.964 11.191 1.00 0.00 C ATOM 536 O ILE A 38 0.222 -12.307 10.034 1.00 0.00 O ATOM 537 CB ILE A 38 2.376 -10.367 11.180 1.00 0.00 C ATOM 538 CG1 ILE A 38 3.695 -9.997 11.861 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.318 -9.307 11.451 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.399 -8.824 11.217 1.00 0.00 C ATOM 0 H ILE A 38 3.701 -12.505 10.931 1.00 0.00 H new ATOM 0 HA ILE A 38 1.918 -11.767 12.755 1.00 0.00 H new ATOM 0 HB ILE A 38 2.546 -10.417 10.104 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.501 -9.764 12.908 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.358 -10.862 11.845 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.676 -8.338 11.102 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.400 -9.566 10.924 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.120 -9.256 12.522 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.326 -8.618 11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.625 -9.061 10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.754 -7.946 11.257 1.00 0.00 H new ATOM 552 N ASN A 39 -0.496 -11.761 12.094 1.00 0.00 N ATOM 553 CA ASN A 39 -1.907 -11.935 11.768 1.00 0.00 C ATOM 554 C ASN A 39 -2.547 -10.601 11.396 1.00 0.00 C ATOM 555 O ASN A 39 -1.892 -9.559 11.415 1.00 0.00 O ATOM 556 CB ASN A 39 -2.652 -12.559 12.949 1.00 0.00 C ATOM 557 CG ASN A 39 -2.400 -14.050 13.068 1.00 0.00 C ATOM 558 OD1 ASN A 39 -3.060 -14.857 12.413 1.00 0.00 O ATOM 559 ND2 ASN A 39 -1.442 -14.422 13.909 1.00 0.00 N ATOM 0 H ASN A 39 -0.318 -11.476 13.057 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.976 -12.603 10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.344 -12.066 13.871 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.721 -12.382 12.835 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.228 -15.412 14.033 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.920 -13.718 14.431 1.00 0.00 H new ATOM 566 N SER A 40 -3.832 -10.641 11.058 1.00 0.00 N ATOM 567 CA SER A 40 -4.561 -9.437 10.678 1.00 0.00 C ATOM 568 C SER A 40 -5.023 -8.670 11.913 1.00 0.00 C ATOM 569 O SER A 40 -4.838 -7.457 12.010 1.00 0.00 O ATOM 570 CB SER A 40 -5.766 -9.797 9.807 1.00 0.00 C ATOM 571 OG SER A 40 -6.810 -8.852 9.964 1.00 0.00 O ATOM 0 H SER A 40 -4.390 -11.495 11.040 1.00 0.00 H new ATOM 0 HA SER A 40 -3.887 -8.799 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.463 -9.838 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.127 -10.790 10.073 1.00 0.00 H new ATOM 0 HG SER A 40 -7.568 -9.104 9.396 1.00 0.00 H new ATOM 577 N SER A 41 -5.627 -9.387 12.856 1.00 0.00 N ATOM 578 CA SER A 41 -6.120 -8.774 14.084 1.00 0.00 C ATOM 579 C SER A 41 -5.096 -7.797 14.652 1.00 0.00 C ATOM 580 O SER A 41 -5.444 -6.879 15.396 1.00 0.00 O ATOM 581 CB SER A 41 -6.444 -9.851 15.121 1.00 0.00 C ATOM 582 OG SER A 41 -7.448 -10.732 14.645 1.00 0.00 O ATOM 0 H SER A 41 -5.787 -10.392 12.793 1.00 0.00 H new ATOM 0 HA SER A 41 -7.030 -8.222 13.847 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.542 -10.416 15.357 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.777 -9.381 16.046 1.00 0.00 H new ATOM 0 HG SER A 41 -7.636 -11.412 15.325 1.00 0.00 H new ATOM 588 N ASP A 42 -3.833 -8.000 14.297 1.00 0.00 N ATOM 589 CA ASP A 42 -2.757 -7.137 14.770 1.00 0.00 C ATOM 590 C ASP A 42 -2.424 -6.066 13.736 1.00 0.00 C ATOM 591 O ASP A 42 -1.981 -4.972 14.082 1.00 0.00 O ATOM 592 CB ASP A 42 -1.510 -7.965 15.084 1.00 0.00 C ATOM 593 CG ASP A 42 -1.724 -8.916 16.245 1.00 0.00 C ATOM 594 OD1 ASP A 42 -2.310 -8.490 17.262 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.306 -10.088 16.136 1.00 0.00 O ATOM 0 H ASP A 42 -3.528 -8.755 13.683 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.095 -6.644 15.681 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.223 -8.534 14.200 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.681 -7.295 15.315 1.00 0.00 H new ATOM 600 N MET A 43 -2.641 -6.391 12.465 1.00 0.00 N ATOM 601 CA MET A 43 -2.364 -5.456 11.380 1.00 0.00 C ATOM 602 C MET A 43 -3.562 -4.547 11.128 1.00 0.00 C ATOM 603 O MET A 43 -4.642 -4.760 11.677 1.00 0.00 O ATOM 604 CB MET A 43 -2.008 -6.217 10.102 1.00 0.00 C ATOM 605 CG MET A 43 -0.609 -6.811 10.118 1.00 0.00 C ATOM 606 SD MET A 43 -0.109 -7.455 8.509 1.00 0.00 S ATOM 607 CE MET A 43 -1.064 -8.968 8.438 1.00 0.00 C ATOM 0 H MET A 43 -3.007 -7.293 12.162 1.00 0.00 H new ATOM 0 HA MET A 43 -1.516 -4.837 11.673 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.732 -7.018 9.952 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.098 -5.543 9.250 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.102 -6.048 10.437 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.567 -7.613 10.855 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.408 -9.134 7.417 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.442 -9.806 8.752 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.925 -8.887 9.102 1.00 0.00 H new ATOM 617 N SER A 44 -3.363 -3.532 10.293 1.00 0.00 N ATOM 618 CA SER A 44 -4.426 -2.587 9.971 1.00 0.00 C ATOM 619 C SER A 44 -4.257 -2.040 8.557 1.00 0.00 C ATOM 620 O SER A 44 -3.248 -1.411 8.239 1.00 0.00 O ATOM 621 CB SER A 44 -4.436 -1.435 10.978 1.00 0.00 C ATOM 622 OG SER A 44 -3.197 -0.748 10.979 1.00 0.00 O ATOM 0 H SER A 44 -2.475 -3.343 9.827 1.00 0.00 H new ATOM 0 HA SER A 44 -5.377 -3.116 10.026 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.240 -0.741 10.733 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.642 -1.822 11.976 1.00 0.00 H new ATOM 0 HG SER A 44 -2.813 -0.765 10.078 1.00 0.00 H new ATOM 628 N ALA A 45 -5.252 -2.284 7.711 1.00 0.00 N ATOM 629 CA ALA A 45 -5.216 -1.815 6.331 1.00 0.00 C ATOM 630 C ALA A 45 -6.252 -0.721 6.096 1.00 0.00 C ATOM 631 O ALA A 45 -7.447 -0.929 6.306 1.00 0.00 O ATOM 632 CB ALA A 45 -5.443 -2.975 5.373 1.00 0.00 C ATOM 0 H ALA A 45 -6.094 -2.804 7.957 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.230 -1.391 6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.414 -2.610 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.662 -3.722 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.416 -3.425 5.570 1.00 0.00 H new ATOM 638 N HIS A 46 -5.786 0.445 5.660 1.00 0.00 N ATOM 639 CA HIS A 46 -6.673 1.572 5.396 1.00 0.00 C ATOM 640 C HIS A 46 -6.150 2.415 4.237 1.00 0.00 C ATOM 641 O HIS A 46 -4.991 2.831 4.231 1.00 0.00 O ATOM 642 CB HIS A 46 -6.817 2.438 6.647 1.00 0.00 C ATOM 643 CG HIS A 46 -7.411 1.711 7.814 1.00 0.00 C ATOM 644 ND1 HIS A 46 -6.704 0.802 8.573 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.652 1.763 8.351 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.485 0.326 9.526 1.00 0.00 C ATOM 647 NE2 HIS A 46 -8.673 0.893 9.414 1.00 0.00 N ATOM 0 H HIS A 46 -4.800 0.634 5.482 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.651 1.177 5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.836 2.820 6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.440 3.301 6.412 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.473 2.375 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.201 -0.403 10.270 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.475 0.714 10.018 1.00 0.00 H new ATOM 655 N VAL A 47 -7.012 2.664 3.256 1.00 0.00 N ATOM 656 CA VAL A 47 -6.637 3.458 2.092 1.00 0.00 C ATOM 657 C VAL A 47 -6.908 4.939 2.326 1.00 0.00 C ATOM 658 O VAL A 47 -7.997 5.323 2.755 1.00 0.00 O ATOM 659 CB VAL A 47 -7.397 3.001 0.832 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.092 3.921 -0.339 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.049 1.559 0.494 1.00 0.00 C ATOM 0 H VAL A 47 -7.975 2.327 3.244 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.569 3.307 1.938 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.467 3.054 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.638 3.582 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.397 4.938 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.022 3.904 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.595 1.253 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.978 1.477 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.325 0.913 1.328 1.00 0.00 H new ATOM 671 N THR A 48 -5.910 5.770 2.041 1.00 0.00 N ATOM 672 CA THR A 48 -6.040 7.211 2.221 1.00 0.00 C ATOM 673 C THR A 48 -6.283 7.912 0.890 1.00 0.00 C ATOM 674 O THR A 48 -5.609 7.632 -0.102 1.00 0.00 O ATOM 675 CB THR A 48 -4.784 7.810 2.882 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.400 7.018 4.012 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.037 9.243 3.324 1.00 0.00 C ATOM 0 H THR A 48 -5.003 5.470 1.685 1.00 0.00 H new ATOM 0 HA THR A 48 -6.897 7.372 2.875 1.00 0.00 H new ATOM 0 HB THR A 48 -3.978 7.809 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.600 7.404 4.426 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.136 9.645 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.301 9.850 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.855 9.263 4.044 1.00 0.00 H new ATOM 685 N SER A 49 -7.249 8.825 0.874 1.00 0.00 N ATOM 686 CA SER A 49 -7.583 9.564 -0.337 1.00 0.00 C ATOM 687 C SER A 49 -6.851 10.902 -0.376 1.00 0.00 C ATOM 688 O SER A 49 -6.505 11.480 0.655 1.00 0.00 O ATOM 689 CB SER A 49 -9.093 9.793 -0.421 1.00 0.00 C ATOM 690 OG SER A 49 -9.480 10.926 0.339 1.00 0.00 O ATOM 0 H SER A 49 -7.814 9.070 1.687 1.00 0.00 H new ATOM 0 HA SER A 49 -7.265 8.970 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.386 9.932 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.619 8.910 -0.057 1.00 0.00 H new ATOM 0 HG SER A 49 -9.940 11.568 -0.242 1.00 0.00 H new ATOM 696 N PRO A 50 -6.609 11.409 -1.594 1.00 0.00 N ATOM 697 CA PRO A 50 -5.917 12.685 -1.798 1.00 0.00 C ATOM 698 C PRO A 50 -6.760 13.878 -1.363 1.00 0.00 C ATOM 699 O PRO A 50 -6.334 15.027 -1.478 1.00 0.00 O ATOM 700 CB PRO A 50 -5.679 12.721 -3.310 1.00 0.00 C ATOM 701 CG PRO A 50 -6.748 11.855 -3.883 1.00 0.00 C ATOM 702 CD PRO A 50 -6.994 10.775 -2.867 1.00 0.00 C ATOM 0 HA PRO A 50 -5.004 12.752 -1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.744 13.738 -3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.687 12.346 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.656 12.428 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.436 11.430 -4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.038 10.461 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.395 9.887 -3.071 1.00 0.00 H new ATOM 710 N SER A 51 -7.959 13.598 -0.860 1.00 0.00 N ATOM 711 CA SER A 51 -8.864 14.649 -0.410 1.00 0.00 C ATOM 712 C SER A 51 -8.837 14.775 1.110 1.00 0.00 C ATOM 713 O SER A 51 -9.296 15.769 1.670 1.00 0.00 O ATOM 714 CB SER A 51 -10.290 14.361 -0.884 1.00 0.00 C ATOM 715 OG SER A 51 -10.804 13.192 -0.272 1.00 0.00 O ATOM 0 H SER A 51 -8.326 12.652 -0.754 1.00 0.00 H new ATOM 0 HA SER A 51 -8.529 15.592 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.933 15.210 -0.651 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.299 14.242 -1.967 1.00 0.00 H new ATOM 0 HG SER A 51 -11.717 13.030 -0.590 1.00 0.00 H new ATOM 721 N GLY A 52 -8.293 13.757 1.772 1.00 0.00 N ATOM 722 CA GLY A 52 -8.216 13.772 3.221 1.00 0.00 C ATOM 723 C GLY A 52 -9.169 12.784 3.863 1.00 0.00 C ATOM 724 O GLY A 52 -9.467 12.882 5.054 1.00 0.00 O ATOM 0 H GLY A 52 -7.905 12.923 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.196 13.542 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.440 14.775 3.583 1.00 0.00 H new ATOM 728 N ARG A 53 -9.650 11.830 3.073 1.00 0.00 N ATOM 729 CA ARG A 53 -10.578 10.821 3.571 1.00 0.00 C ATOM 730 C ARG A 53 -9.870 9.485 3.774 1.00 0.00 C ATOM 731 O ARG A 53 -9.006 9.101 2.984 1.00 0.00 O ATOM 732 CB ARG A 53 -11.747 10.649 2.599 1.00 0.00 C ATOM 733 CG ARG A 53 -12.884 11.629 2.834 1.00 0.00 C ATOM 734 CD ARG A 53 -13.793 11.730 1.619 1.00 0.00 C ATOM 735 NE ARG A 53 -15.124 12.218 1.971 1.00 0.00 N ATOM 736 CZ ARG A 53 -15.979 11.539 2.727 1.00 0.00 C ATOM 737 NH1 ARG A 53 -15.644 10.350 3.209 1.00 0.00 N ATOM 738 NH2 ARG A 53 -17.173 12.050 3.003 1.00 0.00 N ATOM 0 H ARG A 53 -9.413 11.734 2.086 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.962 11.159 4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.381 10.768 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.132 9.633 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.466 11.312 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.476 12.612 3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.344 12.399 0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.879 10.751 1.148 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.412 13.130 1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.727 9.955 2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.303 9.831 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.434 12.965 2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.829 11.528 3.584 1.00 0.00 H new ATOM 752 N VAL A 54 -10.241 8.780 4.838 1.00 0.00 N ATOM 753 CA VAL A 54 -9.642 7.486 5.145 1.00 0.00 C ATOM 754 C VAL A 54 -10.683 6.373 5.092 1.00 0.00 C ATOM 755 O VAL A 54 -11.764 6.490 5.670 1.00 0.00 O ATOM 756 CB VAL A 54 -8.980 7.490 6.535 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.398 6.121 6.854 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.906 8.565 6.611 1.00 0.00 C ATOM 0 H VAL A 54 -10.954 9.083 5.502 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.879 7.302 4.389 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.743 7.717 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.934 6.144 7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.194 5.376 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.648 5.861 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.449 8.553 7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.143 8.371 5.857 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.355 9.542 6.430 1.00 0.00 H new ATOM 768 N THR A 55 -10.349 5.291 4.396 1.00 0.00 N ATOM 769 CA THR A 55 -11.254 4.156 4.267 1.00 0.00 C ATOM 770 C THR A 55 -10.692 2.922 4.965 1.00 0.00 C ATOM 771 O THR A 55 -9.596 2.960 5.524 1.00 0.00 O ATOM 772 CB THR A 55 -11.524 3.817 2.789 1.00 0.00 C ATOM 773 OG1 THR A 55 -10.310 3.913 2.035 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.568 4.755 2.201 1.00 0.00 C ATOM 0 H THR A 55 -9.458 5.177 3.913 1.00 0.00 H new ATOM 0 HA THR A 55 -12.191 4.444 4.743 1.00 0.00 H new ATOM 0 HB THR A 55 -11.904 2.797 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.480 3.648 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.742 4.497 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.499 4.658 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.211 5.783 2.266 1.00 0.00 H new ATOM 782 N GLU A 56 -11.449 1.830 4.927 1.00 0.00 N ATOM 783 CA GLU A 56 -11.024 0.585 5.557 1.00 0.00 C ATOM 784 C GLU A 56 -10.939 -0.542 4.531 1.00 0.00 C ATOM 785 O GLU A 56 -11.700 -0.575 3.565 1.00 0.00 O ATOM 786 CB GLU A 56 -11.992 0.198 6.676 1.00 0.00 C ATOM 787 CG GLU A 56 -11.559 -1.031 7.457 1.00 0.00 C ATOM 788 CD GLU A 56 -12.583 -1.455 8.493 1.00 0.00 C ATOM 789 OE1 GLU A 56 -13.724 -1.779 8.100 1.00 0.00 O ATOM 790 OE2 GLU A 56 -12.244 -1.463 9.694 1.00 0.00 O ATOM 0 H GLU A 56 -12.358 1.782 4.467 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.033 0.742 5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.094 1.038 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.977 0.017 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.386 -1.855 6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.610 -0.826 7.952 1.00 0.00 H new ATOM 797 N ALA A 57 -10.006 -1.462 4.749 1.00 0.00 N ATOM 798 CA ALA A 57 -9.821 -2.591 3.845 1.00 0.00 C ATOM 799 C ALA A 57 -9.872 -3.914 4.602 1.00 0.00 C ATOM 800 O ALA A 57 -9.513 -3.981 5.777 1.00 0.00 O ATOM 801 CB ALA A 57 -8.502 -2.459 3.098 1.00 0.00 C ATOM 0 H ALA A 57 -9.366 -1.448 5.543 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.637 -2.584 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.377 -3.309 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.503 -1.536 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.680 -2.438 3.813 1.00 0.00 H new ATOM 807 N GLU A 58 -10.321 -4.963 3.921 1.00 0.00 N ATOM 808 CA GLU A 58 -10.421 -6.284 4.531 1.00 0.00 C ATOM 809 C GLU A 58 -9.236 -7.159 4.131 1.00 0.00 C ATOM 810 O GLU A 58 -8.792 -7.133 2.983 1.00 0.00 O ATOM 811 CB GLU A 58 -11.730 -6.962 4.122 1.00 0.00 C ATOM 812 CG GLU A 58 -11.896 -8.360 4.693 1.00 0.00 C ATOM 813 CD GLU A 58 -13.248 -8.966 4.371 1.00 0.00 C ATOM 814 OE1 GLU A 58 -13.831 -8.597 3.330 1.00 0.00 O ATOM 815 OE2 GLU A 58 -13.723 -9.810 5.160 1.00 0.00 O ATOM 0 H GLU A 58 -10.621 -4.924 2.947 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.409 -6.158 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.567 -6.344 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.777 -7.015 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.110 -9.005 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.767 -8.324 5.775 1.00 0.00 H new ATOM 822 N ILE A 59 -8.729 -7.931 5.086 1.00 0.00 N ATOM 823 CA ILE A 59 -7.597 -8.813 4.834 1.00 0.00 C ATOM 824 C ILE A 59 -8.028 -10.276 4.841 1.00 0.00 C ATOM 825 O ILE A 59 -7.910 -10.964 5.855 1.00 0.00 O ATOM 826 CB ILE A 59 -6.483 -8.613 5.879 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.083 -7.138 5.953 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.278 -9.478 5.541 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.172 -6.817 7.117 1.00 0.00 C ATOM 0 H ILE A 59 -9.085 -7.963 6.041 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.210 -8.555 3.848 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.861 -8.917 6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.585 -6.858 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.984 -6.529 6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.499 -9.326 6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.574 -10.527 5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.896 -9.202 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.929 -5.754 7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.675 -7.066 8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.255 -7.399 7.032 1.00 0.00 H new ATOM 841 N VAL A 60 -8.526 -10.746 3.701 1.00 0.00 N ATOM 842 CA VAL A 60 -8.972 -12.128 3.574 1.00 0.00 C ATOM 843 C VAL A 60 -7.878 -13.100 4.004 1.00 0.00 C ATOM 844 O VAL A 60 -6.700 -12.925 3.693 1.00 0.00 O ATOM 845 CB VAL A 60 -9.391 -12.452 2.128 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.809 -13.910 2.007 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.514 -11.529 1.680 1.00 0.00 C ATOM 0 H VAL A 60 -8.630 -10.190 2.853 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.835 -12.243 4.229 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.534 -12.289 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.102 -14.120 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.973 -14.552 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.652 -14.103 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.798 -11.772 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.375 -11.659 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.175 -10.494 1.727 1.00 0.00 H new ATOM 857 N PRO A 61 -8.276 -14.151 4.737 1.00 0.00 N ATOM 858 CA PRO A 61 -7.345 -15.173 5.225 1.00 0.00 C ATOM 859 C PRO A 61 -6.795 -16.042 4.099 1.00 0.00 C ATOM 860 O PRO A 61 -7.512 -16.867 3.534 1.00 0.00 O ATOM 861 CB PRO A 61 -8.204 -16.010 6.176 1.00 0.00 C ATOM 862 CG PRO A 61 -9.599 -15.823 5.690 1.00 0.00 C ATOM 863 CD PRO A 61 -9.664 -14.422 5.146 1.00 0.00 C ATOM 0 HA PRO A 61 -6.467 -14.732 5.698 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.914 -17.060 6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.096 -15.674 7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.845 -16.553 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.316 -15.961 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.353 -14.349 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.006 -13.713 5.900 1.00 0.00 H new ATOM 871 N MET A 62 -5.520 -15.850 3.779 1.00 0.00 N ATOM 872 CA MET A 62 -4.874 -16.618 2.721 1.00 0.00 C ATOM 873 C MET A 62 -4.217 -17.874 3.284 1.00 0.00 C ATOM 874 O MET A 62 -4.622 -18.993 2.971 1.00 0.00 O ATOM 875 CB MET A 62 -3.831 -15.761 2.002 1.00 0.00 C ATOM 876 CG MET A 62 -4.433 -14.626 1.188 1.00 0.00 C ATOM 877 SD MET A 62 -5.570 -15.211 -0.083 1.00 0.00 S ATOM 878 CE MET A 62 -4.556 -15.037 -1.550 1.00 0.00 C ATOM 0 H MET A 62 -4.914 -15.169 4.237 1.00 0.00 H new ATOM 0 HA MET A 62 -5.640 -16.919 2.007 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.145 -15.344 2.739 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.242 -16.398 1.342 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.960 -13.945 1.856 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.631 -14.056 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.856 -15.780 -2.290 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.686 -14.038 -1.966 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.509 -15.187 -1.288 1.00 0.00 H new ATOM 888 N GLY A 63 -3.198 -17.681 4.117 1.00 0.00 N ATOM 889 CA GLY A 63 -2.501 -18.807 4.710 1.00 0.00 C ATOM 890 C GLY A 63 -1.860 -18.457 6.039 1.00 0.00 C ATOM 891 O GLY A 63 -2.290 -17.524 6.718 1.00 0.00 O ATOM 0 H GLY A 63 -2.843 -16.765 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.202 -19.630 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.733 -19.159 4.021 1.00 0.00 H new ATOM 895 N LYS A 64 -0.830 -19.209 6.413 1.00 0.00 N ATOM 896 CA LYS A 64 -0.128 -18.975 7.669 1.00 0.00 C ATOM 897 C LYS A 64 0.685 -17.686 7.606 1.00 0.00 C ATOM 898 O LYS A 64 0.732 -16.924 8.571 1.00 0.00 O ATOM 899 CB LYS A 64 0.791 -20.155 7.991 1.00 0.00 C ATOM 900 CG LYS A 64 1.937 -20.319 7.007 1.00 0.00 C ATOM 901 CD LYS A 64 2.572 -21.696 7.115 1.00 0.00 C ATOM 902 CE LYS A 64 1.750 -22.747 6.384 1.00 0.00 C ATOM 903 NZ LYS A 64 2.083 -22.801 4.934 1.00 0.00 N ATOM 0 H LYS A 64 -0.463 -19.986 5.864 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.872 -18.876 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.199 -20.024 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.201 -21.071 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.571 -20.165 5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.691 -19.554 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.579 -21.667 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.668 -21.973 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.927 -23.724 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.689 -22.527 6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.502 -23.529 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.890 -21.876 4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.089 -23.036 4.817 1.00 0.00 H new ATOM 917 N ASN A 65 1.322 -17.449 6.465 1.00 0.00 N ATOM 918 CA ASN A 65 2.133 -16.251 6.276 1.00 0.00 C ATOM 919 C ASN A 65 1.716 -15.505 5.012 1.00 0.00 C ATOM 920 O ASN A 65 2.526 -14.821 4.387 1.00 0.00 O ATOM 921 CB ASN A 65 3.616 -16.620 6.198 1.00 0.00 C ATOM 922 CG ASN A 65 3.986 -17.246 4.867 1.00 0.00 C ATOM 923 OD1 ASN A 65 3.119 -17.688 4.114 1.00 0.00 O ATOM 924 ND2 ASN A 65 5.280 -17.285 4.572 1.00 0.00 N ATOM 0 H ASN A 65 1.293 -18.070 5.657 1.00 0.00 H new ATOM 0 HA ASN A 65 1.973 -15.596 7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.219 -15.726 6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.858 -17.314 7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.590 -17.694 3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.964 -16.906 5.227 1.00 0.00 H new ATOM 931 N SER A 66 0.446 -15.642 4.643 1.00 0.00 N ATOM 932 CA SER A 66 -0.078 -14.984 3.452 1.00 0.00 C ATOM 933 C SER A 66 -1.323 -14.168 3.786 1.00 0.00 C ATOM 934 O SER A 66 -2.089 -14.522 4.683 1.00 0.00 O ATOM 935 CB SER A 66 -0.407 -16.019 2.374 1.00 0.00 C ATOM 936 OG SER A 66 0.771 -16.490 1.744 1.00 0.00 O ATOM 0 H SER A 66 -0.238 -16.202 5.151 1.00 0.00 H new ATOM 0 HA SER A 66 0.689 -14.308 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.944 -16.856 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.069 -15.576 1.630 1.00 0.00 H new ATOM 0 HG SER A 66 0.534 -17.151 1.061 1.00 0.00 H new ATOM 942 N HIS A 67 -1.519 -13.073 3.058 1.00 0.00 N ATOM 943 CA HIS A 67 -2.671 -12.206 3.276 1.00 0.00 C ATOM 944 C HIS A 67 -3.031 -11.450 2.000 1.00 0.00 C ATOM 945 O HIS A 67 -2.154 -11.078 1.219 1.00 0.00 O ATOM 946 CB HIS A 67 -2.385 -11.216 4.405 1.00 0.00 C ATOM 947 CG HIS A 67 -2.290 -11.859 5.755 1.00 0.00 C ATOM 948 ND1 HIS A 67 -3.388 -12.096 6.555 1.00 0.00 N ATOM 949 CD2 HIS A 67 -1.218 -12.317 6.444 1.00 0.00 C ATOM 950 CE1 HIS A 67 -2.996 -12.670 7.678 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.684 -12.815 7.636 1.00 0.00 N ATOM 0 H HIS A 67 -0.895 -12.765 2.312 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.517 -12.832 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.451 -10.695 4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.172 -10.463 4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.189 -12.295 6.117 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.639 -12.970 8.492 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.110 -13.230 8.370 1.00 0.00 H new ATOM 959 N CYS A 68 -4.324 -11.227 1.795 1.00 0.00 N ATOM 960 CA CYS A 68 -4.800 -10.517 0.613 1.00 0.00 C ATOM 961 C CYS A 68 -5.810 -9.440 0.996 1.00 0.00 C ATOM 962 O CYS A 68 -6.678 -9.660 1.840 1.00 0.00 O ATOM 963 CB CYS A 68 -5.432 -11.497 -0.376 1.00 0.00 C ATOM 964 SG CYS A 68 -5.305 -10.984 -2.106 1.00 0.00 S ATOM 0 H CYS A 68 -5.062 -11.528 2.432 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.944 -10.035 0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.956 -12.471 -0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.484 -11.625 -0.122 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.866 -11.877 -2.866 1.00 0.00 H new ATOM 970 N VAL A 69 -5.689 -8.273 0.370 1.00 0.00 N ATOM 971 CA VAL A 69 -6.590 -7.161 0.646 1.00 0.00 C ATOM 972 C VAL A 69 -7.417 -6.807 -0.585 1.00 0.00 C ATOM 973 O VAL A 69 -6.872 -6.455 -1.632 1.00 0.00 O ATOM 974 CB VAL A 69 -5.816 -5.912 1.107 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.774 -4.765 1.393 1.00 0.00 C ATOM 976 CG2 VAL A 69 -4.973 -6.231 2.333 1.00 0.00 C ATOM 0 H VAL A 69 -4.976 -8.074 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.255 -7.483 1.448 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.147 -5.603 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.209 -3.891 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.331 -4.522 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.470 -5.059 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.433 -5.337 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.621 -6.565 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.261 -7.019 2.090 1.00 0.00 H new ATOM 986 N ARG A 70 -8.736 -6.901 -0.452 1.00 0.00 N ATOM 987 CA ARG A 70 -9.639 -6.591 -1.554 1.00 0.00 C ATOM 988 C ARG A 70 -10.437 -5.323 -1.263 1.00 0.00 C ATOM 989 O ARG A 70 -11.160 -5.246 -0.269 1.00 0.00 O ATOM 990 CB ARG A 70 -10.593 -7.760 -1.804 1.00 0.00 C ATOM 991 CG ARG A 70 -11.426 -8.137 -0.589 1.00 0.00 C ATOM 992 CD ARG A 70 -12.233 -9.402 -0.838 1.00 0.00 C ATOM 993 NE ARG A 70 -11.376 -10.572 -1.012 1.00 0.00 N ATOM 994 CZ ARG A 70 -11.827 -11.763 -1.393 1.00 0.00 C ATOM 995 NH1 ARG A 70 -13.117 -11.939 -1.638 1.00 0.00 N ATOM 996 NH2 ARG A 70 -10.985 -12.779 -1.529 1.00 0.00 N ATOM 0 H ARG A 70 -9.203 -7.189 0.408 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.037 -6.424 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.261 -7.504 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.015 -8.628 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.772 -8.285 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.100 -7.317 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.911 -9.570 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.850 -9.269 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.377 -10.470 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.767 -11.160 -1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.460 -12.854 -1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.991 -12.646 -1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.331 -13.693 -1.821 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.300 -4.330 -2.136 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.006 -3.065 -1.972 1.00 0.00 C ATOM 1012 C PHE A 71 -11.140 -2.340 -3.308 1.00 0.00 C ATOM 1013 O PHE A 71 -10.501 -2.708 -4.293 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.273 -2.174 -0.967 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.868 -1.837 -1.377 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -7.860 -2.784 -1.287 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -8.555 -0.574 -1.853 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -6.566 -2.478 -1.665 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -7.263 -0.262 -2.232 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.267 -1.215 -2.136 1.00 0.00 C ATOM 0 H PHE A 71 -9.706 -4.377 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.005 -3.282 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.836 -1.250 -0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.250 -2.675 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.088 -3.773 -0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.329 0.175 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.790 -3.226 -1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.032 0.726 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.256 -0.972 -2.429 1.00 0.00 H new ATOM 1030 N VAL A 72 -11.978 -1.308 -3.333 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.197 -0.531 -4.546 1.00 0.00 C ATOM 1032 C VAL A 72 -11.483 0.815 -4.473 1.00 0.00 C ATOM 1033 O VAL A 72 -12.017 1.802 -3.968 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.698 -0.290 -4.796 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -13.951 0.032 -6.260 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.510 -1.500 -4.359 1.00 0.00 C ATOM 0 H VAL A 72 -12.516 -0.991 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.788 -1.113 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.015 0.567 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.017 0.199 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.398 0.930 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.620 -0.802 -6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.568 -1.314 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.192 -2.375 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.352 -1.679 -3.296 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.247 0.857 -4.991 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.433 2.076 -4.998 1.00 0.00 C ATOM 1048 C PRO A 73 -9.976 3.131 -5.956 1.00 0.00 C ATOM 1049 O PRO A 73 -9.502 3.259 -7.084 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.061 1.584 -5.466 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.349 0.355 -6.256 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.548 -0.282 -5.610 1.00 0.00 C ATOM 0 HA PRO A 73 -9.417 2.561 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.557 2.336 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.408 1.367 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.552 0.600 -7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.495 -0.323 -6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.176 -0.790 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.257 -1.026 -4.869 1.00 0.00 H new ATOM 1060 N GLN A 74 -10.973 3.882 -5.499 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.580 4.925 -6.317 1.00 0.00 C ATOM 1062 C GLN A 74 -11.415 6.294 -5.665 1.00 0.00 C ATOM 1063 O GLN A 74 -11.988 6.561 -4.609 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.064 4.628 -6.541 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.763 4.065 -5.314 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.238 4.410 -5.274 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.683 5.362 -5.915 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -16.007 3.635 -4.517 1.00 0.00 N ATOM 0 H GLN A 74 -11.377 3.788 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.070 4.939 -7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.567 5.545 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.164 3.920 -7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.647 2.981 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.279 4.450 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.596 2.856 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.008 3.819 -4.451 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.629 7.156 -6.301 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.389 8.497 -5.780 1.00 0.00 C ATOM 1079 C GLU A 75 -10.323 9.517 -6.914 1.00 0.00 C ATOM 1080 O GLU A 75 -10.486 9.172 -8.083 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.089 8.530 -4.974 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.040 7.502 -3.856 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.899 7.890 -2.668 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -10.798 8.739 -2.839 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -9.671 7.345 -1.568 1.00 0.00 O ATOM 0 H GLU A 75 -10.148 6.951 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.220 8.759 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.249 8.362 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.961 9.525 -4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.372 6.537 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.008 7.377 -3.528 1.00 0.00 H new ATOM 1092 N MET A 76 -10.083 10.775 -6.557 1.00 0.00 N ATOM 1093 CA MET A 76 -9.995 11.845 -7.543 1.00 0.00 C ATOM 1094 C MET A 76 -8.540 12.202 -7.830 1.00 0.00 C ATOM 1095 O MET A 76 -8.255 13.185 -8.512 1.00 0.00 O ATOM 1096 CB MET A 76 -10.749 13.083 -7.053 1.00 0.00 C ATOM 1097 CG MET A 76 -12.250 12.872 -6.934 1.00 0.00 C ATOM 1098 SD MET A 76 -13.131 13.278 -8.454 1.00 0.00 S ATOM 1099 CE MET A 76 -14.707 13.820 -7.797 1.00 0.00 C ATOM 0 H MET A 76 -9.946 11.078 -5.593 1.00 0.00 H new ATOM 0 HA MET A 76 -10.453 11.492 -8.467 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.354 13.378 -6.081 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.560 13.909 -7.739 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.447 11.833 -6.671 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.636 13.486 -6.120 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.365 14.106 -8.618 1.00 0.00 H new ATOM 0 HE2 MET A 76 -15.164 13.008 -7.232 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.552 14.677 -7.141 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.623 11.396 -7.303 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.208 11.645 -7.513 1.00 0.00 C ATOM 1111 C GLY A 77 -5.371 10.390 -7.364 1.00 0.00 C ATOM 1112 O GLY A 77 -5.605 9.393 -8.047 1.00 0.00 O ATOM 0 H GLY A 77 -7.834 10.576 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.059 12.061 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.864 12.394 -6.800 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.390 10.439 -6.468 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.514 9.297 -6.231 1.00 0.00 C ATOM 1118 C VAL A 78 -3.960 8.507 -5.006 1.00 0.00 C ATOM 1119 O VAL A 78 -4.413 9.080 -4.015 1.00 0.00 O ATOM 1120 CB VAL A 78 -2.052 9.743 -6.036 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -1.934 10.683 -4.846 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.146 8.534 -5.863 1.00 0.00 C ATOM 0 H VAL A 78 -4.182 11.257 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.578 8.660 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.733 10.283 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.894 10.987 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.552 11.564 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.271 10.172 -3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.117 8.867 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.462 7.965 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.208 7.903 -6.749 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.829 7.186 -5.081 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.218 6.315 -3.977 1.00 0.00 C ATOM 1134 C HIS A 79 -3.006 5.937 -3.131 1.00 0.00 C ATOM 1135 O HIS A 79 -1.942 5.614 -3.660 1.00 0.00 O ATOM 1136 CB HIS A 79 -4.897 5.053 -4.511 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.162 5.326 -5.264 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.285 6.346 -6.184 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.364 4.704 -5.231 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.508 6.341 -6.683 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.183 5.354 -6.122 1.00 0.00 N ATOM 0 H HIS A 79 -3.457 6.696 -5.894 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.923 6.859 -3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.202 4.525 -5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.117 4.388 -3.676 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.547 7.002 -6.439 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.630 3.855 -4.618 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.891 7.027 -7.424 1.00 0.00 H new ATOM 1149 N THR A 80 -3.174 5.980 -1.813 1.00 0.00 N ATOM 1150 CA THR A 80 -2.095 5.644 -0.893 1.00 0.00 C ATOM 1151 C THR A 80 -2.578 4.699 0.200 1.00 0.00 C ATOM 1152 O THR A 80 -3.450 5.048 0.996 1.00 0.00 O ATOM 1153 CB THR A 80 -1.500 6.906 -0.240 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.151 7.861 -1.247 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.271 6.559 0.586 1.00 0.00 C ATOM 0 H THR A 80 -4.048 6.245 -1.359 1.00 0.00 H new ATOM 0 HA THR A 80 -1.322 5.149 -1.481 1.00 0.00 H new ATOM 0 HB THR A 80 -2.253 7.336 0.421 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.775 8.661 -0.823 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.132 7.466 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.547 5.855 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.484 6.108 -0.057 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.006 3.499 0.235 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.378 2.503 1.233 1.00 0.00 C ATOM 1165 C VAL A 81 -1.523 2.637 2.488 1.00 0.00 C ATOM 1166 O VAL A 81 -0.303 2.778 2.408 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.236 1.073 0.679 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.693 0.053 1.710 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -3.021 0.923 -0.616 1.00 0.00 C ATOM 0 H VAL A 81 -1.283 3.193 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.422 2.684 1.487 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.184 0.889 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.585 -0.951 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.083 0.146 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.738 0.232 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.909 -0.093 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.075 1.127 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.641 1.628 -1.355 1.00 0.00 H new ATOM 1179 N SER A 82 -2.173 2.593 3.647 1.00 0.00 N ATOM 1180 CA SER A 82 -1.472 2.712 4.920 1.00 0.00 C ATOM 1181 C SER A 82 -1.530 1.401 5.698 1.00 0.00 C ATOM 1182 O SER A 82 -2.483 1.143 6.433 1.00 0.00 O ATOM 1183 CB SER A 82 -2.080 3.841 5.756 1.00 0.00 C ATOM 1184 OG SER A 82 -1.852 5.102 5.152 1.00 0.00 O ATOM 0 H SER A 82 -3.183 2.476 3.730 1.00 0.00 H new ATOM 0 HA SER A 82 -0.428 2.944 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.152 3.677 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.648 3.830 6.757 1.00 0.00 H new ATOM 0 HG SER A 82 -2.251 5.806 5.704 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.503 0.574 5.529 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.435 -0.711 6.214 1.00 0.00 C ATOM 1192 C VAL A 83 0.567 -0.668 7.363 1.00 0.00 C ATOM 1193 O VAL A 83 1.777 -0.749 7.150 1.00 0.00 O ATOM 1194 CB VAL A 83 -0.042 -1.843 5.247 1.00 0.00 C ATOM 1195 CG1 VAL A 83 0.098 -3.160 5.995 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -1.063 -1.963 4.126 1.00 0.00 C ATOM 0 H VAL A 83 0.294 0.771 4.923 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.430 -0.912 6.610 1.00 0.00 H new ATOM 0 HB VAL A 83 0.924 -1.600 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.376 -3.948 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.870 -3.064 6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.851 -3.413 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.770 -2.768 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.043 -2.183 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.108 -1.025 3.573 1.00 0.00 H new ATOM 1206 N LYS A 84 0.055 -0.541 8.583 1.00 0.00 N ATOM 1207 CA LYS A 84 0.904 -0.490 9.767 1.00 0.00 C ATOM 1208 C LYS A 84 0.699 -1.726 10.637 1.00 0.00 C ATOM 1209 O LYS A 84 -0.409 -2.254 10.732 1.00 0.00 O ATOM 1210 CB LYS A 84 0.606 0.773 10.578 1.00 0.00 C ATOM 1211 CG LYS A 84 1.229 2.030 9.997 1.00 0.00 C ATOM 1212 CD LYS A 84 1.043 3.223 10.920 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.276 3.932 10.654 1.00 0.00 C ATOM 1214 NZ LYS A 84 -0.313 5.286 11.273 1.00 0.00 N ATOM 0 H LYS A 84 -0.944 -0.472 8.777 1.00 0.00 H new ATOM 0 HA LYS A 84 1.943 -0.467 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.474 0.908 10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.969 0.635 11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.293 1.864 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.779 2.245 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.076 2.890 11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.868 3.923 10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.430 4.020 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.097 3.331 11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.228 5.736 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.191 5.201 12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.454 5.868 10.881 1.00 0.00 H new ATOM 1228 N TYR A 85 1.773 -2.182 11.272 1.00 0.00 N ATOM 1229 CA TYR A 85 1.711 -3.356 12.134 1.00 0.00 C ATOM 1230 C TYR A 85 2.057 -2.993 13.575 1.00 0.00 C ATOM 1231 O TYR A 85 3.224 -2.794 13.913 1.00 0.00 O ATOM 1232 CB TYR A 85 2.664 -4.439 11.625 1.00 0.00 C ATOM 1233 CG TYR A 85 2.966 -5.509 12.650 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.945 -6.249 13.232 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.273 -5.780 13.036 1.00 0.00 C ATOM 1236 CE1 TYR A 85 2.216 -7.227 14.169 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.554 -6.757 13.971 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.522 -7.478 14.535 1.00 0.00 C ATOM 1239 OH TYR A 85 3.797 -8.452 15.467 1.00 0.00 O ATOM 0 H TYR A 85 2.697 -1.756 11.206 1.00 0.00 H new ATOM 0 HA TYR A 85 0.691 -3.739 12.111 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.231 -4.906 10.741 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.598 -3.972 11.313 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.921 -6.056 12.947 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.083 -5.217 12.597 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.410 -7.792 14.613 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.576 -6.955 14.259 1.00 0.00 H new ATOM 0 HH TYR A 85 4.765 -8.503 15.611 1.00 0.00 H new ATOM 1249 N ARG A 86 1.035 -2.910 14.420 1.00 0.00 N ATOM 1250 CA ARG A 86 1.230 -2.571 15.824 1.00 0.00 C ATOM 1251 C ARG A 86 1.844 -1.182 15.968 1.00 0.00 C ATOM 1252 O ARG A 86 2.601 -0.920 16.902 1.00 0.00 O ATOM 1253 CB ARG A 86 2.126 -3.609 16.502 1.00 0.00 C ATOM 1254 CG ARG A 86 1.495 -4.989 16.598 1.00 0.00 C ATOM 1255 CD ARG A 86 2.394 -5.962 17.344 1.00 0.00 C ATOM 1256 NE ARG A 86 2.313 -5.783 18.791 1.00 0.00 N ATOM 1257 CZ ARG A 86 2.672 -6.714 19.668 1.00 0.00 C ATOM 1258 NH1 ARG A 86 3.134 -7.883 19.247 1.00 0.00 N ATOM 1259 NH2 ARG A 86 2.569 -6.476 20.969 1.00 0.00 N ATOM 0 H ARG A 86 0.063 -3.073 14.157 1.00 0.00 H new ATOM 0 HA ARG A 86 0.254 -2.570 16.310 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.062 -3.685 15.949 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.375 -3.262 17.505 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.534 -4.916 17.107 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.297 -5.370 15.596 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.113 -6.984 17.089 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.425 -5.825 17.019 1.00 0.00 H new ATOM 0 HE ARG A 86 1.962 -4.894 19.148 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.215 -8.069 18.247 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.409 -8.596 19.923 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.214 -5.578 21.297 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.845 -7.191 21.642 1.00 0.00 H new ATOM 1273 N GLY A 87 1.513 -0.294 15.035 1.00 0.00 N ATOM 1274 CA GLY A 87 2.041 1.057 15.076 1.00 0.00 C ATOM 1275 C GLY A 87 3.412 1.163 14.438 1.00 0.00 C ATOM 1276 O GLY A 87 4.326 1.751 15.014 1.00 0.00 O ATOM 0 H GLY A 87 0.889 -0.486 14.252 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.352 1.729 14.564 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.099 1.390 16.112 1.00 0.00 H new ATOM 1280 N GLN A 88 3.555 0.590 13.247 1.00 0.00 N ATOM 1281 CA GLN A 88 4.826 0.621 12.533 1.00 0.00 C ATOM 1282 C GLN A 88 4.631 0.281 11.059 1.00 0.00 C ATOM 1283 O GLN A 88 4.162 -0.806 10.719 1.00 0.00 O ATOM 1284 CB GLN A 88 5.816 -0.357 13.168 1.00 0.00 C ATOM 1285 CG GLN A 88 6.292 0.068 14.547 1.00 0.00 C ATOM 1286 CD GLN A 88 7.597 -0.593 14.944 1.00 0.00 C ATOM 1287 OE1 GLN A 88 7.777 -1.798 14.760 1.00 0.00 O ATOM 1288 NE2 GLN A 88 8.517 0.192 15.491 1.00 0.00 N ATOM 0 H GLN A 88 2.807 0.099 12.757 1.00 0.00 H new ATOM 0 HA GLN A 88 5.229 1.631 12.603 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.348 -1.339 13.241 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.680 -0.464 12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.417 1.151 14.566 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.526 -0.177 15.283 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.326 1.185 15.625 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.415 -0.198 15.777 1.00 0.00 H new ATOM 1297 N HIS A 89 4.992 1.217 10.188 1.00 0.00 N ATOM 1298 CA HIS A 89 4.857 1.016 8.750 1.00 0.00 C ATOM 1299 C HIS A 89 5.806 -0.073 8.262 1.00 0.00 C ATOM 1300 O HIS A 89 7.005 -0.035 8.537 1.00 0.00 O ATOM 1301 CB HIS A 89 5.133 2.322 8.003 1.00 0.00 C ATOM 1302 CG HIS A 89 4.014 3.313 8.096 1.00 0.00 C ATOM 1303 ND1 HIS A 89 3.103 3.519 7.081 1.00 0.00 N ATOM 1304 CD2 HIS A 89 3.661 4.158 9.093 1.00 0.00 C ATOM 1305 CE1 HIS A 89 2.240 4.448 7.449 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.556 4.852 8.666 1.00 0.00 N ATOM 0 H HIS A 89 5.380 2.122 10.453 1.00 0.00 H new ATOM 0 HA HIS A 89 3.834 0.699 8.547 1.00 0.00 H new ATOM 0 HB2 HIS A 89 6.042 2.774 8.401 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.322 2.098 6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.156 4.266 10.047 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.416 4.815 6.856 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.060 5.564 9.202 1.00 0.00 H new ATOM 1314 N VAL A 90 5.261 -1.045 7.536 1.00 0.00 N ATOM 1315 CA VAL A 90 6.060 -2.145 7.009 1.00 0.00 C ATOM 1316 C VAL A 90 6.906 -1.692 5.825 1.00 0.00 C ATOM 1317 O VAL A 90 6.919 -0.513 5.471 1.00 0.00 O ATOM 1318 CB VAL A 90 5.171 -3.324 6.569 1.00 0.00 C ATOM 1319 CG1 VAL A 90 4.400 -3.883 7.756 1.00 0.00 C ATOM 1320 CG2 VAL A 90 4.221 -2.890 5.463 1.00 0.00 C ATOM 0 H VAL A 90 4.270 -1.093 7.300 1.00 0.00 H new ATOM 0 HA VAL A 90 6.715 -2.474 7.815 1.00 0.00 H new ATOM 0 HB VAL A 90 5.812 -4.114 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.778 -4.715 7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.102 -4.233 8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.768 -3.102 8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.600 -3.735 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.585 -2.083 5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.796 -2.541 4.605 1.00 0.00 H new ATOM 1330 N THR A 91 7.613 -2.638 5.213 1.00 0.00 N ATOM 1331 CA THR A 91 8.463 -2.337 4.069 1.00 0.00 C ATOM 1332 C THR A 91 7.632 -1.930 2.858 1.00 0.00 C ATOM 1333 O THR A 91 6.712 -2.642 2.456 1.00 0.00 O ATOM 1334 CB THR A 91 9.345 -3.542 3.691 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.985 -4.066 4.859 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.396 -3.144 2.665 1.00 0.00 C ATOM 0 H THR A 91 7.613 -3.619 5.492 1.00 0.00 H new ATOM 0 HA THR A 91 9.104 -1.505 4.362 1.00 0.00 H new ATOM 0 HB THR A 91 8.706 -4.308 3.253 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.542 -4.833 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.006 -4.012 2.414 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.904 -2.774 1.765 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.031 -2.361 3.080 1.00 0.00 H new ATOM 1344 N GLY A 92 7.961 -0.780 2.278 1.00 0.00 N ATOM 1345 CA GLY A 92 7.235 -0.299 1.117 1.00 0.00 C ATOM 1346 C GLY A 92 5.922 0.363 1.488 1.00 0.00 C ATOM 1347 O GLY A 92 4.976 0.366 0.700 1.00 0.00 O ATOM 0 H GLY A 92 8.718 -0.172 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.856 0.412 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.040 -1.133 0.443 1.00 0.00 H new ATOM 1351 N SER A 93 5.864 0.924 2.692 1.00 0.00 N ATOM 1352 CA SER A 93 4.655 1.587 3.168 1.00 0.00 C ATOM 1353 C SER A 93 4.956 3.018 3.601 1.00 0.00 C ATOM 1354 O SER A 93 6.007 3.314 4.170 1.00 0.00 O ATOM 1355 CB SER A 93 4.046 0.807 4.334 1.00 0.00 C ATOM 1356 OG SER A 93 2.635 0.945 4.358 1.00 0.00 O ATOM 0 H SER A 93 6.639 0.933 3.355 1.00 0.00 H new ATOM 0 HA SER A 93 3.939 1.617 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.310 -0.247 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.466 1.165 5.274 1.00 0.00 H new ATOM 0 HG SER A 93 2.236 0.338 3.701 1.00 0.00 H new ATOM 1362 N PRO A 94 4.012 3.930 3.326 1.00 0.00 N ATOM 1363 CA PRO A 94 2.757 3.590 2.649 1.00 0.00 C ATOM 1364 C PRO A 94 2.969 3.225 1.184 1.00 0.00 C ATOM 1365 O PRO A 94 3.991 3.569 0.590 1.00 0.00 O ATOM 1366 CB PRO A 94 1.931 4.874 2.766 1.00 0.00 C ATOM 1367 CG PRO A 94 2.940 5.962 2.901 1.00 0.00 C ATOM 1368 CD PRO A 94 4.096 5.363 3.655 1.00 0.00 C ATOM 0 HA PRO A 94 2.278 2.717 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.304 5.023 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.267 4.840 3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.257 6.324 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.525 6.815 3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.047 5.793 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.008 5.535 4.728 1.00 0.00 H new ATOM 1376 N PHE A 95 1.998 2.526 0.606 1.00 0.00 N ATOM 1377 CA PHE A 95 2.079 2.113 -0.790 1.00 0.00 C ATOM 1378 C PHE A 95 1.331 3.092 -1.691 1.00 0.00 C ATOM 1379 O PHE A 95 0.143 3.346 -1.495 1.00 0.00 O ATOM 1380 CB PHE A 95 1.507 0.705 -0.962 1.00 0.00 C ATOM 1381 CG PHE A 95 2.248 -0.342 -0.181 1.00 0.00 C ATOM 1382 CD1 PHE A 95 1.899 -0.623 1.131 1.00 0.00 C ATOM 1383 CD2 PHE A 95 3.292 -1.047 -0.757 1.00 0.00 C ATOM 1384 CE1 PHE A 95 2.580 -1.585 1.852 1.00 0.00 C ATOM 1385 CE2 PHE A 95 3.976 -2.011 -0.041 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.619 -2.281 1.265 1.00 0.00 C ATOM 0 H PHE A 95 1.145 2.234 1.083 1.00 0.00 H new ATOM 0 HA PHE A 95 3.129 2.108 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.462 0.706 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.526 0.440 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.086 -0.084 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.575 -0.841 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.300 -1.793 2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.789 -2.552 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.151 -3.035 1.827 1.00 0.00 H new ATOM 1396 N GLN A 96 2.035 3.637 -2.677 1.00 0.00 N ATOM 1397 CA GLN A 96 1.438 4.588 -3.607 1.00 0.00 C ATOM 1398 C GLN A 96 1.341 3.992 -5.008 1.00 0.00 C ATOM 1399 O GLN A 96 2.310 3.440 -5.527 1.00 0.00 O ATOM 1400 CB GLN A 96 2.258 5.879 -3.645 1.00 0.00 C ATOM 1401 CG GLN A 96 1.864 6.881 -2.573 1.00 0.00 C ATOM 1402 CD GLN A 96 2.724 8.129 -2.596 1.00 0.00 C ATOM 1403 OE1 GLN A 96 3.889 8.087 -2.994 1.00 0.00 O ATOM 1404 NE2 GLN A 96 2.154 9.250 -2.170 1.00 0.00 N ATOM 0 H GLN A 96 3.020 3.436 -2.853 1.00 0.00 H new ATOM 0 HA GLN A 96 0.431 4.815 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.314 5.633 -3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.144 6.344 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.820 7.162 -2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.942 6.409 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.186 9.240 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.684 10.121 -2.164 1.00 0.00 H new ATOM 1413 N PHE A 97 0.163 4.107 -5.613 1.00 0.00 N ATOM 1414 CA PHE A 97 -0.062 3.578 -6.954 1.00 0.00 C ATOM 1415 C PHE A 97 -1.118 4.396 -7.691 1.00 0.00 C ATOM 1416 O PHE A 97 -2.091 4.858 -7.094 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.494 2.112 -6.881 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.852 1.918 -6.269 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -2.990 1.931 -7.059 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -1.990 1.723 -4.905 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -4.242 1.752 -6.500 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -3.239 1.542 -4.340 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.366 1.558 -5.138 1.00 0.00 C ATOM 0 H PHE A 97 -0.650 4.561 -5.197 1.00 0.00 H new ATOM 0 HA PHE A 97 0.875 3.646 -7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.494 1.691 -7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.241 1.553 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.898 2.083 -8.124 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.112 1.712 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.121 1.764 -7.127 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.333 1.388 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.342 1.419 -4.698 1.00 0.00 H new ATOM 1433 N THR A 98 -0.920 4.572 -8.993 1.00 0.00 N ATOM 1434 CA THR A 98 -1.853 5.335 -9.813 1.00 0.00 C ATOM 1435 C THR A 98 -2.924 4.431 -10.413 1.00 0.00 C ATOM 1436 O THR A 98 -2.627 3.340 -10.901 1.00 0.00 O ATOM 1437 CB THR A 98 -1.126 6.076 -10.951 1.00 0.00 C ATOM 1438 OG1 THR A 98 -0.024 6.823 -10.423 1.00 0.00 O ATOM 1439 CG2 THR A 98 -2.076 7.012 -11.681 1.00 0.00 C ATOM 0 H THR A 98 -0.121 4.196 -9.503 1.00 0.00 H new ATOM 0 HA THR A 98 -2.325 6.067 -9.157 1.00 0.00 H new ATOM 0 HB THR A 98 -0.756 5.335 -11.660 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.434 7.290 -11.153 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.540 7.524 -12.480 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.898 6.437 -12.106 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.472 7.747 -10.981 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.170 4.891 -10.374 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.285 4.125 -10.916 1.00 0.00 C ATOM 1449 C VAL A 99 -5.675 4.626 -12.302 1.00 0.00 C ATOM 1450 O VAL A 99 -5.375 5.761 -12.670 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.516 4.194 -9.993 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.500 3.085 -10.330 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -6.091 4.117 -8.534 1.00 0.00 C ATOM 0 H VAL A 99 -4.433 5.791 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.951 3.090 -10.987 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.016 5.149 -10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.363 3.150 -9.667 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.828 3.191 -11.364 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.016 2.117 -10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.973 4.167 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.567 3.178 -8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.428 4.951 -8.304 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.346 3.771 -13.068 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.767 4.146 -14.406 1.00 0.00 C ATOM 1465 C GLY A 100 -7.917 3.298 -14.911 1.00 0.00 C ATOM 1466 O GLY A 100 -8.051 2.125 -14.561 1.00 0.00 O ATOM 0 H GLY A 100 -6.606 2.826 -12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.064 5.195 -14.409 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.923 4.052 -15.089 1.00 0.00 H new