USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 756 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 56 ASN : amide:sc= -0.309 K(o=-0.34,f=-1.1) USER MOD Set 1.2: A 77 ASN : amide:sc= -0.0348 K(o=-0.34,f=-1.7) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0.00814 USER MOD Set 2.2: A 44 GLN : amide:sc= -4.81! K(o=-4.8!,f=-2.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0297 K(o=-0.03,f=-1.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 37 CYS SG : rot 71:sc= 0.802 USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -0.0248 (180deg=-0.211) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 160:sc= -0.489 USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -5.44! (180deg=-6.98!) USER MOD Single : A 51 ASN : amide:sc= 1.41 K(o=1.4,f=-8.6!) USER MOD Single : A 54 ASN : amide:sc= -1.97! K(o=-2!,f=-1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-2.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0879 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 19:sc= 0.764 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 137:sc= -1.54 (180deg=-2.41!) USER MOD Single : A 83 GLN : amide:sc= -0.501 K(o=-0.5,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.776 K(o=-0.78,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 1.02 K(o=1,f=-4.4!) USER MOD Single : A 97 SER OG : rot 35:sc= 0.103 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 30:sc= -0.0143 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc=-0.00998 (180deg=-0.00998) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 341 N ALA A 24 -11.261 -16.949 3.344 1.00 0.00 N ATOM 342 CA ALA A 24 -9.884 -16.492 3.476 1.00 0.00 C ATOM 343 C ALA A 24 -9.825 -14.989 3.725 1.00 0.00 C ATOM 344 O ALA A 24 -10.547 -14.217 3.092 1.00 0.00 O ATOM 345 CB ALA A 24 -9.086 -16.854 2.232 1.00 0.00 C ATOM 0 HA ALA A 24 -9.442 -16.994 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.059 -16.506 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.090 -17.936 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.536 -16.379 1.360 1.00 0.00 H new ATOM 351 N ILE A 25 -8.963 -14.580 4.650 1.00 0.00 N ATOM 352 CA ILE A 25 -8.812 -13.169 4.982 1.00 0.00 C ATOM 353 C ILE A 25 -7.381 -12.855 5.407 1.00 0.00 C ATOM 354 O ILE A 25 -6.703 -13.689 6.009 1.00 0.00 O ATOM 355 CB ILE A 25 -9.774 -12.749 6.108 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.220 -13.059 5.716 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.610 -11.269 6.421 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.192 -12.971 6.871 1.00 0.00 C ATOM 0 H ILE A 25 -8.359 -15.206 5.183 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.053 -12.605 4.081 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.530 -13.319 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.533 -12.366 4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.265 -14.061 5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.297 -10.988 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.586 -11.076 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.830 -10.682 5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.197 -13.203 6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.904 -13.684 7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.176 -11.962 7.284 1.00 0.00 H new ATOM 370 N LEU A 26 -6.928 -11.647 5.092 1.00 0.00 N ATOM 371 CA LEU A 26 -5.578 -11.220 5.443 1.00 0.00 C ATOM 372 C LEU A 26 -5.612 -9.980 6.331 1.00 0.00 C ATOM 373 O LEU A 26 -6.682 -9.456 6.641 1.00 0.00 O ATOM 374 CB LEU A 26 -4.768 -10.933 4.178 1.00 0.00 C ATOM 375 CG LEU A 26 -4.078 -12.137 3.535 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.039 -12.723 4.479 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.102 -13.192 3.144 1.00 0.00 C ATOM 0 H LEU A 26 -7.476 -10.945 4.594 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.101 -12.028 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.432 -10.483 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.008 -10.190 4.418 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.569 -11.801 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.558 -13.579 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.289 -11.967 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.525 -13.044 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.593 -14.041 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.639 -13.525 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.808 -12.767 2.431 1.00 0.00 H new ATOM 389 N ASP A 27 -4.435 -9.516 6.735 1.00 0.00 N ATOM 390 CA ASP A 27 -4.329 -8.336 7.585 1.00 0.00 C ATOM 391 C ASP A 27 -3.643 -7.193 6.844 1.00 0.00 C ATOM 392 O ASP A 27 -2.421 -7.177 6.700 1.00 0.00 O ATOM 393 CB ASP A 27 -3.556 -8.668 8.863 1.00 0.00 C ATOM 394 CG ASP A 27 -3.063 -7.427 9.580 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.671 -6.352 9.393 1.00 0.00 O ATOM 396 OD2 ASP A 27 -2.071 -7.531 10.331 1.00 0.00 O ATOM 0 H ASP A 27 -3.540 -9.939 6.488 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.337 -8.020 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.197 -9.241 9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.705 -9.303 8.615 1.00 0.00 H new ATOM 401 N PHE A 28 -4.439 -6.237 6.375 1.00 0.00 N ATOM 402 CA PHE A 28 -3.909 -5.090 5.646 1.00 0.00 C ATOM 403 C PHE A 28 -4.486 -3.786 6.190 1.00 0.00 C ATOM 404 O PHE A 28 -5.689 -3.658 6.418 1.00 0.00 O ATOM 405 CB PHE A 28 -4.223 -5.217 4.154 1.00 0.00 C ATOM 406 CG PHE A 28 -3.372 -6.232 3.447 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.760 -7.561 3.387 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.184 -5.857 2.840 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.977 -8.497 2.738 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.397 -6.789 2.189 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.796 -8.110 2.136 1.00 0.00 C ATOM 0 H PHE A 28 -5.453 -6.234 6.487 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.828 -5.073 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.272 -5.487 4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.087 -4.246 3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.685 -7.869 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.869 -4.825 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.289 -9.530 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.472 -6.484 1.723 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.185 -8.839 1.625 1.00 0.00 H new ATOM 421 N PRO A 29 -3.608 -2.795 6.404 1.00 0.00 N ATOM 422 CA PRO A 29 -4.007 -1.484 6.924 1.00 0.00 C ATOM 423 C PRO A 29 -4.816 -0.680 5.911 1.00 0.00 C ATOM 424 O PRO A 29 -4.630 -0.821 4.702 1.00 0.00 O ATOM 425 CB PRO A 29 -2.670 -0.794 7.208 1.00 0.00 C ATOM 426 CG PRO A 29 -1.701 -1.453 6.288 1.00 0.00 C ATOM 427 CD PRO A 29 -2.159 -2.878 6.155 1.00 0.00 C ATOM 0 HA PRO A 29 -4.652 -1.571 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.730 0.278 7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.374 -0.918 8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.685 -0.956 5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.688 -1.404 6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.944 -3.278 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.664 -3.528 6.876 1.00 0.00 H new ATOM 435 N ASP A 30 -5.713 0.161 6.412 1.00 0.00 N ATOM 436 CA ASP A 30 -6.550 0.989 5.550 1.00 0.00 C ATOM 437 C ASP A 30 -5.715 1.661 4.465 1.00 0.00 C ATOM 438 O ASP A 30 -6.115 1.715 3.302 1.00 0.00 O ATOM 439 CB ASP A 30 -7.281 2.047 6.378 1.00 0.00 C ATOM 440 CG ASP A 30 -8.521 1.497 7.055 1.00 0.00 C ATOM 441 OD1 ASP A 30 -9.145 0.573 6.491 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.868 1.989 8.149 1.00 0.00 O ATOM 0 H ASP A 30 -5.880 0.288 7.410 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.285 0.343 5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.604 2.444 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.562 2.879 5.733 1.00 0.00 H new ATOM 447 N LYS A 31 -4.552 2.175 4.854 1.00 0.00 N ATOM 448 CA LYS A 31 -3.659 2.845 3.916 1.00 0.00 C ATOM 449 C LYS A 31 -2.227 2.856 4.441 1.00 0.00 C ATOM 450 O LYS A 31 -1.998 2.791 5.650 1.00 0.00 O ATOM 451 CB LYS A 31 -4.133 4.278 3.664 1.00 0.00 C ATOM 452 CG LYS A 31 -3.990 5.187 4.873 1.00 0.00 C ATOM 453 CD LYS A 31 -3.916 6.649 4.466 1.00 0.00 C ATOM 454 CE LYS A 31 -4.641 7.542 5.461 1.00 0.00 C ATOM 455 NZ LYS A 31 -3.946 7.584 6.777 1.00 0.00 N ATOM 0 H LYS A 31 -4.206 2.140 5.813 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.678 2.292 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.565 4.699 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.179 4.257 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.836 5.038 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.092 4.917 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.872 6.955 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.354 6.775 3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.714 8.552 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.660 7.179 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.471 8.203 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.898 6.624 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.983 7.954 6.649 1.00 0.00 H new ATOM 469 N LEU A 32 -1.267 2.940 3.527 1.00 0.00 N ATOM 470 CA LEU A 32 0.143 2.962 3.898 1.00 0.00 C ATOM 471 C LEU A 32 0.737 4.353 3.703 1.00 0.00 C ATOM 472 O LEU A 32 0.843 4.841 2.578 1.00 0.00 O ATOM 473 CB LEU A 32 0.925 1.941 3.069 1.00 0.00 C ATOM 474 CG LEU A 32 2.288 1.528 3.625 1.00 0.00 C ATOM 475 CD1 LEU A 32 2.710 0.181 3.059 1.00 0.00 C ATOM 476 CD2 LEU A 32 3.334 2.590 3.315 1.00 0.00 C ATOM 0 H LEU A 32 -1.440 2.994 2.523 1.00 0.00 H new ATOM 0 HA LEU A 32 0.219 2.700 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.313 1.046 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.072 2.350 2.069 1.00 0.00 H new ATOM 0 HG LEU A 32 2.204 1.434 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.682 -0.096 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.974 -0.575 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.777 0.247 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.298 2.280 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.416 2.716 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.038 3.536 3.769 1.00 0.00 H new ATOM 488 N ASN A 33 1.123 4.986 4.806 1.00 0.00 N ATOM 489 CA ASN A 33 1.708 6.322 4.756 1.00 0.00 C ATOM 490 C ASN A 33 3.232 6.248 4.741 1.00 0.00 C ATOM 491 O ASN A 33 3.861 5.991 5.768 1.00 0.00 O ATOM 492 CB ASN A 33 1.237 7.152 5.951 1.00 0.00 C ATOM 493 CG ASN A 33 1.281 6.372 7.251 1.00 0.00 C ATOM 494 OD1 ASN A 33 0.424 5.527 7.510 1.00 0.00 O ATOM 495 ND2 ASN A 33 2.284 6.652 8.075 1.00 0.00 N ATOM 0 H ASN A 33 1.042 4.596 5.745 1.00 0.00 H new ATOM 0 HA ASN A 33 1.377 6.803 3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.863 8.040 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.219 7.497 5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.367 6.159 8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.972 7.360 7.819 1.00 0.00 H new ATOM 502 N PHE A 34 3.818 6.475 3.571 1.00 0.00 N ATOM 503 CA PHE A 34 5.268 6.435 3.422 1.00 0.00 C ATOM 504 C PHE A 34 5.918 7.646 4.085 1.00 0.00 C ATOM 505 O PHE A 34 5.762 8.777 3.624 1.00 0.00 O ATOM 506 CB PHE A 34 5.649 6.385 1.941 1.00 0.00 C ATOM 507 CG PHE A 34 5.754 4.989 1.395 1.00 0.00 C ATOM 508 CD1 PHE A 34 4.620 4.300 0.997 1.00 0.00 C ATOM 509 CD2 PHE A 34 6.987 4.367 1.282 1.00 0.00 C ATOM 510 CE1 PHE A 34 4.713 3.016 0.494 1.00 0.00 C ATOM 511 CE2 PHE A 34 7.086 3.083 0.779 1.00 0.00 C ATOM 512 CZ PHE A 34 5.948 2.406 0.387 1.00 0.00 C ATOM 0 H PHE A 34 3.311 6.689 2.712 1.00 0.00 H new ATOM 0 HA PHE A 34 5.633 5.534 3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.907 6.937 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.603 6.893 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.652 4.772 1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.880 4.891 1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.822 2.490 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.053 2.610 0.693 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.023 1.402 -0.003 1.00 0.00 H new ATOM 522 N SER A 35 6.645 7.400 5.170 1.00 0.00 N ATOM 523 CA SER A 35 7.315 8.471 5.900 1.00 0.00 C ATOM 524 C SER A 35 8.145 9.335 4.956 1.00 0.00 C ATOM 525 O SER A 35 8.208 9.079 3.753 1.00 0.00 O ATOM 526 CB SER A 35 8.210 7.887 6.995 1.00 0.00 C ATOM 527 OG SER A 35 8.500 8.857 7.987 1.00 0.00 O ATOM 0 H SER A 35 6.785 6.469 5.563 1.00 0.00 H new ATOM 0 HA SER A 35 6.551 9.097 6.360 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.717 7.030 7.453 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.139 7.523 6.555 1.00 0.00 H new ATOM 0 HG SER A 35 9.072 8.459 8.676 1.00 0.00 H new ATOM 533 N THR A 36 8.781 10.363 5.510 1.00 0.00 N ATOM 534 CA THR A 36 9.606 11.267 4.719 1.00 0.00 C ATOM 535 C THR A 36 10.623 10.497 3.885 1.00 0.00 C ATOM 536 O THR A 36 11.420 9.725 4.419 1.00 0.00 O ATOM 537 CB THR A 36 10.351 12.275 5.615 1.00 0.00 C ATOM 538 OG1 THR A 36 9.530 12.643 6.728 1.00 0.00 O ATOM 539 CG2 THR A 36 10.734 13.519 4.827 1.00 0.00 C ATOM 0 H THR A 36 8.740 10.590 6.504 1.00 0.00 H new ATOM 0 HA THR A 36 8.933 11.809 4.055 1.00 0.00 H new ATOM 0 HB THR A 36 11.262 11.800 5.979 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.012 13.282 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.259 14.216 5.480 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.384 13.239 3.998 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.834 13.994 4.437 1.00 0.00 H new ATOM 547 N CYS A 37 10.590 10.711 2.575 1.00 0.00 N ATOM 548 CA CYS A 37 11.509 10.036 1.666 1.00 0.00 C ATOM 549 C CYS A 37 11.902 10.951 0.511 1.00 0.00 C ATOM 550 O CYS A 37 11.200 11.905 0.176 1.00 0.00 O ATOM 551 CB CYS A 37 10.875 8.754 1.125 1.00 0.00 C ATOM 552 SG CYS A 37 10.418 7.559 2.403 1.00 0.00 S ATOM 0 H CYS A 37 9.936 11.347 2.118 1.00 0.00 H new ATOM 0 HA CYS A 37 12.409 9.779 2.224 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.985 9.015 0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.572 8.281 0.433 1.00 0.00 H new ATOM 0 HG CYS A 37 9.393 8.004 3.067 1.00 0.00 H new ATOM 558 N PRO A 38 13.052 10.655 -0.113 1.00 0.00 N ATOM 559 CA PRO A 38 13.565 11.440 -1.240 1.00 0.00 C ATOM 560 C PRO A 38 12.723 11.266 -2.499 1.00 0.00 C ATOM 561 O PRO A 38 12.334 10.151 -2.848 1.00 0.00 O ATOM 562 CB PRO A 38 14.972 10.875 -1.455 1.00 0.00 C ATOM 563 CG PRO A 38 14.909 9.487 -0.916 1.00 0.00 C ATOM 564 CD PRO A 38 13.940 9.533 0.233 1.00 0.00 C ATOM 0 HA PRO A 38 13.548 12.510 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.243 10.878 -2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.721 11.469 -0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.575 8.786 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.892 9.152 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.387 8.599 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.450 9.702 1.182 1.00 0.00 H new ATOM 572 N VAL A 39 12.446 12.374 -3.179 1.00 0.00 N ATOM 573 CA VAL A 39 11.651 12.343 -4.401 1.00 0.00 C ATOM 574 C VAL A 39 12.352 11.541 -5.491 1.00 0.00 C ATOM 575 O VAL A 39 11.864 10.494 -5.918 1.00 0.00 O ATOM 576 CB VAL A 39 11.371 13.764 -4.924 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.648 14.590 -4.940 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.746 13.708 -6.310 1.00 0.00 C ATOM 0 H VAL A 39 12.761 13.305 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 39 10.705 11.863 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 39 10.663 14.247 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.429 15.591 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.049 14.659 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.382 14.113 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.555 14.721 -6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.428 13.206 -6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.807 13.157 -6.264 1.00 0.00 H new ATOM 588 N LYS A 40 13.499 12.038 -5.940 1.00 0.00 N ATOM 589 CA LYS A 40 14.270 11.368 -6.980 1.00 0.00 C ATOM 590 C LYS A 40 14.581 9.928 -6.584 1.00 0.00 C ATOM 591 O LYS A 40 14.124 8.984 -7.229 1.00 0.00 O ATOM 592 CB LYS A 40 15.571 12.127 -7.249 1.00 0.00 C ATOM 593 CG LYS A 40 15.467 13.128 -8.386 1.00 0.00 C ATOM 594 CD LYS A 40 14.519 14.265 -8.044 1.00 0.00 C ATOM 595 CE LYS A 40 14.671 15.429 -9.012 1.00 0.00 C ATOM 596 NZ LYS A 40 15.965 16.141 -8.825 1.00 0.00 N ATOM 0 H LYS A 40 13.916 12.904 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 40 13.670 11.355 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.871 12.651 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.359 11.410 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.455 13.531 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.119 12.622 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.491 13.903 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.713 14.608 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.604 15.061 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.848 16.129 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.922 17.068 -9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.143 16.276 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.734 15.577 -9.240 1.00 0.00 H new ATOM 610 N TYR A 41 15.361 9.768 -5.521 1.00 0.00 N ATOM 611 CA TYR A 41 15.734 8.443 -5.040 1.00 0.00 C ATOM 612 C TYR A 41 14.501 7.567 -4.845 1.00 0.00 C ATOM 613 O TYR A 41 13.398 8.068 -4.625 1.00 0.00 O ATOM 614 CB TYR A 41 16.508 8.554 -3.725 1.00 0.00 C ATOM 615 CG TYR A 41 17.859 9.217 -3.872 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.857 8.641 -4.648 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.137 10.419 -3.234 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.093 9.243 -4.784 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.370 11.029 -3.366 1.00 0.00 C ATOM 620 CZ TYR A 41 20.344 10.437 -4.142 1.00 0.00 C ATOM 621 OH TYR A 41 21.574 11.041 -4.274 1.00 0.00 O ATOM 0 H TYR A 41 15.747 10.539 -4.976 1.00 0.00 H new ATOM 0 HA TYR A 41 16.372 7.978 -5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.911 9.119 -3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.646 7.556 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.663 7.707 -5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.377 10.885 -2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.858 8.781 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.570 11.964 -2.864 1.00 0.00 H new ATOM 0 HH TYR A 41 21.586 11.875 -3.759 1.00 0.00 H new ATOM 631 N SER A 42 14.696 6.254 -4.927 1.00 0.00 N ATOM 632 CA SER A 42 13.600 5.307 -4.762 1.00 0.00 C ATOM 633 C SER A 42 13.389 4.970 -3.289 1.00 0.00 C ATOM 634 O SER A 42 14.304 5.094 -2.474 1.00 0.00 O ATOM 635 CB SER A 42 13.880 4.028 -5.554 1.00 0.00 C ATOM 636 OG SER A 42 15.178 3.531 -5.278 1.00 0.00 O ATOM 0 H SER A 42 15.603 5.823 -5.107 1.00 0.00 H new ATOM 0 HA SER A 42 12.691 5.772 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.137 3.271 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.783 4.229 -6.621 1.00 0.00 H new ATOM 0 HG SER A 42 15.332 2.713 -5.795 1.00 0.00 H new ATOM 642 N THR A 43 12.175 4.543 -2.954 1.00 0.00 N ATOM 643 CA THR A 43 11.842 4.189 -1.580 1.00 0.00 C ATOM 644 C THR A 43 11.441 2.723 -1.472 1.00 0.00 C ATOM 645 O THR A 43 10.808 2.175 -2.374 1.00 0.00 O ATOM 646 CB THR A 43 10.697 5.065 -1.037 1.00 0.00 C ATOM 647 OG1 THR A 43 11.132 6.424 -0.922 1.00 0.00 O ATOM 648 CG2 THR A 43 10.228 4.561 0.320 1.00 0.00 C ATOM 0 H THR A 43 11.406 4.434 -3.616 1.00 0.00 H new ATOM 0 HA THR A 43 12.737 4.362 -0.982 1.00 0.00 H new ATOM 0 HB THR A 43 9.863 5.009 -1.736 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.352 7.016 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.419 5.195 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.870 3.536 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.058 4.591 1.026 1.00 0.00 H new ATOM 656 N GLN A 44 11.812 2.093 -0.362 1.00 0.00 N ATOM 657 CA GLN A 44 11.489 0.689 -0.137 1.00 0.00 C ATOM 658 C GLN A 44 10.964 0.471 1.278 1.00 0.00 C ATOM 659 O GLN A 44 11.375 1.154 2.217 1.00 0.00 O ATOM 660 CB GLN A 44 12.722 -0.184 -0.376 1.00 0.00 C ATOM 661 CG GLN A 44 13.082 -0.339 -1.845 1.00 0.00 C ATOM 662 CD GLN A 44 13.793 0.878 -2.403 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.920 1.186 -2.015 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.136 1.579 -3.319 1.00 0.00 N ATOM 0 H GLN A 44 12.336 2.532 0.395 1.00 0.00 H new ATOM 0 HA GLN A 44 10.708 0.404 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.571 0.248 0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.547 -1.171 0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.718 -1.215 -1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.174 -0.520 -2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.203 1.288 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.564 2.409 -3.730 1.00 0.00 H new ATOM 673 N LYS A 45 10.053 -0.485 1.426 1.00 0.00 N ATOM 674 CA LYS A 45 9.472 -0.795 2.726 1.00 0.00 C ATOM 675 C LYS A 45 8.887 -2.204 2.739 1.00 0.00 C ATOM 676 O LYS A 45 8.626 -2.787 1.686 1.00 0.00 O ATOM 677 CB LYS A 45 8.385 0.223 3.077 1.00 0.00 C ATOM 678 CG LYS A 45 8.857 1.318 4.018 1.00 0.00 C ATOM 679 CD LYS A 45 7.911 2.507 4.011 1.00 0.00 C ATOM 680 CE LYS A 45 6.690 2.252 4.881 1.00 0.00 C ATOM 681 NZ LYS A 45 5.907 1.077 4.408 1.00 0.00 N ATOM 0 H LYS A 45 9.701 -1.059 0.660 1.00 0.00 H new ATOM 0 HA LYS A 45 10.265 -0.743 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.016 0.679 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.544 -0.299 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.935 0.920 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.855 1.645 3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.436 3.393 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.594 2.715 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.006 2.087 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.053 3.137 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.935 1.138 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.887 1.069 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.351 0.202 4.753 1.00 0.00 H new ATOM 695 N ILE A 46 8.681 -2.743 3.936 1.00 0.00 N ATOM 696 CA ILE A 46 8.125 -4.082 4.084 1.00 0.00 C ATOM 697 C ILE A 46 6.812 -4.049 4.860 1.00 0.00 C ATOM 698 O ILE A 46 6.627 -3.221 5.753 1.00 0.00 O ATOM 699 CB ILE A 46 9.108 -5.024 4.803 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.427 -5.106 4.030 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.496 -6.408 4.963 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.504 -5.881 4.755 1.00 0.00 C ATOM 0 H ILE A 46 8.891 -2.273 4.817 1.00 0.00 H new ATOM 0 HA ILE A 46 7.942 -4.460 3.078 1.00 0.00 H new ATOM 0 HB ILE A 46 9.313 -4.622 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.243 -5.573 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.787 -4.096 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.203 -7.062 5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.581 -6.335 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.265 -6.819 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.410 -5.898 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.716 -5.402 5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.164 -6.902 4.928 1.00 0.00 H new ATOM 714 N LEU A 47 5.904 -4.954 4.514 1.00 0.00 N ATOM 715 CA LEU A 47 4.607 -5.031 5.178 1.00 0.00 C ATOM 716 C LEU A 47 4.341 -6.442 5.693 1.00 0.00 C ATOM 717 O LEU A 47 4.125 -7.369 4.911 1.00 0.00 O ATOM 718 CB LEU A 47 3.494 -4.607 4.219 1.00 0.00 C ATOM 719 CG LEU A 47 2.097 -5.145 4.532 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.436 -4.311 5.618 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.239 -5.164 3.275 1.00 0.00 C ATOM 0 H LEU A 47 6.042 -5.646 3.777 1.00 0.00 H new ATOM 0 HA LEU A 47 4.622 -4.351 6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.448 -3.518 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.767 -4.926 3.213 1.00 0.00 H new ATOM 0 HG LEU A 47 2.195 -6.168 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.443 -4.708 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.041 -4.348 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.350 -3.278 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.248 -5.550 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.148 -4.152 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.705 -5.804 2.526 1.00 0.00 H new ATOM 733 N LEU A 48 4.357 -6.598 7.012 1.00 0.00 N ATOM 734 CA LEU A 48 4.115 -7.896 7.631 1.00 0.00 C ATOM 735 C LEU A 48 2.640 -8.273 7.549 1.00 0.00 C ATOM 736 O LEU A 48 1.784 -7.603 8.128 1.00 0.00 O ATOM 737 CB LEU A 48 4.568 -7.879 9.092 1.00 0.00 C ATOM 738 CG LEU A 48 4.705 -9.243 9.769 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.381 -9.989 9.739 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.798 -10.063 9.099 1.00 0.00 C ATOM 0 H LEU A 48 4.535 -5.842 7.673 1.00 0.00 H new ATOM 0 HA LEU A 48 4.692 -8.643 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.530 -7.370 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.858 -7.281 9.664 1.00 0.00 H new ATOM 0 HG LEU A 48 4.985 -9.084 10.810 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.498 -10.957 10.225 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.624 -9.408 10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.070 -10.137 8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.882 -11.031 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.548 -10.213 8.049 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.748 -9.534 9.174 1.00 0.00 H new ATOM 752 N VAL A 49 2.348 -9.350 6.828 1.00 0.00 N ATOM 753 CA VAL A 49 0.976 -9.818 6.673 1.00 0.00 C ATOM 754 C VAL A 49 0.751 -11.122 7.430 1.00 0.00 C ATOM 755 O VAL A 49 1.678 -11.908 7.623 1.00 0.00 O ATOM 756 CB VAL A 49 0.620 -10.031 5.189 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.856 -10.364 5.037 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.984 -8.801 4.372 1.00 0.00 C ATOM 0 H VAL A 49 3.044 -9.915 6.342 1.00 0.00 H new ATOM 0 HA VAL A 49 0.329 -9.045 7.087 1.00 0.00 H new ATOM 0 HB VAL A 49 1.199 -10.874 4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.089 -10.511 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.082 -11.276 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.456 -9.544 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.726 -8.969 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.433 -7.939 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.054 -8.612 4.455 1.00 0.00 H new ATOM 768 N ARG A 50 -0.488 -11.345 7.857 1.00 0.00 N ATOM 769 CA ARG A 50 -0.835 -12.554 8.595 1.00 0.00 C ATOM 770 C ARG A 50 -2.219 -13.057 8.194 1.00 0.00 C ATOM 771 O ARG A 50 -3.219 -12.365 8.378 1.00 0.00 O ATOM 772 CB ARG A 50 -0.795 -12.287 10.101 1.00 0.00 C ATOM 773 CG ARG A 50 -1.174 -13.494 10.943 1.00 0.00 C ATOM 774 CD ARG A 50 -1.731 -13.077 12.295 1.00 0.00 C ATOM 775 NE ARG A 50 -1.581 -14.129 13.297 1.00 0.00 N ATOM 776 CZ ARG A 50 -0.539 -14.220 14.116 1.00 0.00 C ATOM 777 NH1 ARG A 50 0.439 -13.327 14.052 1.00 0.00 N ATOM 778 NH2 ARG A 50 -0.474 -15.206 15.002 1.00 0.00 N ATOM 0 H ARG A 50 -1.267 -10.705 7.705 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.102 -13.322 8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.208 -11.962 10.377 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.472 -11.465 10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.915 -14.092 10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.299 -14.127 11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.220 -12.177 12.636 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.786 -12.824 12.190 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.316 -14.832 13.372 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.393 -12.568 13.373 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.238 -13.399 14.682 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.224 -15.895 15.055 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.326 -15.275 15.630 1.00 0.00 H new ATOM 792 N ASN A 51 -2.267 -14.266 7.644 1.00 0.00 N ATOM 793 CA ASN A 51 -3.527 -14.861 7.215 1.00 0.00 C ATOM 794 C ASN A 51 -4.456 -15.083 8.405 1.00 0.00 C ATOM 795 O ASN A 51 -4.221 -15.962 9.234 1.00 0.00 O ATOM 796 CB ASN A 51 -3.271 -16.189 6.499 1.00 0.00 C ATOM 797 CG ASN A 51 -4.543 -16.804 5.948 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.641 -16.298 6.179 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.400 -17.901 5.214 1.00 0.00 N ATOM 0 H ASN A 51 -1.448 -14.853 7.485 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.009 -14.170 6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.565 -16.029 5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.804 -16.888 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.220 -18.359 4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.470 -18.286 5.048 1.00 0.00 H new ATOM 806 N ILE A 52 -5.513 -14.280 8.481 1.00 0.00 N ATOM 807 CA ILE A 52 -6.478 -14.390 9.568 1.00 0.00 C ATOM 808 C ILE A 52 -7.728 -15.139 9.118 1.00 0.00 C ATOM 809 O ILE A 52 -8.776 -15.058 9.758 1.00 0.00 O ATOM 810 CB ILE A 52 -6.886 -13.004 10.100 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.498 -12.163 8.978 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.685 -12.295 10.707 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.145 -10.885 9.465 1.00 0.00 C ATOM 0 H ILE A 52 -5.722 -13.547 7.803 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.992 -14.948 10.368 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.636 -13.137 10.879 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.720 -11.915 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.243 -12.760 8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.990 -11.317 11.079 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.290 -12.889 11.531 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.914 -12.170 9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.557 -10.340 8.616 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.945 -11.126 10.165 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.399 -10.267 9.965 1.00 0.00 H new ATOM 825 N GLY A 53 -7.610 -15.869 8.013 1.00 0.00 N ATOM 826 CA GLY A 53 -8.738 -16.623 7.498 1.00 0.00 C ATOM 827 C GLY A 53 -8.843 -18.003 8.115 1.00 0.00 C ATOM 828 O GLY A 53 -8.395 -18.223 9.239 1.00 0.00 O ATOM 0 H GLY A 53 -6.753 -15.952 7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.658 -16.071 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.644 -16.718 6.416 1.00 0.00 H new ATOM 832 N ASN A 54 -9.438 -18.935 7.378 1.00 0.00 N ATOM 833 CA ASN A 54 -9.603 -20.302 7.861 1.00 0.00 C ATOM 834 C ASN A 54 -8.772 -21.275 7.032 1.00 0.00 C ATOM 835 O ASN A 54 -8.245 -22.259 7.552 1.00 0.00 O ATOM 836 CB ASN A 54 -11.078 -20.706 7.816 1.00 0.00 C ATOM 837 CG ASN A 54 -11.262 -22.205 7.677 1.00 0.00 C ATOM 838 OD1 ASN A 54 -10.847 -22.976 8.542 1.00 0.00 O ATOM 839 ND2 ASN A 54 -11.887 -22.625 6.583 1.00 0.00 N ATOM 0 H ASN A 54 -9.814 -18.769 6.444 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.254 -20.341 8.893 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.574 -20.364 8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.564 -20.204 6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.040 -23.622 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.214 -21.950 5.892 1.00 0.00 H new ATOM 846 N LYS A 55 -8.657 -20.994 5.738 1.00 0.00 N ATOM 847 CA LYS A 55 -7.888 -21.843 4.835 1.00 0.00 C ATOM 848 C LYS A 55 -6.826 -21.033 4.099 1.00 0.00 C ATOM 849 O LYS A 55 -6.724 -19.820 4.277 1.00 0.00 O ATOM 850 CB LYS A 55 -8.817 -22.522 3.826 1.00 0.00 C ATOM 851 CG LYS A 55 -9.638 -23.654 4.421 1.00 0.00 C ATOM 852 CD LYS A 55 -10.074 -24.646 3.355 1.00 0.00 C ATOM 853 CE LYS A 55 -10.920 -25.763 3.947 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.988 -26.945 3.044 1.00 0.00 N ATOM 0 H LYS A 55 -9.087 -20.184 5.291 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.389 -22.607 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.492 -21.776 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.221 -22.911 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.051 -24.170 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.517 -23.245 4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.643 -24.127 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.195 -25.071 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.503 -26.064 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.927 -25.393 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.573 -27.684 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.409 -26.664 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.029 -27.314 2.882 1.00 0.00 H new ATOM 868 N ASN A 56 -6.038 -21.712 3.272 1.00 0.00 N ATOM 869 CA ASN A 56 -4.984 -21.054 2.508 1.00 0.00 C ATOM 870 C ASN A 56 -5.536 -19.857 1.739 1.00 0.00 C ATOM 871 O ASN A 56 -6.311 -20.016 0.796 1.00 0.00 O ATOM 872 CB ASN A 56 -4.336 -22.043 1.537 1.00 0.00 C ATOM 873 CG ASN A 56 -2.949 -21.606 1.107 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.102 -21.282 1.940 1.00 0.00 O ATOM 875 ND2 ASN A 56 -2.710 -21.597 -0.199 1.00 0.00 N ATOM 0 H ASN A 56 -6.109 -22.717 3.114 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.230 -20.697 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.275 -23.024 2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.969 -22.151 0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.794 -21.314 -0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.442 -21.874 -0.853 1.00 0.00 H new ATOM 882 N ALA A 57 -5.130 -18.660 2.148 1.00 0.00 N ATOM 883 CA ALA A 57 -5.581 -17.436 1.496 1.00 0.00 C ATOM 884 C ALA A 57 -4.757 -17.144 0.247 1.00 0.00 C ATOM 885 O ALA A 57 -3.527 -17.141 0.290 1.00 0.00 O ATOM 886 CB ALA A 57 -5.510 -16.265 2.465 1.00 0.00 C ATOM 0 H ALA A 57 -4.490 -18.511 2.928 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.618 -17.577 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.850 -15.358 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.148 -16.466 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.481 -16.131 2.800 1.00 0.00 H new ATOM 892 N VAL A 58 -5.443 -16.899 -0.865 1.00 0.00 N ATOM 893 CA VAL A 58 -4.773 -16.605 -2.126 1.00 0.00 C ATOM 894 C VAL A 58 -5.029 -15.166 -2.561 1.00 0.00 C ATOM 895 O VAL A 58 -6.146 -14.807 -2.932 1.00 0.00 O ATOM 896 CB VAL A 58 -5.238 -17.557 -3.244 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.551 -17.215 -4.557 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.973 -19.004 -2.855 1.00 0.00 C ATOM 0 H VAL A 58 -6.462 -16.898 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.705 -16.747 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.312 -17.432 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.892 -17.898 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.796 -16.191 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.472 -17.310 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.308 -19.663 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.905 -19.147 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.516 -19.240 -1.940 1.00 0.00 H new ATOM 908 N PHE A 59 -3.985 -14.345 -2.514 1.00 0.00 N ATOM 909 CA PHE A 59 -4.095 -12.944 -2.902 1.00 0.00 C ATOM 910 C PHE A 59 -3.152 -12.624 -4.059 1.00 0.00 C ATOM 911 O PHE A 59 -1.992 -13.037 -4.060 1.00 0.00 O ATOM 912 CB PHE A 59 -3.785 -12.036 -1.711 1.00 0.00 C ATOM 913 CG PHE A 59 -2.482 -12.356 -1.036 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.361 -13.474 -0.228 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.377 -11.538 -1.211 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.163 -13.772 0.394 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.177 -11.830 -0.592 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.070 -12.948 0.212 1.00 0.00 C ATOM 0 H PHE A 59 -3.053 -14.626 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.119 -12.764 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.765 -11.000 -2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.592 -12.117 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.213 -14.121 -0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.455 -10.662 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.082 -14.648 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.677 -11.185 -0.737 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.867 -13.177 0.698 1.00 0.00 H new ATOM 928 N HIS A 60 -3.660 -11.887 -5.042 1.00 0.00 N ATOM 929 CA HIS A 60 -2.863 -11.511 -6.205 1.00 0.00 C ATOM 930 C HIS A 60 -2.897 -10.001 -6.421 1.00 0.00 C ATOM 931 O HIS A 60 -3.879 -9.459 -6.928 1.00 0.00 O ATOM 932 CB HIS A 60 -3.376 -12.229 -7.453 1.00 0.00 C ATOM 933 CG HIS A 60 -2.556 -11.961 -8.678 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.496 -12.828 -9.748 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.760 -10.914 -8.998 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.698 -12.326 -10.674 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.238 -11.165 -10.243 1.00 0.00 N ATOM 0 H HIS A 60 -4.619 -11.539 -5.057 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.831 -11.810 -6.021 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.392 -13.302 -7.264 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.405 -11.923 -7.641 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.571 -10.043 -8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.462 -12.787 -11.622 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.599 -10.554 -10.752 1.00 0.00 H new ATOM 946 N ILE A 61 -1.819 -9.329 -6.033 1.00 0.00 N ATOM 947 CA ILE A 61 -1.726 -7.882 -6.186 1.00 0.00 C ATOM 948 C ILE A 61 -1.019 -7.511 -7.485 1.00 0.00 C ATOM 949 O ILE A 61 -0.085 -8.189 -7.913 1.00 0.00 O ATOM 950 CB ILE A 61 -0.976 -7.239 -5.004 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.568 -7.713 -3.676 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.032 -5.722 -5.104 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.567 -7.739 -2.542 1.00 0.00 C ATOM 0 H ILE A 61 -0.998 -9.763 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.747 -7.500 -6.209 1.00 0.00 H new ATOM 0 HB ILE A 61 0.068 -7.548 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.397 -7.059 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.981 -8.713 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.498 -5.282 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.567 -5.401 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.071 -5.394 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.057 -8.085 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.250 -8.415 -2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.172 -6.736 -2.382 1.00 0.00 H new ATOM 965 N LYS A 62 -1.470 -6.428 -8.109 1.00 0.00 N ATOM 966 CA LYS A 62 -0.881 -5.962 -9.358 1.00 0.00 C ATOM 967 C LYS A 62 -0.883 -4.438 -9.426 1.00 0.00 C ATOM 968 O LYS A 62 -1.824 -3.787 -8.973 1.00 0.00 O ATOM 969 CB LYS A 62 -1.645 -6.537 -10.552 1.00 0.00 C ATOM 970 CG LYS A 62 -3.147 -6.324 -10.473 1.00 0.00 C ATOM 971 CD LYS A 62 -3.564 -5.032 -11.155 1.00 0.00 C ATOM 972 CE LYS A 62 -3.474 -5.147 -12.669 1.00 0.00 C ATOM 973 NZ LYS A 62 -4.696 -5.767 -13.251 1.00 0.00 N ATOM 0 H LYS A 62 -2.243 -5.856 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 62 0.152 -6.308 -9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.269 -6.080 -11.467 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.441 -7.605 -10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.660 -7.165 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.458 -6.302 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.585 -4.781 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.927 -4.216 -10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.328 -4.157 -13.101 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.601 -5.743 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.596 -5.828 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.821 -6.722 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.526 -5.185 -13.017 1.00 0.00 H new ATOM 987 N THR A 63 0.178 -3.874 -9.996 1.00 0.00 N ATOM 988 CA THR A 63 0.298 -2.428 -10.124 1.00 0.00 C ATOM 989 C THR A 63 1.445 -2.051 -11.055 1.00 0.00 C ATOM 990 O THR A 63 2.280 -2.889 -11.397 1.00 0.00 O ATOM 991 CB THR A 63 0.523 -1.760 -8.754 1.00 0.00 C ATOM 992 OG1 THR A 63 0.392 -0.339 -8.875 1.00 0.00 O ATOM 993 CG2 THR A 63 1.900 -2.102 -8.205 1.00 0.00 C ATOM 0 H THR A 63 0.966 -4.398 -10.376 1.00 0.00 H new ATOM 0 HA THR A 63 -0.641 -2.069 -10.546 1.00 0.00 H new ATOM 0 HB THR A 63 -0.230 -2.137 -8.062 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.535 0.078 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.036 -1.619 -7.237 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.987 -3.182 -8.087 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.665 -1.750 -8.897 1.00 0.00 H new ATOM 1001 N CYS A 64 1.480 -0.787 -11.461 1.00 0.00 N ATOM 1002 CA CYS A 64 2.526 -0.299 -12.353 1.00 0.00 C ATOM 1003 C CYS A 64 3.233 0.911 -11.753 1.00 0.00 C ATOM 1004 O CYS A 64 2.693 1.585 -10.874 1.00 0.00 O ATOM 1005 CB CYS A 64 1.934 0.064 -13.716 1.00 0.00 C ATOM 1006 SG CYS A 64 1.252 -1.343 -14.623 1.00 0.00 S ATOM 0 H CYS A 64 0.796 -0.081 -11.187 1.00 0.00 H new ATOM 0 HA CYS A 64 3.258 -1.096 -12.483 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.148 0.806 -13.573 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.708 0.533 -14.323 1.00 0.00 H new ATOM 0 HG CYS A 64 0.774 -0.935 -15.761 1.00 0.00 H new ATOM 1012 N ARG A 65 4.443 1.181 -12.231 1.00 0.00 N ATOM 1013 CA ARG A 65 5.225 2.309 -11.739 1.00 0.00 C ATOM 1014 C ARG A 65 4.411 3.599 -11.792 1.00 0.00 C ATOM 1015 O ARG A 65 3.421 3.708 -12.515 1.00 0.00 O ATOM 1016 CB ARG A 65 6.505 2.468 -12.562 1.00 0.00 C ATOM 1017 CG ARG A 65 7.641 1.570 -12.101 1.00 0.00 C ATOM 1018 CD ARG A 65 8.681 1.382 -13.193 1.00 0.00 C ATOM 1019 NE ARG A 65 8.128 0.709 -14.366 1.00 0.00 N ATOM 1020 CZ ARG A 65 8.842 -0.069 -15.172 1.00 0.00 C ATOM 1021 NH1 ARG A 65 10.130 -0.272 -14.932 1.00 0.00 N ATOM 1022 NH2 ARG A 65 8.267 -0.646 -16.219 1.00 0.00 N ATOM 0 H ARG A 65 4.903 0.634 -12.959 1.00 0.00 H new ATOM 0 HA ARG A 65 5.491 2.109 -10.701 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.284 2.252 -13.607 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.832 3.507 -12.513 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.113 2.002 -11.219 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.242 0.599 -11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.078 2.354 -13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.516 0.801 -12.802 1.00 0.00 H new ATOM 0 HE ARG A 65 7.139 0.844 -14.578 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.575 0.170 -14.127 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.676 -0.870 -15.552 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.276 -0.492 -16.406 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.816 -1.243 -16.837 1.00 0.00 H new ATOM 1036 N PRO A 66 4.836 4.600 -11.006 1.00 0.00 N ATOM 1037 CA PRO A 66 6.013 4.481 -10.140 1.00 0.00 C ATOM 1038 C PRO A 66 5.778 3.531 -8.970 1.00 0.00 C ATOM 1039 O PRO A 66 6.675 3.291 -8.162 1.00 0.00 O ATOM 1040 CB PRO A 66 6.227 5.909 -9.634 1.00 0.00 C ATOM 1041 CG PRO A 66 4.882 6.545 -9.714 1.00 0.00 C ATOM 1042 CD PRO A 66 4.200 5.924 -10.902 1.00 0.00 C ATOM 0 HA PRO A 66 6.871 4.070 -10.672 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.607 5.914 -8.612 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.954 6.442 -10.247 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.312 6.370 -8.801 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.968 7.625 -9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.124 5.842 -10.750 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.350 6.514 -11.806 1.00 0.00 H new ATOM 1050 N PHE A 67 4.566 2.993 -8.885 1.00 0.00 N ATOM 1051 CA PHE A 67 4.213 2.069 -7.813 1.00 0.00 C ATOM 1052 C PHE A 67 4.387 0.621 -8.263 1.00 0.00 C ATOM 1053 O PHE A 67 3.881 0.221 -9.312 1.00 0.00 O ATOM 1054 CB PHE A 67 2.770 2.305 -7.362 1.00 0.00 C ATOM 1055 CG PHE A 67 2.636 3.376 -6.318 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.061 3.152 -5.018 1.00 0.00 C ATOM 1057 CD2 PHE A 67 2.084 4.606 -6.635 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.940 4.135 -4.055 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.961 5.594 -5.676 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.388 5.357 -4.384 1.00 0.00 C ATOM 0 H PHE A 67 3.812 3.181 -9.545 1.00 0.00 H new ATOM 0 HA PHE A 67 4.883 2.253 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.167 2.576 -8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.363 1.373 -6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.492 2.197 -4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.746 4.795 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.277 3.948 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.532 6.550 -5.937 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.290 6.126 -3.632 1.00 0.00 H new ATOM 1070 N SER A 68 5.106 -0.159 -7.463 1.00 0.00 N ATOM 1071 CA SER A 68 5.351 -1.561 -7.781 1.00 0.00 C ATOM 1072 C SER A 68 5.694 -2.351 -6.521 1.00 0.00 C ATOM 1073 O SER A 68 6.438 -1.877 -5.661 1.00 0.00 O ATOM 1074 CB SER A 68 6.486 -1.684 -8.799 1.00 0.00 C ATOM 1075 OG SER A 68 6.058 -1.288 -10.090 1.00 0.00 O ATOM 0 H SER A 68 5.529 0.156 -6.590 1.00 0.00 H new ATOM 0 HA SER A 68 4.440 -1.975 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.328 -1.066 -8.486 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.841 -2.714 -8.830 1.00 0.00 H new ATOM 0 HG SER A 68 5.243 -0.750 -10.014 1.00 0.00 H new ATOM 1081 N ILE A 69 5.147 -3.557 -6.420 1.00 0.00 N ATOM 1082 CA ILE A 69 5.395 -4.414 -5.267 1.00 0.00 C ATOM 1083 C ILE A 69 5.716 -5.840 -5.701 1.00 0.00 C ATOM 1084 O ILE A 69 5.409 -6.242 -6.823 1.00 0.00 O ATOM 1085 CB ILE A 69 4.186 -4.439 -4.314 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.174 -5.494 -4.766 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.534 -3.066 -4.248 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.694 -5.301 -6.187 1.00 0.00 C ATOM 0 H ILE A 69 4.529 -3.963 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 69 6.253 -3.995 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 69 4.535 -4.702 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.626 -6.482 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.315 -5.473 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.681 -3.100 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.258 -2.337 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.196 -2.776 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.979 -6.084 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.213 -4.327 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.544 -5.352 -6.868 1.00 0.00 H new ATOM 1100 N GLU A 70 6.334 -6.601 -4.803 1.00 0.00 N ATOM 1101 CA GLU A 70 6.695 -7.984 -5.094 1.00 0.00 C ATOM 1102 C GLU A 70 6.883 -8.780 -3.805 1.00 0.00 C ATOM 1103 O GLU A 70 7.323 -8.257 -2.781 1.00 0.00 O ATOM 1104 CB GLU A 70 7.977 -8.035 -5.929 1.00 0.00 C ATOM 1105 CG GLU A 70 9.235 -7.740 -5.130 1.00 0.00 C ATOM 1106 CD GLU A 70 9.562 -6.260 -5.081 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.424 -5.588 -6.125 1.00 0.00 O ATOM 1108 OE2 GLU A 70 9.956 -5.774 -4.000 1.00 0.00 O ATOM 0 H GLU A 70 6.595 -6.284 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 70 5.881 -8.433 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.067 -9.023 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.898 -7.317 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.112 -8.115 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.074 -8.279 -5.569 1.00 0.00 H new ATOM 1115 N PRO A 71 6.540 -10.076 -3.856 1.00 0.00 N ATOM 1116 CA PRO A 71 6.015 -10.709 -5.069 1.00 0.00 C ATOM 1117 C PRO A 71 4.612 -10.224 -5.415 1.00 0.00 C ATOM 1118 O PRO A 71 3.792 -9.983 -4.529 1.00 0.00 O ATOM 1119 CB PRO A 71 5.993 -12.197 -4.711 1.00 0.00 C ATOM 1120 CG PRO A 71 5.889 -12.228 -3.225 1.00 0.00 C ATOM 1121 CD PRO A 71 6.639 -11.022 -2.732 1.00 0.00 C ATOM 0 HA PRO A 71 6.620 -10.476 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.148 -12.704 -5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.896 -12.700 -5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.847 -12.197 -2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.318 -13.146 -2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.194 -10.615 -1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.676 -11.262 -2.499 1.00 0.00 H new ATOM 1129 N ALA A 72 4.341 -10.083 -6.708 1.00 0.00 N ATOM 1130 CA ALA A 72 3.036 -9.628 -7.171 1.00 0.00 C ATOM 1131 C ALA A 72 1.922 -10.518 -6.630 1.00 0.00 C ATOM 1132 O ALA A 72 0.801 -10.058 -6.406 1.00 0.00 O ATOM 1133 CB ALA A 72 2.996 -9.597 -8.692 1.00 0.00 C ATOM 0 H ALA A 72 5.009 -10.278 -7.454 1.00 0.00 H new ATOM 0 HA ALA A 72 2.876 -8.618 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.015 -9.255 -9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.762 -8.916 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.182 -10.598 -9.081 1.00 0.00 H new ATOM 1139 N ILE A 73 2.236 -11.792 -6.422 1.00 0.00 N ATOM 1140 CA ILE A 73 1.261 -12.745 -5.906 1.00 0.00 C ATOM 1141 C ILE A 73 1.915 -13.740 -4.954 1.00 0.00 C ATOM 1142 O ILE A 73 3.113 -14.005 -5.043 1.00 0.00 O ATOM 1143 CB ILE A 73 0.573 -13.518 -7.046 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.423 -14.531 -6.476 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.610 -14.217 -7.913 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.254 -15.222 -7.534 1.00 0.00 C ATOM 0 H ILE A 73 3.158 -12.188 -6.603 1.00 0.00 H new ATOM 0 HA ILE A 73 0.511 -12.168 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 73 0.026 -12.809 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.122 -15.283 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.088 -14.022 -5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.108 -14.759 -8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.284 -13.476 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.181 -14.917 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.937 -15.925 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.827 -14.479 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.598 -15.760 -8.218 1.00 0.00 H new ATOM 1158 N GLY A 74 1.119 -14.290 -4.042 1.00 0.00 N ATOM 1159 CA GLY A 74 1.638 -15.252 -3.087 1.00 0.00 C ATOM 1160 C GLY A 74 0.552 -15.839 -2.207 1.00 0.00 C ATOM 1161 O GLY A 74 -0.564 -15.321 -2.156 1.00 0.00 O ATOM 0 H GLY A 74 0.124 -14.087 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.141 -16.057 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.388 -14.769 -2.460 1.00 0.00 H new ATOM 1165 N THR A 75 0.877 -16.925 -1.514 1.00 0.00 N ATOM 1166 CA THR A 75 -0.079 -17.585 -0.634 1.00 0.00 C ATOM 1167 C THR A 75 0.427 -17.618 0.803 1.00 0.00 C ATOM 1168 O THR A 75 1.618 -17.815 1.048 1.00 0.00 O ATOM 1169 CB THR A 75 -0.367 -19.026 -1.098 1.00 0.00 C ATOM 1170 OG1 THR A 75 0.850 -19.779 -1.143 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.024 -19.031 -2.470 1.00 0.00 C ATOM 0 H THR A 75 1.796 -17.367 -1.545 1.00 0.00 H new ATOM 0 HA THR A 75 -1.001 -17.005 -0.678 1.00 0.00 H new ATOM 0 HB THR A 75 -1.051 -19.485 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.658 -20.694 -1.437 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.218 -20.059 -2.777 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.965 -18.482 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.361 -18.556 -3.193 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.483 -17.425 1.751 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.129 -17.433 3.166 1.00 0.00 C ATOM 1181 C LEU A 76 -1.026 -18.387 3.947 1.00 0.00 C ATOM 1182 O LEU A 76 -2.247 -18.373 3.793 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.238 -16.022 3.747 1.00 0.00 C ATOM 1184 CG LEU A 76 0.449 -15.797 5.094 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.952 -15.993 4.967 1.00 0.00 C ATOM 1186 CD2 LEU A 76 0.134 -14.407 5.628 1.00 0.00 C ATOM 0 H LEU A 76 -1.472 -17.261 1.565 1.00 0.00 H new ATOM 0 HA LEU A 76 0.901 -17.778 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.181 -15.320 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.294 -15.775 3.855 1.00 0.00 H new ATOM 0 HG LEU A 76 0.066 -16.532 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.424 -15.829 5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.159 -17.009 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.352 -15.282 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.631 -14.264 6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.488 -13.657 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.943 -14.303 5.759 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.413 -19.215 4.786 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.157 -20.176 5.593 1.00 0.00 C ATOM 1200 C ASN A 77 -1.753 -19.504 6.826 1.00 0.00 C ATOM 1201 O ASN A 77 -1.223 -18.509 7.321 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.246 -21.330 6.016 1.00 0.00 C ATOM 1203 CG ASN A 77 0.157 -22.208 4.847 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.635 -22.450 3.936 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.395 -22.689 4.868 1.00 0.00 N ATOM 0 H ASN A 77 0.597 -19.240 4.925 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.973 -20.570 4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.649 -20.927 6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.757 -21.937 6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.723 -23.285 4.108 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.017 -22.462 5.644 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.857 -20.056 7.319 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.525 -19.513 8.495 1.00 0.00 C ATOM 1214 C VAL A 78 -2.595 -19.513 9.704 1.00 0.00 C ATOM 1215 O VAL A 78 -1.962 -20.522 10.013 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.796 -20.312 8.839 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.444 -19.767 10.103 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.774 -20.283 7.674 1.00 0.00 C ATOM 0 H VAL A 78 -3.308 -20.880 6.921 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.804 -18.487 8.254 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.514 -21.349 9.022 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.340 -20.344 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.743 -19.844 10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.714 -18.722 9.952 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.666 -20.852 7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.052 -19.251 7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.305 -20.724 6.794 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.519 -18.374 10.385 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.664 -18.264 11.553 1.00 0.00 C ATOM 1230 C GLY A 79 -0.254 -17.834 11.201 1.00 0.00 C ATOM 1231 O GLY A 79 0.439 -17.229 12.019 1.00 0.00 O ATOM 0 H GLY A 79 -3.034 -17.526 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.096 -17.546 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.630 -19.225 12.066 1.00 0.00 H new ATOM 1235 N GLU A 80 0.172 -18.147 9.982 1.00 0.00 N ATOM 1236 CA GLU A 80 1.510 -17.790 9.526 1.00 0.00 C ATOM 1237 C GLU A 80 1.530 -16.377 8.950 1.00 0.00 C ATOM 1238 O GLU A 80 0.506 -15.865 8.499 1.00 0.00 O ATOM 1239 CB GLU A 80 1.998 -18.788 8.473 1.00 0.00 C ATOM 1240 CG GLU A 80 2.004 -20.228 8.957 1.00 0.00 C ATOM 1241 CD GLU A 80 3.048 -21.075 8.255 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.152 -20.555 7.987 1.00 0.00 O ATOM 1243 OE2 GLU A 80 2.761 -22.258 7.974 1.00 0.00 O ATOM 0 H GLU A 80 -0.390 -18.647 9.293 1.00 0.00 H new ATOM 0 HA GLU A 80 2.179 -17.823 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.362 -18.713 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.006 -18.513 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.189 -20.246 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.019 -20.665 8.796 1.00 0.00 H new ATOM 1250 N SER A 81 2.703 -15.752 8.971 1.00 0.00 N ATOM 1251 CA SER A 81 2.857 -14.397 8.456 1.00 0.00 C ATOM 1252 C SER A 81 3.940 -14.343 7.383 1.00 0.00 C ATOM 1253 O SER A 81 4.653 -15.320 7.156 1.00 0.00 O ATOM 1254 CB SER A 81 3.200 -13.432 9.592 1.00 0.00 C ATOM 1255 OG SER A 81 2.360 -13.645 10.713 1.00 0.00 O ATOM 0 H SER A 81 3.561 -16.163 9.339 1.00 0.00 H new ATOM 0 HA SER A 81 1.910 -14.096 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.242 -13.565 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.095 -12.404 9.245 1.00 0.00 H new ATOM 0 HG SER A 81 2.600 -13.017 11.426 1.00 0.00 H new ATOM 1261 N MET A 82 4.057 -13.193 6.726 1.00 0.00 N ATOM 1262 CA MET A 82 5.053 -13.010 5.677 1.00 0.00 C ATOM 1263 C MET A 82 5.413 -11.536 5.520 1.00 0.00 C ATOM 1264 O MET A 82 4.769 -10.666 6.105 1.00 0.00 O ATOM 1265 CB MET A 82 4.535 -13.566 4.349 1.00 0.00 C ATOM 1266 CG MET A 82 3.279 -12.872 3.849 1.00 0.00 C ATOM 1267 SD MET A 82 2.328 -13.894 2.708 1.00 0.00 S ATOM 1268 CE MET A 82 3.191 -13.576 1.170 1.00 0.00 C ATOM 0 H MET A 82 3.474 -12.374 6.902 1.00 0.00 H new ATOM 0 HA MET A 82 5.952 -13.556 5.965 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.317 -13.472 3.595 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.331 -14.630 4.465 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.653 -12.605 4.700 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.556 -11.942 3.353 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.320 -14.511 0.625 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.610 -12.880 0.564 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.168 -13.143 1.384 1.00 0.00 H new ATOM 1278 N GLN A 83 6.444 -11.265 4.727 1.00 0.00 N ATOM 1279 CA GLN A 83 6.889 -9.896 4.495 1.00 0.00 C ATOM 1280 C GLN A 83 6.779 -9.531 3.018 1.00 0.00 C ATOM 1281 O GLN A 83 7.280 -10.248 2.151 1.00 0.00 O ATOM 1282 CB GLN A 83 8.332 -9.718 4.970 1.00 0.00 C ATOM 1283 CG GLN A 83 8.458 -9.527 6.473 1.00 0.00 C ATOM 1284 CD GLN A 83 9.862 -9.796 6.979 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.216 -10.936 7.282 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.669 -8.747 7.074 1.00 0.00 N ATOM 0 H GLN A 83 6.987 -11.975 4.235 1.00 0.00 H new ATOM 0 HA GLN A 83 6.242 -9.229 5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.914 -10.590 4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.769 -8.857 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.172 -8.507 6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.759 -10.192 6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.334 -7.820 6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.625 -8.868 7.409 1.00 0.00 H new ATOM 1295 N LEU A 84 6.119 -8.412 2.738 1.00 0.00 N ATOM 1296 CA LEU A 84 5.943 -7.951 1.365 1.00 0.00 C ATOM 1297 C LEU A 84 6.695 -6.646 1.128 1.00 0.00 C ATOM 1298 O LEU A 84 6.400 -5.627 1.751 1.00 0.00 O ATOM 1299 CB LEU A 84 4.457 -7.760 1.058 1.00 0.00 C ATOM 1300 CG LEU A 84 3.582 -9.010 1.166 1.00 0.00 C ATOM 1301 CD1 LEU A 84 2.110 -8.630 1.203 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.861 -9.958 0.009 1.00 0.00 C ATOM 0 H LEU A 84 5.697 -7.808 3.443 1.00 0.00 H new ATOM 0 HA LEU A 84 6.351 -8.710 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.061 -7.004 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.364 -7.362 0.048 1.00 0.00 H new ATOM 0 HG LEU A 84 3.827 -9.522 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.503 -9.532 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.921 -7.991 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.849 -8.094 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.230 -10.842 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.645 -9.455 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.909 -10.257 0.028 1.00 0.00 H new ATOM 1314 N GLU A 85 7.667 -6.685 0.221 1.00 0.00 N ATOM 1315 CA GLU A 85 8.460 -5.504 -0.099 1.00 0.00 C ATOM 1316 C GLU A 85 7.794 -4.683 -1.200 1.00 0.00 C ATOM 1317 O GLU A 85 7.431 -5.212 -2.251 1.00 0.00 O ATOM 1318 CB GLU A 85 9.869 -5.911 -0.533 1.00 0.00 C ATOM 1319 CG GLU A 85 10.688 -6.550 0.576 1.00 0.00 C ATOM 1320 CD GLU A 85 11.886 -7.315 0.051 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.954 -6.694 -0.133 1.00 0.00 O ATOM 1322 OE2 GLU A 85 11.757 -8.536 -0.176 1.00 0.00 O ATOM 0 H GLU A 85 7.924 -7.521 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 85 8.527 -4.889 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.796 -6.609 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.395 -5.030 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.029 -5.775 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.053 -7.226 1.148 1.00 0.00 H new ATOM 1329 N VAL A 86 7.636 -3.387 -0.950 1.00 0.00 N ATOM 1330 CA VAL A 86 7.014 -2.492 -1.919 1.00 0.00 C ATOM 1331 C VAL A 86 8.002 -1.438 -2.405 1.00 0.00 C ATOM 1332 O VAL A 86 8.655 -0.770 -1.605 1.00 0.00 O ATOM 1333 CB VAL A 86 5.781 -1.789 -1.322 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.239 -0.748 -2.290 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.708 -2.806 -0.965 1.00 0.00 C ATOM 0 H VAL A 86 7.930 -2.933 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 86 6.699 -3.107 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 86 6.083 -1.278 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.368 -0.262 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.008 -0.002 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.952 -1.233 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.844 -2.291 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.407 -3.347 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.103 -3.510 -0.232 1.00 0.00 H new ATOM 1345 N GLU A 87 8.104 -1.293 -3.723 1.00 0.00 N ATOM 1346 CA GLU A 87 9.013 -0.319 -4.316 1.00 0.00 C ATOM 1347 C GLU A 87 8.238 0.836 -4.944 1.00 0.00 C ATOM 1348 O GLU A 87 7.340 0.625 -5.759 1.00 0.00 O ATOM 1349 CB GLU A 87 9.896 -0.989 -5.371 1.00 0.00 C ATOM 1350 CG GLU A 87 11.135 -0.184 -5.727 1.00 0.00 C ATOM 1351 CD GLU A 87 11.800 -0.671 -7.000 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.077 -0.941 -7.982 1.00 0.00 O ATOM 1353 OE2 GLU A 87 13.044 -0.781 -7.014 1.00 0.00 O ATOM 0 H GLU A 87 7.569 -1.837 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 87 9.646 0.080 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.202 -1.970 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.308 -1.154 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.862 0.865 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.848 -0.239 -4.905 1.00 0.00 H new ATOM 1360 N PHE A 88 8.592 2.057 -4.557 1.00 0.00 N ATOM 1361 CA PHE A 88 7.929 3.246 -5.080 1.00 0.00 C ATOM 1362 C PHE A 88 8.900 4.421 -5.154 1.00 0.00 C ATOM 1363 O PHE A 88 9.369 4.917 -4.130 1.00 0.00 O ATOM 1364 CB PHE A 88 6.730 3.615 -4.205 1.00 0.00 C ATOM 1365 CG PHE A 88 6.466 5.092 -4.140 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.664 5.708 -5.087 1.00 0.00 C ATOM 1367 CD2 PHE A 88 7.021 5.865 -3.133 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.419 7.067 -5.031 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.779 7.224 -3.071 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.978 7.826 -4.022 1.00 0.00 C ATOM 0 H PHE A 88 9.334 2.249 -3.884 1.00 0.00 H new ATOM 0 HA PHE A 88 7.578 3.022 -6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.842 3.112 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.898 3.239 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.225 5.119 -5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.650 5.400 -2.388 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.791 7.535 -5.775 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.216 7.815 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.789 8.888 -3.976 1.00 0.00 H new ATOM 1380 N GLU A 89 9.196 4.861 -6.373 1.00 0.00 N ATOM 1381 CA GLU A 89 10.112 5.977 -6.580 1.00 0.00 C ATOM 1382 C GLU A 89 9.409 7.134 -7.285 1.00 0.00 C ATOM 1383 O GLU A 89 9.196 7.118 -8.497 1.00 0.00 O ATOM 1384 CB GLU A 89 11.323 5.526 -7.399 1.00 0.00 C ATOM 1385 CG GLU A 89 12.186 6.675 -7.893 1.00 0.00 C ATOM 1386 CD GLU A 89 13.033 6.296 -9.092 1.00 0.00 C ATOM 1387 OE1 GLU A 89 12.497 6.294 -10.220 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.232 6.002 -8.902 1.00 0.00 O ATOM 0 H GLU A 89 8.815 4.462 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 89 10.451 6.322 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.934 4.859 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.977 4.948 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.546 7.517 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.836 7.009 -7.085 1.00 0.00 H new ATOM 1395 N PRO A 90 9.040 8.163 -6.508 1.00 0.00 N ATOM 1396 CA PRO A 90 8.356 9.347 -7.035 1.00 0.00 C ATOM 1397 C PRO A 90 9.269 10.205 -7.904 1.00 0.00 C ATOM 1398 O PRO A 90 10.493 10.115 -7.811 1.00 0.00 O ATOM 1399 CB PRO A 90 7.947 10.111 -5.773 1.00 0.00 C ATOM 1400 CG PRO A 90 8.924 9.679 -4.735 1.00 0.00 C ATOM 1401 CD PRO A 90 9.262 8.249 -5.054 1.00 0.00 C ATOM 0 HA PRO A 90 7.518 9.081 -7.679 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.989 11.189 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.925 9.871 -5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.816 10.305 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.496 9.765 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.292 8.011 -4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.624 7.554 -4.508 1.00 0.00 H new ATOM 1409 N GLN A 91 8.665 11.035 -8.748 1.00 0.00 N ATOM 1410 CA GLN A 91 9.425 11.909 -9.634 1.00 0.00 C ATOM 1411 C GLN A 91 9.166 13.376 -9.307 1.00 0.00 C ATOM 1412 O GLN A 91 10.049 14.221 -9.457 1.00 0.00 O ATOM 1413 CB GLN A 91 9.065 11.628 -11.094 1.00 0.00 C ATOM 1414 CG GLN A 91 10.058 12.208 -12.089 1.00 0.00 C ATOM 1415 CD GLN A 91 11.145 11.222 -12.469 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.211 10.763 -13.610 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.006 10.892 -11.513 1.00 0.00 N ATOM 0 H GLN A 91 7.653 11.121 -8.837 1.00 0.00 H new ATOM 0 HA GLN A 91 10.485 11.704 -9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.002 10.550 -11.243 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.076 12.037 -11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.526 12.521 -12.987 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.515 13.101 -11.662 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.914 11.297 -10.581 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.760 10.234 -11.710 1.00 0.00 H new ATOM 1426 N SER A 92 7.950 13.671 -8.860 1.00 0.00 N ATOM 1427 CA SER A 92 7.573 15.037 -8.515 1.00 0.00 C ATOM 1428 C SER A 92 7.551 15.229 -7.001 1.00 0.00 C ATOM 1429 O SER A 92 6.791 14.571 -6.291 1.00 0.00 O ATOM 1430 CB SER A 92 6.201 15.373 -9.103 1.00 0.00 C ATOM 1431 OG SER A 92 6.266 15.492 -10.513 1.00 0.00 O ATOM 0 H SER A 92 7.209 12.983 -8.728 1.00 0.00 H new ATOM 0 HA SER A 92 8.317 15.711 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.486 14.596 -8.833 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.836 16.306 -8.673 1.00 0.00 H new ATOM 0 HG SER A 92 5.376 15.705 -10.865 1.00 0.00 H new ATOM 1437 N VAL A 93 8.393 16.135 -6.514 1.00 0.00 N ATOM 1438 CA VAL A 93 8.471 16.416 -5.086 1.00 0.00 C ATOM 1439 C VAL A 93 7.136 16.920 -4.551 1.00 0.00 C ATOM 1440 O VAL A 93 6.546 17.850 -5.101 1.00 0.00 O ATOM 1441 CB VAL A 93 9.562 17.459 -4.778 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.416 18.669 -5.688 1.00 0.00 C ATOM 1443 CG2 VAL A 93 9.505 17.872 -3.315 1.00 0.00 C ATOM 0 H VAL A 93 9.031 16.687 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 93 8.726 15.478 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 93 10.536 17.008 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.195 19.395 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.510 18.356 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.438 19.125 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.282 18.609 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.529 18.306 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.663 16.998 -2.684 1.00 0.00 H new ATOM 1453 N GLY A 94 6.664 16.300 -3.474 1.00 0.00 N ATOM 1454 CA GLY A 94 5.400 16.700 -2.881 1.00 0.00 C ATOM 1455 C GLY A 94 4.719 15.563 -2.146 1.00 0.00 C ATOM 1456 O GLY A 94 5.354 14.845 -1.374 1.00 0.00 O ATOM 0 H GLY A 94 7.134 15.528 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.572 17.525 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.737 17.072 -3.662 1.00 0.00 H new ATOM 1460 N ASP A 95 3.422 15.400 -2.385 1.00 0.00 N ATOM 1461 CA ASP A 95 2.654 14.342 -1.739 1.00 0.00 C ATOM 1462 C ASP A 95 1.951 13.471 -2.775 1.00 0.00 C ATOM 1463 O ASP A 95 1.179 13.965 -3.597 1.00 0.00 O ATOM 1464 CB ASP A 95 1.626 14.943 -0.779 1.00 0.00 C ATOM 1465 CG ASP A 95 0.362 14.110 -0.687 1.00 0.00 C ATOM 1466 OD1 ASP A 95 0.473 12.867 -0.666 1.00 0.00 O ATOM 1467 OD2 ASP A 95 -0.737 14.702 -0.638 1.00 0.00 O ATOM 0 H ASP A 95 2.881 15.986 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 95 3.346 13.717 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.070 15.035 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.371 15.950 -1.109 1.00 0.00 H new ATOM 1472 N HIS A 96 2.225 12.170 -2.731 1.00 0.00 N ATOM 1473 CA HIS A 96 1.619 11.229 -3.666 1.00 0.00 C ATOM 1474 C HIS A 96 0.549 10.389 -2.976 1.00 0.00 C ATOM 1475 O HIS A 96 0.629 10.129 -1.775 1.00 0.00 O ATOM 1476 CB HIS A 96 2.688 10.318 -4.270 1.00 0.00 C ATOM 1477 CG HIS A 96 3.714 11.052 -5.078 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.954 10.787 -6.409 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.564 12.049 -4.735 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.907 11.588 -6.851 1.00 0.00 C ATOM 1481 NE2 HIS A 96 5.294 12.364 -5.854 1.00 0.00 N ATOM 0 H HIS A 96 2.862 11.744 -2.058 1.00 0.00 H new ATOM 0 HA HIS A 96 1.147 11.802 -4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.189 9.777 -3.467 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.204 9.573 -4.902 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.651 12.510 -3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.302 11.606 -7.856 1.00 0.00 H new ATOM 0 HE2 HIS A 96 6.018 13.081 -5.907 1.00 0.00 H new ATOM 1490 N SER A 97 -0.452 9.969 -3.742 1.00 0.00 N ATOM 1491 CA SER A 97 -1.541 9.162 -3.203 1.00 0.00 C ATOM 1492 C SER A 97 -2.096 8.219 -4.266 1.00 0.00 C ATOM 1493 O SER A 97 -2.522 8.653 -5.336 1.00 0.00 O ATOM 1494 CB SER A 97 -2.657 10.064 -2.672 1.00 0.00 C ATOM 1495 OG SER A 97 -3.014 11.049 -3.626 1.00 0.00 O ATOM 0 H SER A 97 -0.532 10.174 -4.738 1.00 0.00 H new ATOM 0 HA SER A 97 -1.146 8.563 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.530 9.460 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.331 10.547 -1.751 1.00 0.00 H new ATOM 0 HG SER A 97 -2.944 10.672 -4.528 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.088 6.925 -3.962 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.592 5.939 -4.901 1.00 0.00 C ATOM 1503 C GLY A 98 -3.519 4.935 -4.245 1.00 0.00 C ATOM 1504 O GLY A 98 -4.315 5.291 -3.376 1.00 0.00 O ATOM 0 H GLY A 98 -1.742 6.542 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.123 6.447 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.753 5.412 -5.355 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.418 3.678 -4.662 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.256 2.620 -4.111 1.00 0.00 C ATOM 1510 C ARG A 99 -3.754 1.246 -4.546 1.00 0.00 C ATOM 1511 O ARG A 99 -3.145 1.103 -5.607 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.708 2.807 -4.555 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.413 1.505 -4.899 1.00 0.00 C ATOM 1514 CD ARG A 99 -7.722 1.756 -5.631 1.00 0.00 C ATOM 1515 NE ARG A 99 -7.525 1.906 -7.070 1.00 0.00 N ATOM 1516 CZ ARG A 99 -7.583 3.072 -7.703 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -7.830 4.185 -7.026 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -7.392 3.127 -9.015 1.00 0.00 N ATOM 0 H ARG A 99 -2.764 3.367 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.204 2.680 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.260 3.310 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.731 3.464 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.761 0.890 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.608 0.943 -3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.407 0.929 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.193 2.655 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.332 1.069 -7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.976 4.147 -6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.874 5.080 -7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.200 2.273 -9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.437 4.023 -9.500 1.00 0.00 H new ATOM 1532 N LEU A 100 -4.011 0.239 -3.719 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.585 -1.124 -4.016 1.00 0.00 C ATOM 1534 C LEU A 100 -4.754 -2.097 -3.903 1.00 0.00 C ATOM 1535 O LEU A 100 -5.297 -2.306 -2.818 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.461 -1.546 -3.068 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.038 -1.227 -3.530 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.042 -1.496 -2.412 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.685 -2.038 -4.768 1.00 0.00 C ATOM 0 H LEU A 100 -4.513 0.341 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.215 -1.148 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.625 -1.064 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.536 -2.621 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.988 -0.169 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.965 -1.264 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.283 -0.871 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.093 -2.546 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.331 -1.798 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.752 -3.101 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.380 -1.796 -5.572 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.134 -2.691 -5.030 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.236 -3.645 -5.056 1.00 0.00 C ATOM 1553 C ILE A 101 -5.723 -5.079 -4.992 1.00 0.00 C ATOM 1554 O ILE A 101 -4.828 -5.464 -5.745 1.00 0.00 O ATOM 1555 CB ILE A 101 -7.097 -3.475 -6.321 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.728 -2.081 -6.352 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.172 -4.550 -6.378 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.348 -1.728 -7.685 1.00 0.00 C ATOM 0 H ILE A 101 -4.695 -2.528 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.850 -3.442 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.456 -3.582 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.492 -2.020 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.966 -1.341 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.773 -4.417 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.702 -5.533 -6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.812 -4.471 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.776 -0.727 -7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.583 -1.756 -8.461 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.133 -2.446 -7.923 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.297 -5.868 -4.089 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.900 -7.262 -3.929 1.00 0.00 C ATOM 1572 C VAL A 102 -7.048 -8.203 -4.275 1.00 0.00 C ATOM 1573 O VAL A 102 -8.014 -8.325 -3.520 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.431 -7.550 -2.490 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.925 -8.979 -2.369 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.356 -6.558 -2.072 1.00 0.00 C ATOM 0 H VAL A 102 -7.038 -5.566 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.071 -7.436 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.282 -7.433 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.598 -9.164 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.727 -9.672 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.087 -9.127 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.036 -6.776 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.503 -6.641 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.758 -5.546 -2.118 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.936 -8.867 -5.420 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.965 -9.799 -5.867 1.00 0.00 C ATOM 1588 C CYS A 103 -7.762 -11.175 -5.242 1.00 0.00 C ATOM 1589 O CYS A 103 -6.701 -11.782 -5.385 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.953 -9.911 -7.393 1.00 0.00 C ATOM 1591 SG CYS A 103 -9.527 -10.442 -8.107 1.00 0.00 S ATOM 0 H CYS A 103 -6.143 -8.777 -6.056 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.933 -9.414 -5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.683 -8.943 -7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.176 -10.616 -7.689 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.417 -10.504 -9.401 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.786 -11.660 -4.548 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.718 -12.963 -3.897 1.00 0.00 C ATOM 1599 C TYR A 104 -9.360 -14.040 -4.766 1.00 0.00 C ATOM 1600 O TYR A 104 -10.218 -13.751 -5.600 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.410 -12.912 -2.534 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.668 -12.085 -1.509 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.588 -10.703 -1.627 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.047 -12.686 -0.420 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.911 -9.944 -0.693 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.368 -11.934 0.519 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.303 -10.564 0.378 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.628 -9.811 1.312 1.00 0.00 O ATOM 0 H TYR A 104 -9.672 -11.171 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.667 -13.215 -3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.413 -12.504 -2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.524 -13.928 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.064 -10.214 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.096 -13.759 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.858 -8.871 -0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.891 -12.417 1.359 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.037 -8.923 1.374 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.938 -15.284 -4.564 1.00 0.00 N ATOM 1619 CA ASP A 105 -9.472 -16.406 -5.327 1.00 0.00 C ATOM 1620 C ASP A 105 -10.985 -16.505 -5.161 1.00 0.00 C ATOM 1621 O ASP A 105 -11.693 -16.946 -6.067 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.811 -17.712 -4.883 1.00 0.00 C ATOM 1623 CG ASP A 105 -9.622 -18.932 -5.272 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -10.758 -19.073 -4.773 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -9.121 -19.747 -6.075 1.00 0.00 O ATOM 0 H ASP A 105 -8.228 -15.540 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.251 -16.236 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.818 -17.783 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.676 -17.698 -3.801 1.00 0.00 H new ATOM 1630 N THR A 106 -11.476 -16.092 -3.996 1.00 0.00 N ATOM 1631 CA THR A 106 -12.904 -16.136 -3.710 1.00 0.00 C ATOM 1632 C THR A 106 -13.649 -15.035 -4.456 1.00 0.00 C ATOM 1633 O THR A 106 -14.798 -15.211 -4.857 1.00 0.00 O ATOM 1634 CB THR A 106 -13.180 -15.995 -2.201 1.00 0.00 C ATOM 1635 OG1 THR A 106 -12.708 -14.726 -1.734 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.503 -17.112 -1.421 1.00 0.00 C ATOM 0 H THR A 106 -10.905 -15.723 -3.236 1.00 0.00 H new ATOM 0 HA THR A 106 -13.263 -17.108 -4.048 1.00 0.00 H new ATOM 0 HB THR A 106 -14.256 -16.063 -2.042 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.888 -14.643 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.712 -16.992 -0.358 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.885 -18.075 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 106 -11.426 -17.070 -1.586 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.985 -13.897 -4.640 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.600 -12.784 -5.338 1.00 0.00 C ATOM 1646 C GLY A 107 -13.506 -11.487 -4.559 1.00 0.00 C ATOM 1647 O GLY A 107 -13.637 -10.404 -5.127 1.00 0.00 O ATOM 0 H GLY A 107 -12.032 -13.727 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.119 -12.657 -6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.648 -13.014 -5.530 1.00 0.00 H new ATOM 1651 N GLU A 108 -13.281 -11.598 -3.253 1.00 0.00 N ATOM 1652 CA GLU A 108 -13.173 -10.425 -2.395 1.00 0.00 C ATOM 1653 C GLU A 108 -12.158 -9.432 -2.955 1.00 0.00 C ATOM 1654 O GLU A 108 -11.333 -9.780 -3.800 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.770 -10.837 -0.977 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.927 -11.362 -0.144 1.00 0.00 C ATOM 1657 CD GLU A 108 -15.180 -10.522 -0.292 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -15.906 -10.713 -1.291 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -15.435 -9.675 0.588 1.00 0.00 O ATOM 0 H GLU A 108 -13.170 -12.488 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.149 -9.941 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.998 -11.604 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.328 -9.979 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.145 -12.389 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.633 -11.387 0.905 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.226 -8.193 -2.479 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.315 -7.149 -2.931 1.00 0.00 C ATOM 1668 C LYS A 109 -10.995 -6.179 -1.797 1.00 0.00 C ATOM 1669 O LYS A 109 -11.882 -5.766 -1.051 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.923 -6.388 -4.111 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.900 -5.625 -4.935 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.517 -4.409 -5.604 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.240 -4.786 -6.888 1.00 0.00 C ATOM 1674 NZ LYS A 109 -11.312 -4.835 -8.053 1.00 0.00 N ATOM 0 H LYS A 109 -12.903 -7.888 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.388 -7.624 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.445 -7.094 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.669 -5.688 -3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.077 -5.310 -4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.478 -6.284 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.217 -3.931 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.738 -3.679 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.719 -5.757 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.032 -4.063 -7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.843 -5.095 -8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.874 -3.901 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.571 -5.543 -7.877 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.721 -5.818 -1.675 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.285 -4.894 -0.635 1.00 0.00 C ATOM 1690 C VAL A 110 -8.669 -3.637 -1.239 1.00 0.00 C ATOM 1691 O VAL A 110 -8.127 -3.668 -2.344 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.259 -5.554 0.306 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -6.860 -5.466 -0.283 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.309 -4.908 1.683 1.00 0.00 C ATOM 0 H VAL A 110 -8.973 -6.151 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.171 -4.621 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.515 -6.608 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.149 -5.937 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.837 -5.978 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.589 -4.419 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.578 -5.386 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.078 -3.846 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.306 -5.029 2.106 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.756 -2.532 -0.507 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.208 -1.263 -0.970 1.00 0.00 C ATOM 1706 C PHE A 111 -7.239 -0.682 0.056 1.00 0.00 C ATOM 1707 O PHE A 111 -7.551 -0.599 1.244 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.336 -0.265 -1.245 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.203 -0.648 -2.410 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -9.725 -0.556 -3.707 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.497 -1.101 -2.207 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.522 -0.907 -4.780 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.299 -1.453 -3.277 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.810 -1.357 -4.565 1.00 0.00 C ATOM 0 H PHE A 111 -9.201 -2.490 0.410 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.662 -1.448 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.957 -0.176 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.903 0.718 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.718 -0.206 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -11.883 -1.180 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.138 -0.829 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.306 -1.803 -3.106 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.433 -1.633 -5.402 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.062 -0.280 -0.412 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.046 0.294 0.463 1.00 0.00 C ATOM 1726 C VAL A 112 -4.428 1.542 -0.157 1.00 0.00 C ATOM 1727 O VAL A 112 -3.587 1.451 -1.051 1.00 0.00 O ATOM 1728 CB VAL A 112 -3.930 -0.722 0.769 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -2.902 -0.118 1.714 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.516 -1.999 1.351 1.00 0.00 C ATOM 0 H VAL A 112 -5.788 -0.341 -1.393 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.545 0.564 1.393 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.426 -0.974 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.121 -0.851 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.459 0.765 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.388 0.165 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.713 -2.705 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.047 -1.768 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.209 -2.440 0.635 1.00 0.00 H new ATOM 1740 N SER A 113 -4.850 2.706 0.325 1.00 0.00 N ATOM 1741 CA SER A 113 -4.340 3.974 -0.185 1.00 0.00 C ATOM 1742 C SER A 113 -2.822 4.044 -0.046 1.00 0.00 C ATOM 1743 O SER A 113 -2.264 3.682 0.991 1.00 0.00 O ATOM 1744 CB SER A 113 -4.986 5.144 0.560 1.00 0.00 C ATOM 1745 OG SER A 113 -4.072 6.215 0.718 1.00 0.00 O ATOM 0 H SER A 113 -5.543 2.798 1.068 1.00 0.00 H new ATOM 0 HA SER A 113 -4.594 4.041 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.863 5.488 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.332 4.810 1.538 1.00 0.00 H new ATOM 0 HG SER A 113 -4.509 6.950 1.196 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.160 4.512 -1.098 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.706 4.630 -1.095 1.00 0.00 C ATOM 1753 C LEU A 114 -0.276 6.062 -0.792 1.00 0.00 C ATOM 1754 O LEU A 114 -1.070 6.997 -0.907 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.136 4.190 -2.445 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.145 2.686 -2.719 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.345 2.397 -4.129 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.708 1.952 -1.694 1.00 0.00 C ATOM 0 H LEU A 114 -2.606 4.816 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.315 3.979 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.701 4.686 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.892 4.546 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.170 2.327 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.332 1.321 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.307 2.891 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.362 2.771 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.690 0.883 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.734 2.315 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.311 2.132 -0.695 1.00 0.00 H new ATOM 1770 N TYR A 115 0.984 6.227 -0.407 1.00 0.00 N ATOM 1771 CA TYR A 115 1.519 7.546 -0.087 1.00 0.00 C ATOM 1772 C TYR A 115 3.034 7.576 -0.264 1.00 0.00 C ATOM 1773 O TYR A 115 3.675 6.536 -0.409 1.00 0.00 O ATOM 1774 CB TYR A 115 1.154 7.933 1.347 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.016 8.887 1.437 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.172 10.260 1.337 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.309 8.415 1.622 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.893 11.135 1.420 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.381 9.282 1.704 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.168 10.641 1.603 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.233 11.510 1.684 1.00 0.00 O ATOM 0 H TYR A 115 1.654 5.465 -0.309 1.00 0.00 H new ATOM 0 HA TYR A 115 1.076 8.267 -0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.920 7.030 1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.022 8.389 1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.169 10.650 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.479 7.352 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.729 12.200 1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.380 8.898 1.846 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.061 11.002 1.812 1.00 0.00 H new ATOM 1791 N GLY A 116 3.601 8.779 -0.249 1.00 0.00 N ATOM 1792 CA GLY A 116 5.036 8.924 -0.408 1.00 0.00 C ATOM 1793 C GLY A 116 5.480 10.373 -0.370 1.00 0.00 C ATOM 1794 O GLY A 116 6.030 10.887 -1.344 1.00 0.00 O ATOM 0 H GLY A 116 3.092 9.655 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.544 8.371 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.340 8.479 -1.355 1.00 0.00 H new ATOM 1798 N ALA A 117 5.239 11.035 0.757 1.00 0.00 N ATOM 1799 CA ALA A 117 5.618 12.433 0.918 1.00 0.00 C ATOM 1800 C ALA A 117 7.086 12.648 0.566 1.00 0.00 C ATOM 1801 O ALA A 117 7.975 12.338 1.358 1.00 0.00 O ATOM 1802 CB ALA A 117 5.341 12.894 2.342 1.00 0.00 C ATOM 0 H ALA A 117 4.783 10.625 1.572 1.00 0.00 H new ATOM 0 HA ALA A 117 5.016 13.029 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.629 13.940 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.278 12.786 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.917 12.286 3.040 1.00 0.00 H new ATOM 1808 N ALA A 118 7.332 13.180 -0.626 1.00 0.00 N ATOM 1809 CA ALA A 118 8.692 13.438 -1.082 1.00 0.00 C ATOM 1810 C ALA A 118 9.144 14.842 -0.695 1.00 0.00 C ATOM 1811 O ALA A 118 8.340 15.663 -0.252 1.00 0.00 O ATOM 1812 CB ALA A 118 8.789 13.247 -2.589 1.00 0.00 C ATOM 0 H ALA A 118 6.607 13.441 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 118 9.354 12.724 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.810 13.443 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.517 12.223 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.110 13.938 -3.088 1.00 0.00 H new ATOM 1818 N ILE A 119 10.434 15.111 -0.865 1.00 0.00 N ATOM 1819 CA ILE A 119 10.992 16.416 -0.534 1.00 0.00 C ATOM 1820 C ILE A 119 12.144 16.774 -1.466 1.00 0.00 C ATOM 1821 O ILE A 119 12.977 15.929 -1.794 1.00 0.00 O ATOM 1822 CB ILE A 119 11.491 16.462 0.922 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.472 15.317 1.184 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.317 16.392 1.887 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.923 15.721 1.047 1.00 0.00 C ATOM 0 H ILE A 119 11.112 14.442 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 119 10.189 17.143 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 119 12.012 17.406 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.305 14.929 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.263 14.504 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.686 16.426 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.652 17.238 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.771 15.462 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.561 14.860 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.106 16.082 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.149 16.513 1.761 1.00 0.00 H new ATOM 1837 N ASP A 120 12.187 18.033 -1.888 1.00 0.00 N ATOM 1838 CA ASP A 120 13.239 18.505 -2.781 1.00 0.00 C ATOM 1839 C ASP A 120 14.608 18.384 -2.119 1.00 0.00 C ATOM 1840 O ASP A 120 14.812 18.858 -1.002 1.00 0.00 O ATOM 1841 CB ASP A 120 12.981 19.958 -3.185 1.00 0.00 C ATOM 1842 CG ASP A 120 13.706 20.945 -2.292 1.00 0.00 C ATOM 1843 OD1 ASP A 120 13.364 21.021 -1.093 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.614 21.642 -2.791 1.00 0.00 O ATOM 0 H ASP A 120 11.505 18.745 -1.626 1.00 0.00 H new ATOM 0 HA ASP A 120 13.230 17.881 -3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.297 20.107 -4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 120 11.910 20.158 -3.148 1.00 0.00 H new