USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 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 37 CYS SG : rot -72:sc= 0.735 USER MOD Set 1.2: A 43 THR OG1 : rot -156:sc= 0.856 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.288) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc=-0.00306 (180deg=-0.135) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.68 USER MOD Single : A 44 GLN :FLIP amide:sc= -1.42 F(o=-2.2!,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -4.12! C(o=-4.1!,f=-14!) USER MOD Single : A 54 ASN : amide:sc= -2.87! C(o=-2.9!,f=-6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.26) USER MOD Single : A 60 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-5.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0768 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -23:sc= 0.587 USER MOD Single : A 75 THR OG1 : rot 30:sc= 0.0855 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 81 SER OG : rot 180:sc=-0.00726 USER MOD Single : A 82 MET CE :methyl -148:sc= -0.128 (180deg=-0.239) USER MOD Single : A 83 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.2) USER MOD Single : A 91 GLN :FLIP amide:sc= -1.09 F(o=-1.9!,f=-1.1) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0.27 K(o=0.27,f=-5.1!) USER MOD Single : A 97 SER OG : rot -12:sc= 1.12 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 165:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -10.890 -17.468 2.978 1.00 0.00 N ATOM 342 CA ALA A 24 -9.576 -17.011 3.414 1.00 0.00 C ATOM 343 C ALA A 24 -9.589 -15.517 3.721 1.00 0.00 C ATOM 344 O ALA A 24 -10.245 -14.738 3.030 1.00 0.00 O ATOM 345 CB ALA A 24 -8.529 -17.326 2.356 1.00 0.00 C ATOM 0 HA ALA A 24 -9.320 -17.542 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.553 -16.979 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.493 -18.402 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.790 -16.822 1.425 1.00 0.00 H new ATOM 351 N ILE A 25 -8.860 -15.125 4.760 1.00 0.00 N ATOM 352 CA ILE A 25 -8.788 -13.724 5.157 1.00 0.00 C ATOM 353 C ILE A 25 -7.345 -13.298 5.408 1.00 0.00 C ATOM 354 O ILE A 25 -6.509 -14.105 5.815 1.00 0.00 O ATOM 355 CB ILE A 25 -9.618 -13.455 6.426 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.015 -14.063 6.286 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.710 -11.960 6.691 1.00 0.00 C ATOM 358 CD1 ILE A 25 -11.771 -13.569 5.072 1.00 0.00 C ATOM 0 H ILE A 25 -8.311 -15.757 5.342 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.199 -13.141 4.333 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.121 -13.925 7.274 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.926 -15.148 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.593 -13.835 7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.300 -11.786 7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.708 -11.553 6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.188 -11.469 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.752 -14.042 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.892 -12.487 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.214 -13.821 4.169 1.00 0.00 H new ATOM 370 N LEU A 26 -7.060 -12.024 5.163 1.00 0.00 N ATOM 371 CA LEU A 26 -5.718 -11.488 5.363 1.00 0.00 C ATOM 372 C LEU A 26 -5.756 -10.236 6.234 1.00 0.00 C ATOM 373 O LEU A 26 -6.829 -9.726 6.559 1.00 0.00 O ATOM 374 CB LEU A 26 -5.070 -11.165 4.016 1.00 0.00 C ATOM 375 CG LEU A 26 -4.451 -12.347 3.269 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.350 -12.987 4.100 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.519 -13.373 2.915 1.00 0.00 C ATOM 0 H LEU A 26 -7.740 -11.343 4.826 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.124 -12.246 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.823 -10.709 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.294 -10.417 4.179 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.010 -11.976 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.922 -13.826 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.572 -12.251 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.766 -13.344 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.060 -14.207 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.989 -13.739 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.273 -12.909 2.279 1.00 0.00 H new ATOM 389 N ASP A 27 -4.579 -9.746 6.608 1.00 0.00 N ATOM 390 CA ASP A 27 -4.478 -8.551 7.438 1.00 0.00 C ATOM 391 C ASP A 27 -3.710 -7.450 6.715 1.00 0.00 C ATOM 392 O ASP A 27 -2.489 -7.519 6.573 1.00 0.00 O ATOM 393 CB ASP A 27 -3.790 -8.883 8.764 1.00 0.00 C ATOM 394 CG ASP A 27 -3.602 -7.661 9.641 1.00 0.00 C ATOM 395 OD1 ASP A 27 -4.616 -7.116 10.125 1.00 0.00 O ATOM 396 OD2 ASP A 27 -2.441 -7.250 9.843 1.00 0.00 O ATOM 0 H ASP A 27 -3.682 -10.158 6.350 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.487 -8.192 7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.382 -9.624 9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.819 -9.335 8.563 1.00 0.00 H new ATOM 401 N PHE A 28 -4.434 -6.434 6.257 1.00 0.00 N ATOM 402 CA PHE A 28 -3.821 -5.318 5.546 1.00 0.00 C ATOM 403 C PHE A 28 -4.230 -3.986 6.168 1.00 0.00 C ATOM 404 O PHE A 28 -5.386 -3.771 6.533 1.00 0.00 O ATOM 405 CB PHE A 28 -4.220 -5.346 4.069 1.00 0.00 C ATOM 406 CG PHE A 28 -3.455 -6.355 3.261 1.00 0.00 C ATOM 407 CD1 PHE A 28 -2.260 -6.012 2.651 1.00 0.00 C ATOM 408 CD2 PHE A 28 -3.932 -7.648 3.111 1.00 0.00 C ATOM 409 CE1 PHE A 28 -1.553 -6.938 1.907 1.00 0.00 C ATOM 410 CE2 PHE A 28 -3.230 -8.578 2.369 1.00 0.00 C ATOM 411 CZ PHE A 28 -2.040 -8.223 1.765 1.00 0.00 C ATOM 0 H PHE A 28 -5.446 -6.360 6.365 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.739 -5.420 5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.285 -5.563 3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.065 -4.356 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.876 -5.008 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.863 -7.931 3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.622 -6.657 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.612 -9.583 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.491 -8.948 1.183 1.00 0.00 H new ATOM 421 N PRO A 29 -3.258 -3.070 6.294 1.00 0.00 N ATOM 422 CA PRO A 29 -3.491 -1.743 6.873 1.00 0.00 C ATOM 423 C PRO A 29 -4.344 -0.858 5.969 1.00 0.00 C ATOM 424 O PRO A 29 -4.332 -1.009 4.747 1.00 0.00 O ATOM 425 CB PRO A 29 -2.081 -1.164 7.012 1.00 0.00 C ATOM 426 CG PRO A 29 -1.276 -1.875 5.979 1.00 0.00 C ATOM 427 CD PRO A 29 -1.857 -3.258 5.880 1.00 0.00 C ATOM 0 HA PRO A 29 -4.038 -1.799 7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.077 -0.087 6.845 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.680 -1.333 8.012 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.330 -1.360 5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.224 -1.913 6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.787 -3.652 4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.336 -3.960 6.531 1.00 0.00 H new ATOM 435 N ASP A 30 -5.081 0.064 6.578 1.00 0.00 N ATOM 436 CA ASP A 30 -5.938 0.975 5.828 1.00 0.00 C ATOM 437 C ASP A 30 -5.171 1.622 4.679 1.00 0.00 C ATOM 438 O ASP A 30 -5.673 1.719 3.559 1.00 0.00 O ATOM 439 CB ASP A 30 -6.504 2.054 6.752 1.00 0.00 C ATOM 440 CG ASP A 30 -7.768 1.607 7.459 1.00 0.00 C ATOM 441 OD1 ASP A 30 -7.746 0.530 8.089 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.781 2.334 7.380 1.00 0.00 O ATOM 0 H ASP A 30 -5.102 0.200 7.589 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.762 0.397 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.752 2.323 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.715 2.952 6.171 1.00 0.00 H new ATOM 447 N LYS A 31 -3.951 2.065 4.965 1.00 0.00 N ATOM 448 CA LYS A 31 -3.113 2.703 3.957 1.00 0.00 C ATOM 449 C LYS A 31 -1.638 2.597 4.330 1.00 0.00 C ATOM 450 O LYS A 31 -1.296 2.279 5.470 1.00 0.00 O ATOM 451 CB LYS A 31 -3.504 4.174 3.795 1.00 0.00 C ATOM 452 CG LYS A 31 -3.081 5.048 4.963 1.00 0.00 C ATOM 453 CD LYS A 31 -3.284 6.523 4.658 1.00 0.00 C ATOM 454 CE LYS A 31 -4.740 6.930 4.822 1.00 0.00 C ATOM 455 NZ LYS A 31 -4.891 8.405 4.961 1.00 0.00 N ATOM 0 H LYS A 31 -3.521 1.994 5.887 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.269 2.185 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.055 4.562 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.585 4.243 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.655 4.776 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.032 4.864 5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.661 7.122 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.959 6.733 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.313 6.586 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.158 6.438 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.817 8.621 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.136 8.775 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.826 8.851 4.024 1.00 0.00 H new ATOM 469 N LEU A 32 -0.767 2.866 3.363 1.00 0.00 N ATOM 470 CA LEU A 32 0.672 2.803 3.590 1.00 0.00 C ATOM 471 C LEU A 32 1.257 4.200 3.772 1.00 0.00 C ATOM 472 O LEU A 32 1.352 4.972 2.820 1.00 0.00 O ATOM 473 CB LEU A 32 1.362 2.097 2.421 1.00 0.00 C ATOM 474 CG LEU A 32 2.623 1.304 2.766 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.664 2.208 3.409 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.286 0.139 3.685 1.00 0.00 C ATOM 0 H LEU A 32 -1.033 3.130 2.414 1.00 0.00 H new ATOM 0 HA LEU A 32 0.846 2.235 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.645 1.418 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.621 2.846 1.672 1.00 0.00 H new ATOM 0 HG LEU A 32 3.040 0.904 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.554 1.626 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.928 3.008 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.257 2.639 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.195 -0.414 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.844 0.518 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.577 -0.523 3.188 1.00 0.00 H new ATOM 488 N ASN A 33 1.650 4.515 5.002 1.00 0.00 N ATOM 489 CA ASN A 33 2.228 5.819 5.309 1.00 0.00 C ATOM 490 C ASN A 33 3.733 5.819 5.062 1.00 0.00 C ATOM 491 O ASN A 33 4.497 5.216 5.817 1.00 0.00 O ATOM 492 CB ASN A 33 1.938 6.199 6.762 1.00 0.00 C ATOM 493 CG ASN A 33 2.184 7.670 7.035 1.00 0.00 C ATOM 494 OD1 ASN A 33 3.329 8.115 7.113 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.107 8.433 7.183 1.00 0.00 N ATOM 0 H ASN A 33 1.579 3.886 5.802 1.00 0.00 H new ATOM 0 HA ASN A 33 1.770 6.556 4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.902 5.957 6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.564 5.600 7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.210 9.430 7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.177 8.021 7.110 1.00 0.00 H new ATOM 502 N PHE A 34 4.153 6.499 4.000 1.00 0.00 N ATOM 503 CA PHE A 34 5.568 6.577 3.653 1.00 0.00 C ATOM 504 C PHE A 34 6.186 7.870 4.177 1.00 0.00 C ATOM 505 O PHE A 34 5.891 8.957 3.681 1.00 0.00 O ATOM 506 CB PHE A 34 5.748 6.490 2.136 1.00 0.00 C ATOM 507 CG PHE A 34 5.835 5.082 1.622 1.00 0.00 C ATOM 508 CD1 PHE A 34 4.691 4.393 1.251 1.00 0.00 C ATOM 509 CD2 PHE A 34 7.061 4.446 1.511 1.00 0.00 C ATOM 510 CE1 PHE A 34 4.768 3.097 0.777 1.00 0.00 C ATOM 511 CE2 PHE A 34 7.144 3.150 1.038 1.00 0.00 C ATOM 512 CZ PHE A 34 5.997 2.474 0.672 1.00 0.00 C ATOM 0 H PHE A 34 3.534 7.004 3.365 1.00 0.00 H new ATOM 0 HA PHE A 34 6.079 5.736 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.913 6.995 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.653 7.028 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.728 4.875 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.962 4.969 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.869 2.572 0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.106 2.666 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.060 1.460 0.304 1.00 0.00 H new ATOM 522 N SER A 35 7.044 7.743 5.184 1.00 0.00 N ATOM 523 CA SER A 35 7.701 8.901 5.779 1.00 0.00 C ATOM 524 C SER A 35 8.386 9.746 4.709 1.00 0.00 C ATOM 525 O SER A 35 8.438 9.366 3.539 1.00 0.00 O ATOM 526 CB SER A 35 8.725 8.452 6.823 1.00 0.00 C ATOM 527 OG SER A 35 9.669 7.557 6.260 1.00 0.00 O ATOM 0 H SER A 35 7.300 6.850 5.605 1.00 0.00 H new ATOM 0 HA SER A 35 6.939 9.510 6.266 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.241 9.322 7.228 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.213 7.969 7.655 1.00 0.00 H new ATOM 0 HG SER A 35 10.313 7.286 6.947 1.00 0.00 H new ATOM 533 N THR A 36 8.910 10.897 5.119 1.00 0.00 N ATOM 534 CA THR A 36 9.590 11.798 4.198 1.00 0.00 C ATOM 535 C THR A 36 10.702 11.077 3.444 1.00 0.00 C ATOM 536 O THR A 36 11.713 10.689 4.031 1.00 0.00 O ATOM 537 CB THR A 36 10.189 13.010 4.937 1.00 0.00 C ATOM 538 OG1 THR A 36 9.217 13.572 5.825 1.00 0.00 O ATOM 539 CG2 THR A 36 10.655 14.070 3.950 1.00 0.00 C ATOM 0 H THR A 36 8.876 11.227 6.084 1.00 0.00 H new ATOM 0 HA THR A 36 8.841 12.148 3.488 1.00 0.00 H new ATOM 0 HB THR A 36 11.050 12.668 5.511 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.606 14.341 6.292 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.074 14.916 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.417 13.647 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.809 14.407 3.352 1.00 0.00 H new ATOM 547 N CYS A 37 10.509 10.901 2.141 1.00 0.00 N ATOM 548 CA CYS A 37 11.496 10.226 1.307 1.00 0.00 C ATOM 549 C CYS A 37 11.858 11.079 0.095 1.00 0.00 C ATOM 550 O CYS A 37 11.105 11.959 -0.323 1.00 0.00 O ATOM 551 CB CYS A 37 10.963 8.867 0.849 1.00 0.00 C ATOM 552 SG CYS A 37 9.270 8.913 0.217 1.00 0.00 S ATOM 0 H CYS A 37 9.678 11.216 1.640 1.00 0.00 H new ATOM 0 HA CYS A 37 12.396 10.073 1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.619 8.475 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.008 8.170 1.686 1.00 0.00 H new ATOM 0 HG CYS A 37 8.443 9.087 1.205 1.00 0.00 H new ATOM 558 N PRO A 38 13.039 10.814 -0.484 1.00 0.00 N ATOM 559 CA PRO A 38 13.528 11.547 -1.655 1.00 0.00 C ATOM 560 C PRO A 38 12.729 11.228 -2.914 1.00 0.00 C ATOM 561 O PRO A 38 12.419 10.069 -3.188 1.00 0.00 O ATOM 562 CB PRO A 38 14.972 11.060 -1.801 1.00 0.00 C ATOM 563 CG PRO A 38 14.983 9.713 -1.164 1.00 0.00 C ATOM 564 CD PRO A 38 13.986 9.778 -0.040 1.00 0.00 C ATOM 0 HA PRO A 38 13.438 12.626 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.267 11.005 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.670 11.737 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.711 8.939 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.977 9.466 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.490 8.819 0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.461 10.046 0.904 1.00 0.00 H new ATOM 572 N VAL A 39 12.398 12.265 -3.678 1.00 0.00 N ATOM 573 CA VAL A 39 11.636 12.095 -4.909 1.00 0.00 C ATOM 574 C VAL A 39 12.407 11.254 -5.921 1.00 0.00 C ATOM 575 O VAL A 39 11.975 10.165 -6.298 1.00 0.00 O ATOM 576 CB VAL A 39 11.288 13.453 -5.546 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.492 14.382 -5.515 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.788 13.261 -6.970 1.00 0.00 C ATOM 0 H VAL A 39 12.646 13.231 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 39 10.713 11.581 -4.641 1.00 0.00 H new ATOM 0 HB VAL A 39 10.490 13.914 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.227 15.337 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.799 14.545 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.314 13.931 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.547 14.231 -7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.563 12.779 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.895 12.635 -6.961 1.00 0.00 H new ATOM 588 N LYS A 40 13.552 11.768 -6.359 1.00 0.00 N ATOM 589 CA LYS A 40 14.386 11.065 -7.326 1.00 0.00 C ATOM 590 C LYS A 40 14.696 9.650 -6.851 1.00 0.00 C ATOM 591 O LYS A 40 14.302 8.671 -7.485 1.00 0.00 O ATOM 592 CB LYS A 40 15.689 11.833 -7.560 1.00 0.00 C ATOM 593 CG LYS A 40 15.623 12.803 -8.726 1.00 0.00 C ATOM 594 CD LYS A 40 14.666 13.950 -8.445 1.00 0.00 C ATOM 595 CE LYS A 40 15.250 14.929 -7.439 1.00 0.00 C ATOM 596 NZ LYS A 40 16.363 15.727 -8.024 1.00 0.00 N ATOM 0 H LYS A 40 13.923 12.669 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 40 13.835 11.001 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.944 12.384 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.494 11.120 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.618 13.199 -8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.304 12.273 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.440 14.473 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.724 13.555 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.466 15.601 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.613 14.382 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.576 16.533 -7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.208 15.128 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.083 16.077 -8.962 1.00 0.00 H new ATOM 610 N TYR A 41 15.403 9.548 -5.730 1.00 0.00 N ATOM 611 CA TYR A 41 15.766 8.252 -5.171 1.00 0.00 C ATOM 612 C TYR A 41 14.538 7.358 -5.024 1.00 0.00 C ATOM 613 O TYR A 41 13.403 7.819 -5.148 1.00 0.00 O ATOM 614 CB TYR A 41 16.445 8.432 -3.812 1.00 0.00 C ATOM 615 CG TYR A 41 17.935 8.669 -3.906 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.791 7.668 -4.349 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.488 9.894 -3.551 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.153 7.880 -4.436 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.848 10.115 -3.637 1.00 0.00 C ATOM 620 CZ TYR A 41 20.677 9.105 -4.080 1.00 0.00 C ATOM 621 OH TYR A 41 22.034 9.321 -4.165 1.00 0.00 O ATOM 0 H TYR A 41 15.736 10.348 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 41 16.463 7.771 -5.858 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.984 9.273 -3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.264 7.545 -3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.384 6.708 -4.630 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.843 10.686 -3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.804 7.091 -4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.261 11.073 -3.359 1.00 0.00 H new ATOM 0 HH TYR A 41 22.238 10.236 -3.878 1.00 0.00 H new ATOM 631 N SER A 42 14.775 6.078 -4.758 1.00 0.00 N ATOM 632 CA SER A 42 13.690 5.117 -4.598 1.00 0.00 C ATOM 633 C SER A 42 13.365 4.907 -3.122 1.00 0.00 C ATOM 634 O SER A 42 14.206 5.128 -2.250 1.00 0.00 O ATOM 635 CB SER A 42 14.062 3.782 -5.245 1.00 0.00 C ATOM 636 OG SER A 42 14.138 3.902 -6.655 1.00 0.00 O ATOM 0 H SER A 42 15.709 5.682 -4.649 1.00 0.00 H new ATOM 0 HA SER A 42 12.806 5.518 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.020 3.439 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.321 3.027 -4.981 1.00 0.00 H new ATOM 0 HG SER A 42 14.379 3.036 -7.045 1.00 0.00 H new ATOM 642 N THR A 43 12.137 4.477 -2.848 1.00 0.00 N ATOM 643 CA THR A 43 11.698 4.237 -1.479 1.00 0.00 C ATOM 644 C THR A 43 11.414 2.758 -1.244 1.00 0.00 C ATOM 645 O THR A 43 10.932 2.061 -2.136 1.00 0.00 O ATOM 646 CB THR A 43 10.435 5.051 -1.143 1.00 0.00 C ATOM 647 OG1 THR A 43 10.690 6.449 -1.323 1.00 0.00 O ATOM 648 CG2 THR A 43 9.989 4.792 0.288 1.00 0.00 C ATOM 0 H THR A 43 11.429 4.288 -3.557 1.00 0.00 H new ATOM 0 HA THR A 43 12.510 4.556 -0.826 1.00 0.00 H new ATOM 0 HB THR A 43 9.638 4.738 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.069 6.969 -0.771 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.095 5.378 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.767 3.732 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.785 5.080 0.975 1.00 0.00 H new ATOM 656 N GLN A 44 11.714 2.287 -0.038 1.00 0.00 N ATOM 657 CA GLN A 44 11.489 0.890 0.313 1.00 0.00 C ATOM 658 C GLN A 44 10.638 0.775 1.574 1.00 0.00 C ATOM 659 O GLN A 44 10.648 1.664 2.426 1.00 0.00 O ATOM 660 CB GLN A 44 12.825 0.173 0.519 1.00 0.00 C ATOM 661 CG GLN A 44 13.447 -0.336 -0.771 1.00 0.00 C ATOM 662 CD GLN A 44 14.237 0.734 -1.499 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.564 1.475 -2.373 1.00 0.00 O flip ATOM 664 NE2 GLN A 44 15.438 0.894 -1.279 1.00 0.00 N flip ATOM 0 H GLN A 44 12.113 2.852 0.712 1.00 0.00 H new ATOM 0 HA GLN A 44 10.953 0.417 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.523 0.855 1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.676 -0.667 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.103 -1.177 -0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.661 -0.711 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.915 0.302 -0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.956 1.619 -1.777 1.00 0.00 H new ATOM 673 N LYS A 45 9.900 -0.325 1.685 1.00 0.00 N ATOM 674 CA LYS A 45 9.043 -0.557 2.842 1.00 0.00 C ATOM 675 C LYS A 45 8.560 -2.004 2.878 1.00 0.00 C ATOM 676 O LYS A 45 8.478 -2.667 1.844 1.00 0.00 O ATOM 677 CB LYS A 45 7.843 0.392 2.811 1.00 0.00 C ATOM 678 CG LYS A 45 7.266 0.687 4.185 1.00 0.00 C ATOM 679 CD LYS A 45 7.819 1.982 4.755 1.00 0.00 C ATOM 680 CE LYS A 45 6.844 2.623 5.731 1.00 0.00 C ATOM 681 NZ LYS A 45 7.071 2.160 7.128 1.00 0.00 N ATOM 0 H LYS A 45 9.878 -1.069 0.988 1.00 0.00 H new ATOM 0 HA LYS A 45 9.627 -0.364 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.144 1.330 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.064 -0.041 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.180 0.752 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.495 -0.137 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.764 1.784 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.032 2.677 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.946 3.707 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.823 2.387 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.387 2.620 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.948 1.128 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.037 2.408 7.423 1.00 0.00 H new ATOM 695 N ILE A 46 8.240 -2.485 4.075 1.00 0.00 N ATOM 696 CA ILE A 46 7.763 -3.852 4.245 1.00 0.00 C ATOM 697 C ILE A 46 6.419 -3.879 4.965 1.00 0.00 C ATOM 698 O ILE A 46 6.113 -2.994 5.765 1.00 0.00 O ATOM 699 CB ILE A 46 8.772 -4.707 5.033 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.106 -4.779 4.286 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.215 -6.103 5.268 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.167 -5.571 5.018 1.00 0.00 C ATOM 0 H ILE A 46 8.302 -1.949 4.940 1.00 0.00 H new ATOM 0 HA ILE A 46 7.646 -4.272 3.246 1.00 0.00 H new ATOM 0 HB ILE A 46 8.944 -4.238 6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.941 -5.227 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.473 -3.767 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.940 -6.695 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.288 -6.034 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.017 -6.582 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.085 -5.580 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.361 -5.111 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.821 -6.594 5.165 1.00 0.00 H new ATOM 714 N LEU A 47 5.621 -4.902 4.678 1.00 0.00 N ATOM 715 CA LEU A 47 4.309 -5.046 5.299 1.00 0.00 C ATOM 716 C LEU A 47 4.065 -6.491 5.725 1.00 0.00 C ATOM 717 O LEU A 47 3.897 -7.377 4.886 1.00 0.00 O ATOM 718 CB LEU A 47 3.212 -4.595 4.333 1.00 0.00 C ATOM 719 CG LEU A 47 1.828 -5.203 4.559 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.201 -4.648 5.828 1.00 0.00 C ATOM 721 CD2 LEU A 47 0.929 -4.941 3.359 1.00 0.00 C ATOM 0 H LEU A 47 5.860 -5.644 4.020 1.00 0.00 H new ATOM 0 HA LEU A 47 4.283 -4.415 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.125 -3.510 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.530 -4.832 3.318 1.00 0.00 H new ATOM 0 HG LEU A 47 1.940 -6.281 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.216 -5.093 5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.835 -4.887 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.101 -3.566 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.052 -5.381 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.824 -3.866 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.371 -5.388 2.469 1.00 0.00 H new ATOM 733 N LEU A 48 4.044 -6.721 7.033 1.00 0.00 N ATOM 734 CA LEU A 48 3.818 -8.058 7.571 1.00 0.00 C ATOM 735 C LEU A 48 2.350 -8.453 7.447 1.00 0.00 C ATOM 736 O LEU A 48 1.467 -7.778 7.977 1.00 0.00 O ATOM 737 CB LEU A 48 4.252 -8.120 9.037 1.00 0.00 C ATOM 738 CG LEU A 48 4.769 -9.473 9.527 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.653 -10.506 9.517 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.938 -9.939 8.672 1.00 0.00 C ATOM 0 H LEU A 48 4.181 -5.999 7.741 1.00 0.00 H new ATOM 0 HA LEU A 48 4.416 -8.762 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.033 -7.376 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.405 -7.831 9.659 1.00 0.00 H new ATOM 0 HG LEU A 48 5.119 -9.357 10.553 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.039 -11.463 9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.847 -10.177 10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.272 -10.620 8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.293 -10.903 9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.614 -10.038 7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.746 -9.209 8.731 1.00 0.00 H new ATOM 752 N VAL A 49 2.096 -9.553 6.745 1.00 0.00 N ATOM 753 CA VAL A 49 0.735 -10.041 6.554 1.00 0.00 C ATOM 754 C VAL A 49 0.498 -11.328 7.337 1.00 0.00 C ATOM 755 O VAL A 49 1.263 -12.286 7.224 1.00 0.00 O ATOM 756 CB VAL A 49 0.434 -10.296 5.066 1.00 0.00 C ATOM 757 CG1 VAL A 49 -1.035 -10.638 4.869 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.826 -9.088 4.229 1.00 0.00 C ATOM 0 H VAL A 49 2.815 -10.123 6.299 1.00 0.00 H new ATOM 0 HA VAL A 49 0.065 -9.265 6.925 1.00 0.00 H new ATOM 0 HB VAL A 49 1.028 -11.148 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.229 -10.815 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.279 -11.535 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.651 -9.809 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.606 -9.286 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.261 -8.217 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.892 -8.895 4.346 1.00 0.00 H new ATOM 768 N ARG A 50 -0.568 -11.343 8.131 1.00 0.00 N ATOM 769 CA ARG A 50 -0.906 -12.512 8.934 1.00 0.00 C ATOM 770 C ARG A 50 -2.234 -13.114 8.485 1.00 0.00 C ATOM 771 O ARG A 50 -3.242 -12.416 8.387 1.00 0.00 O ATOM 772 CB ARG A 50 -0.980 -12.136 10.415 1.00 0.00 C ATOM 773 CG ARG A 50 -1.221 -13.322 11.334 1.00 0.00 C ATOM 774 CD ARG A 50 -1.930 -12.903 12.612 1.00 0.00 C ATOM 775 NE ARG A 50 -1.596 -13.775 13.735 1.00 0.00 N ATOM 776 CZ ARG A 50 -1.955 -15.052 13.805 1.00 0.00 C ATOM 777 NH1 ARG A 50 -2.654 -15.603 12.823 1.00 0.00 N ATOM 778 NH2 ARG A 50 -1.613 -15.781 14.860 1.00 0.00 N ATOM 0 H ARG A 50 -1.212 -10.559 8.235 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.123 -13.257 8.794 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.050 -11.647 10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.780 -11.409 10.557 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.819 -14.071 10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.269 -13.791 11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.658 -11.876 12.857 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.008 -12.918 12.450 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.058 -13.382 14.507 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.918 -15.046 12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.928 -16.584 12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.074 -15.361 15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.889 -16.762 14.913 1.00 0.00 H new ATOM 792 N ASN A 51 -2.225 -14.415 8.211 1.00 0.00 N ATOM 793 CA ASN A 51 -3.429 -15.111 7.771 1.00 0.00 C ATOM 794 C ASN A 51 -4.419 -15.266 8.921 1.00 0.00 C ATOM 795 O ASN A 51 -4.257 -16.132 9.781 1.00 0.00 O ATOM 796 CB ASN A 51 -3.069 -16.486 7.204 1.00 0.00 C ATOM 797 CG ASN A 51 -4.283 -17.237 6.695 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.404 -17.008 7.149 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.065 -18.141 5.746 1.00 0.00 N ATOM 0 H ASN A 51 -1.398 -15.008 8.286 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.899 -14.514 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.353 -16.365 6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.577 -17.077 7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.844 -18.678 5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.119 -18.298 5.399 1.00 0.00 H new ATOM 806 N ILE A 52 -5.445 -14.422 8.928 1.00 0.00 N ATOM 807 CA ILE A 52 -6.463 -14.466 9.971 1.00 0.00 C ATOM 808 C ILE A 52 -7.686 -15.253 9.513 1.00 0.00 C ATOM 809 O ILE A 52 -8.753 -15.171 10.119 1.00 0.00 O ATOM 810 CB ILE A 52 -6.904 -13.050 10.388 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.406 -12.270 9.171 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.754 -12.313 11.058 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.026 -10.936 9.523 1.00 0.00 C ATOM 0 H ILE A 52 -5.594 -13.700 8.223 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.013 -14.965 10.829 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.721 -13.136 11.104 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.574 -12.106 8.486 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.141 -12.875 8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.081 -11.314 11.347 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.438 -12.862 11.945 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.918 -12.234 10.363 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.359 -10.438 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.879 -11.094 10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.287 -10.313 10.027 1.00 0.00 H new ATOM 825 N GLY A 53 -7.521 -16.018 8.438 1.00 0.00 N ATOM 826 CA GLY A 53 -8.620 -16.811 7.917 1.00 0.00 C ATOM 827 C GLY A 53 -8.615 -18.229 8.451 1.00 0.00 C ATOM 828 O GLY A 53 -7.856 -18.554 9.363 1.00 0.00 O ATOM 0 H GLY A 53 -6.647 -16.103 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.564 -16.332 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.562 -16.836 6.829 1.00 0.00 H new ATOM 832 N ASN A 54 -9.468 -19.077 7.884 1.00 0.00 N ATOM 833 CA ASN A 54 -9.561 -20.468 8.311 1.00 0.00 C ATOM 834 C ASN A 54 -8.739 -21.373 7.398 1.00 0.00 C ATOM 835 O ASN A 54 -7.982 -22.224 7.867 1.00 0.00 O ATOM 836 CB ASN A 54 -11.021 -20.924 8.319 1.00 0.00 C ATOM 837 CG ASN A 54 -11.459 -21.486 6.980 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.061 -22.586 6.596 1.00 0.00 O ATOM 839 ND2 ASN A 54 -12.282 -20.731 6.262 1.00 0.00 N ATOM 0 H ASN A 54 -10.104 -18.825 7.128 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.159 -20.540 9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.158 -21.682 9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.660 -20.082 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.610 -21.056 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.586 -19.826 6.620 1.00 0.00 H new ATOM 846 N LYS A 55 -8.893 -21.184 6.092 1.00 0.00 N ATOM 847 CA LYS A 55 -8.164 -21.981 5.112 1.00 0.00 C ATOM 848 C LYS A 55 -7.107 -21.140 4.405 1.00 0.00 C ATOM 849 O LYS A 55 -7.045 -19.924 4.585 1.00 0.00 O ATOM 850 CB LYS A 55 -9.132 -22.572 4.084 1.00 0.00 C ATOM 851 CG LYS A 55 -8.669 -23.898 3.505 1.00 0.00 C ATOM 852 CD LYS A 55 -9.800 -24.621 2.793 1.00 0.00 C ATOM 853 CE LYS A 55 -10.084 -24.006 1.431 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.756 -24.970 0.516 1.00 0.00 N ATOM 0 H LYS A 55 -9.516 -20.485 5.687 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.664 -22.793 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.107 -22.710 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.267 -21.858 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.850 -23.725 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.279 -24.529 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.542 -25.673 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.701 -24.583 3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.713 -23.124 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.149 -23.671 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.932 -24.513 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.145 -25.800 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.660 -25.271 0.932 1.00 0.00 H new ATOM 868 N ASN A 56 -6.277 -21.795 3.599 1.00 0.00 N ATOM 869 CA ASN A 56 -5.223 -21.107 2.864 1.00 0.00 C ATOM 870 C ASN A 56 -5.788 -19.926 2.080 1.00 0.00 C ATOM 871 O ASN A 56 -6.829 -20.038 1.434 1.00 0.00 O ATOM 872 CB ASN A 56 -4.520 -22.076 1.911 1.00 0.00 C ATOM 873 CG ASN A 56 -5.227 -22.187 0.574 1.00 0.00 C ATOM 874 OD1 ASN A 56 -6.214 -22.911 0.439 1.00 0.00 O ATOM 875 ND2 ASN A 56 -4.724 -21.469 -0.423 1.00 0.00 N ATOM 0 H ASN A 56 -6.315 -22.802 3.439 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.499 -20.729 3.586 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.495 -21.743 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.466 -23.062 2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.157 -21.504 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.904 -20.882 -0.266 1.00 0.00 H new ATOM 882 N ALA A 57 -5.093 -18.795 2.142 1.00 0.00 N ATOM 883 CA ALA A 57 -5.523 -17.594 1.437 1.00 0.00 C ATOM 884 C ALA A 57 -4.633 -17.318 0.230 1.00 0.00 C ATOM 885 O ALA A 57 -3.407 -17.395 0.319 1.00 0.00 O ATOM 886 CB ALA A 57 -5.523 -16.400 2.379 1.00 0.00 C ATOM 0 H ALA A 57 -4.229 -18.685 2.674 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.539 -17.758 1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.846 -15.510 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.206 -16.590 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.517 -16.243 2.767 1.00 0.00 H new ATOM 892 N VAL A 58 -5.257 -16.996 -0.899 1.00 0.00 N ATOM 893 CA VAL A 58 -4.521 -16.708 -2.124 1.00 0.00 C ATOM 894 C VAL A 58 -4.842 -15.311 -2.642 1.00 0.00 C ATOM 895 O VAL A 58 -5.941 -15.057 -3.137 1.00 0.00 O ATOM 896 CB VAL A 58 -4.839 -17.737 -3.225 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.076 -17.409 -4.499 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.514 -19.145 -2.747 1.00 0.00 C ATOM 0 H VAL A 58 -6.271 -16.928 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.461 -16.767 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.905 -17.689 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.313 -18.147 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.362 -16.417 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.005 -17.428 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.745 -19.860 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.455 -19.209 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.109 -19.376 -1.864 1.00 0.00 H new ATOM 908 N PHE A 59 -3.876 -14.406 -2.526 1.00 0.00 N ATOM 909 CA PHE A 59 -4.055 -13.032 -2.982 1.00 0.00 C ATOM 910 C PHE A 59 -3.068 -12.696 -4.096 1.00 0.00 C ATOM 911 O PHE A 59 -1.999 -13.299 -4.196 1.00 0.00 O ATOM 912 CB PHE A 59 -3.878 -12.058 -1.816 1.00 0.00 C ATOM 913 CG PHE A 59 -2.530 -12.148 -1.159 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.275 -13.114 -0.200 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.518 -11.264 -1.501 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.035 -13.200 0.406 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.277 -11.345 -0.899 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.036 -12.313 0.057 1.00 0.00 C ATOM 0 H PHE A 59 -2.961 -14.599 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.067 -12.935 -3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.030 -11.041 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.650 -12.251 -1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.054 -13.809 0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.702 -10.504 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.848 -13.959 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.504 -10.652 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.933 -12.376 0.531 1.00 0.00 H new ATOM 928 N HIS A 60 -3.434 -11.729 -4.931 1.00 0.00 N ATOM 929 CA HIS A 60 -2.580 -11.311 -6.037 1.00 0.00 C ATOM 930 C HIS A 60 -2.722 -9.814 -6.298 1.00 0.00 C ATOM 931 O HIS A 60 -3.764 -9.352 -6.766 1.00 0.00 O ATOM 932 CB HIS A 60 -2.929 -12.096 -7.302 1.00 0.00 C ATOM 933 CG HIS A 60 -1.977 -11.862 -8.434 1.00 0.00 C ATOM 934 ND1 HIS A 60 -1.877 -12.705 -9.520 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.079 -10.871 -8.646 1.00 0.00 C ATOM 936 CE1 HIS A 60 -0.958 -12.245 -10.350 1.00 0.00 C ATOM 937 NE2 HIS A 60 -0.459 -11.132 -9.843 1.00 0.00 N ATOM 0 H HIS A 60 -4.316 -11.220 -4.863 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.545 -11.517 -5.763 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.946 -13.160 -7.066 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.935 -11.825 -7.622 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.427 -13.552 -9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.886 -10.031 -7.995 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.665 -12.701 -11.284 1.00 0.00 H new ATOM 946 N ILE A 61 -1.670 -9.063 -5.992 1.00 0.00 N ATOM 947 CA ILE A 61 -1.678 -7.619 -6.193 1.00 0.00 C ATOM 948 C ILE A 61 -1.032 -7.246 -7.523 1.00 0.00 C ATOM 949 O ILE A 61 -0.074 -7.883 -7.961 1.00 0.00 O ATOM 950 CB ILE A 61 -0.942 -6.888 -5.055 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.416 -7.407 -3.696 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.163 -5.386 -5.160 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.592 -8.562 -3.170 1.00 0.00 C ATOM 0 H ILE A 61 -0.801 -9.430 -5.604 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.722 -7.307 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 61 0.126 -7.086 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.386 -6.591 -2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.456 -7.721 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.637 -4.883 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.782 -5.028 -6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.229 -5.169 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.984 -8.879 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.642 -9.394 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.445 -8.246 -3.055 1.00 0.00 H new ATOM 965 N LYS A 62 -1.563 -6.209 -8.161 1.00 0.00 N ATOM 966 CA LYS A 62 -1.037 -5.747 -9.441 1.00 0.00 C ATOM 967 C LYS A 62 -0.997 -4.223 -9.494 1.00 0.00 C ATOM 968 O LYS A 62 -1.990 -3.555 -9.204 1.00 0.00 O ATOM 969 CB LYS A 62 -1.890 -6.286 -10.591 1.00 0.00 C ATOM 970 CG LYS A 62 -1.738 -7.781 -10.812 1.00 0.00 C ATOM 971 CD LYS A 62 -0.451 -8.107 -11.552 1.00 0.00 C ATOM 972 CE LYS A 62 -0.560 -7.775 -13.032 1.00 0.00 C ATOM 973 NZ LYS A 62 -1.205 -8.875 -13.801 1.00 0.00 N ATOM 0 H LYS A 62 -2.357 -5.672 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.019 -6.124 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.938 -6.061 -10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.621 -5.762 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.746 -8.295 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.590 -8.154 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.375 -7.547 -11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.219 -9.165 -11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.136 -6.858 -13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.434 -7.584 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.261 -8.610 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.642 -9.744 -13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.164 -9.040 -13.433 1.00 0.00 H new ATOM 987 N THR A 63 0.156 -3.678 -9.868 1.00 0.00 N ATOM 988 CA THR A 63 0.325 -2.233 -9.961 1.00 0.00 C ATOM 989 C THR A 63 1.476 -1.872 -10.892 1.00 0.00 C ATOM 990 O THR A 63 2.282 -2.728 -11.259 1.00 0.00 O ATOM 991 CB THR A 63 0.584 -1.608 -8.577 1.00 0.00 C ATOM 992 OG1 THR A 63 0.488 -0.182 -8.657 1.00 0.00 O ATOM 993 CG2 THR A 63 1.958 -2.001 -8.055 1.00 0.00 C ATOM 0 H THR A 63 0.988 -4.216 -10.112 1.00 0.00 H new ATOM 0 HA THR A 63 -0.604 -1.832 -10.365 1.00 0.00 H new ATOM 0 HB THR A 63 -0.171 -1.983 -7.886 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.652 0.207 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.119 -1.548 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.017 -3.086 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.724 -1.651 -8.747 1.00 0.00 H new ATOM 1001 N CYS A 64 1.548 -0.601 -11.271 1.00 0.00 N ATOM 1002 CA CYS A 64 2.602 -0.127 -12.161 1.00 0.00 C ATOM 1003 C CYS A 64 3.324 1.073 -11.558 1.00 0.00 C ATOM 1004 O CYS A 64 2.788 1.758 -10.686 1.00 0.00 O ATOM 1005 CB CYS A 64 2.017 0.246 -13.524 1.00 0.00 C ATOM 1006 SG CYS A 64 0.765 1.548 -13.459 1.00 0.00 S ATOM 0 H CYS A 64 0.889 0.120 -10.976 1.00 0.00 H new ATOM 0 HA CYS A 64 3.324 -0.933 -12.292 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.827 0.568 -14.179 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.577 -0.644 -13.974 1.00 0.00 H new ATOM 0 HG CYS A 64 0.333 1.794 -14.660 1.00 0.00 H new ATOM 1012 N ARG A 65 4.543 1.321 -12.026 1.00 0.00 N ATOM 1013 CA ARG A 65 5.339 2.437 -11.531 1.00 0.00 C ATOM 1014 C ARG A 65 4.547 3.740 -11.591 1.00 0.00 C ATOM 1015 O ARG A 65 3.540 3.850 -12.290 1.00 0.00 O ATOM 1016 CB ARG A 65 6.627 2.573 -12.345 1.00 0.00 C ATOM 1017 CG ARG A 65 7.811 1.835 -11.740 1.00 0.00 C ATOM 1018 CD ARG A 65 8.973 1.752 -12.717 1.00 0.00 C ATOM 1019 NE ARG A 65 9.961 0.756 -12.309 1.00 0.00 N ATOM 1020 CZ ARG A 65 9.723 -0.550 -12.293 1.00 0.00 C ATOM 1021 NH1 ARG A 65 8.538 -1.017 -12.661 1.00 0.00 N ATOM 1022 NH2 ARG A 65 10.673 -1.394 -11.909 1.00 0.00 N ATOM 0 H ARG A 65 5.001 0.764 -12.747 1.00 0.00 H new ATOM 0 HA ARG A 65 5.594 2.235 -10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.451 2.196 -13.353 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.878 3.630 -12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.133 2.344 -10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.505 0.830 -11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.596 1.503 -13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.452 2.728 -12.794 1.00 0.00 H new ATOM 0 HE ARG A 65 10.884 1.082 -12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.805 -0.372 -12.958 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.359 -2.021 -12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.586 -1.039 -11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.489 -2.397 -11.897 1.00 0.00 H new ATOM 1036 N PRO A 66 5.011 4.750 -10.840 1.00 0.00 N ATOM 1037 CA PRO A 66 6.209 4.629 -10.004 1.00 0.00 C ATOM 1038 C PRO A 66 5.989 3.711 -8.806 1.00 0.00 C ATOM 1039 O PRO A 66 6.904 3.475 -8.017 1.00 0.00 O ATOM 1040 CB PRO A 66 6.461 6.065 -9.537 1.00 0.00 C ATOM 1041 CG PRO A 66 5.126 6.723 -9.596 1.00 0.00 C ATOM 1042 CD PRO A 66 4.402 6.087 -10.750 1.00 0.00 C ATOM 0 HA PRO A 66 7.044 4.190 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.869 6.087 -8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.180 6.570 -10.182 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.578 6.579 -8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.227 7.798 -9.743 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.329 6.028 -10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.538 6.653 -11.671 1.00 0.00 H new ATOM 1050 N PHE A 67 4.772 3.195 -8.678 1.00 0.00 N ATOM 1051 CA PHE A 67 4.432 2.302 -7.575 1.00 0.00 C ATOM 1052 C PHE A 67 4.560 0.842 -7.999 1.00 0.00 C ATOM 1053 O PHE A 67 4.070 0.446 -9.056 1.00 0.00 O ATOM 1054 CB PHE A 67 3.010 2.580 -7.086 1.00 0.00 C ATOM 1055 CG PHE A 67 2.933 3.665 -6.050 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.321 3.422 -4.742 1.00 0.00 C ATOM 1057 CD2 PHE A 67 2.473 4.929 -6.384 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.252 4.418 -3.787 1.00 0.00 C ATOM 1059 CE2 PHE A 67 2.403 5.929 -5.433 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.792 5.673 -4.132 1.00 0.00 C ATOM 0 H PHE A 67 4.004 3.379 -9.324 1.00 0.00 H new ATOM 0 HA PHE A 67 5.132 2.488 -6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.389 2.858 -7.938 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.591 1.663 -6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.682 2.442 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.166 5.135 -7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.558 4.215 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.044 6.910 -5.706 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.736 6.453 -3.387 1.00 0.00 H new ATOM 1070 N SER A 68 5.224 0.047 -7.166 1.00 0.00 N ATOM 1071 CA SER A 68 5.421 -1.369 -7.455 1.00 0.00 C ATOM 1072 C SER A 68 5.695 -2.152 -6.175 1.00 0.00 C ATOM 1073 O SER A 68 6.184 -1.599 -5.189 1.00 0.00 O ATOM 1074 CB SER A 68 6.580 -1.554 -8.437 1.00 0.00 C ATOM 1075 OG SER A 68 6.387 -0.777 -9.606 1.00 0.00 O ATOM 0 H SER A 68 5.635 0.359 -6.286 1.00 0.00 H new ATOM 0 HA SER A 68 4.506 -1.753 -7.906 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.516 -1.269 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.668 -2.606 -8.707 1.00 0.00 H new ATOM 0 HG SER A 68 5.433 -0.584 -9.717 1.00 0.00 H new ATOM 1081 N ILE A 69 5.375 -3.442 -6.198 1.00 0.00 N ATOM 1082 CA ILE A 69 5.587 -4.301 -5.040 1.00 0.00 C ATOM 1083 C ILE A 69 5.895 -5.732 -5.467 1.00 0.00 C ATOM 1084 O ILE A 69 5.700 -6.100 -6.625 1.00 0.00 O ATOM 1085 CB ILE A 69 4.358 -4.308 -4.112 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.427 -5.467 -4.471 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.620 -2.981 -4.201 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.849 -5.368 -5.866 1.00 0.00 C ATOM 0 H ILE A 69 4.968 -3.914 -7.005 1.00 0.00 H new ATOM 0 HA ILE A 69 6.440 -3.894 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 69 4.697 -4.445 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.975 -6.405 -4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.610 -5.503 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.754 -3.001 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.287 -2.173 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.290 -2.817 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.199 -6.223 -6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.273 -4.447 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.659 -5.363 -6.596 1.00 0.00 H new ATOM 1100 N GLU A 70 6.377 -6.535 -4.524 1.00 0.00 N ATOM 1101 CA GLU A 70 6.711 -7.927 -4.803 1.00 0.00 C ATOM 1102 C GLU A 70 6.926 -8.705 -3.508 1.00 0.00 C ATOM 1103 O GLU A 70 7.383 -8.167 -2.499 1.00 0.00 O ATOM 1104 CB GLU A 70 7.966 -8.008 -5.674 1.00 0.00 C ATOM 1105 CG GLU A 70 8.940 -9.090 -5.238 1.00 0.00 C ATOM 1106 CD GLU A 70 9.827 -9.568 -6.372 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.393 -10.464 -7.126 1.00 0.00 O ATOM 1108 OE2 GLU A 70 10.953 -9.046 -6.506 1.00 0.00 O ATOM 0 H GLU A 70 6.545 -6.246 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 70 5.875 -8.374 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.670 -8.192 -6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.474 -7.044 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.564 -8.708 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.382 -9.936 -4.837 1.00 0.00 H new ATOM 1115 N PRO A 71 6.588 -10.003 -3.535 1.00 0.00 N ATOM 1116 CA PRO A 71 6.043 -10.654 -4.730 1.00 0.00 C ATOM 1117 C PRO A 71 4.631 -10.180 -5.056 1.00 0.00 C ATOM 1118 O PRO A 71 3.768 -10.122 -4.180 1.00 0.00 O ATOM 1119 CB PRO A 71 6.035 -12.138 -4.353 1.00 0.00 C ATOM 1120 CG PRO A 71 5.958 -12.150 -2.865 1.00 0.00 C ATOM 1121 CD PRO A 71 6.713 -10.935 -2.402 1.00 0.00 C ATOM 0 HA PRO A 71 6.631 -10.429 -5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.185 -12.655 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.935 -12.641 -4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.922 -12.118 -2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.398 -13.061 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.284 -10.519 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.756 -11.168 -2.186 1.00 0.00 H new ATOM 1129 N ALA A 72 4.403 -9.841 -6.320 1.00 0.00 N ATOM 1130 CA ALA A 72 3.094 -9.373 -6.762 1.00 0.00 C ATOM 1131 C ALA A 72 1.993 -10.335 -6.329 1.00 0.00 C ATOM 1132 O ALA A 72 0.840 -9.938 -6.161 1.00 0.00 O ATOM 1133 CB ALA A 72 3.079 -9.197 -8.273 1.00 0.00 C ATOM 0 H ALA A 72 5.107 -9.881 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 72 2.903 -8.408 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.096 -8.847 -8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.834 -8.466 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.296 -10.151 -8.753 1.00 0.00 H new ATOM 1139 N ILE A 73 2.356 -11.601 -6.149 1.00 0.00 N ATOM 1140 CA ILE A 73 1.398 -12.618 -5.735 1.00 0.00 C ATOM 1141 C ILE A 73 2.048 -13.641 -4.810 1.00 0.00 C ATOM 1142 O ILE A 73 3.231 -13.952 -4.944 1.00 0.00 O ATOM 1143 CB ILE A 73 0.795 -13.350 -6.949 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.017 -14.563 -6.488 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.894 -13.776 -7.911 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -0.811 -15.215 -7.598 1.00 0.00 C ATOM 0 H ILE A 73 3.306 -11.946 -6.283 1.00 0.00 H new ATOM 0 HA ILE A 73 0.601 -12.102 -5.199 1.00 0.00 H new ATOM 0 HB ILE A 73 0.127 -12.666 -7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.660 -15.300 -6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.700 -14.254 -5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.452 -14.292 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.434 -12.896 -8.260 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.585 -14.446 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.362 -16.067 -7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.512 -14.493 -8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.132 -15.555 -8.380 1.00 0.00 H new ATOM 1158 N GLY A 74 1.265 -14.164 -3.871 1.00 0.00 N ATOM 1159 CA GLY A 74 1.781 -15.149 -2.938 1.00 0.00 C ATOM 1160 C GLY A 74 0.679 -15.899 -2.218 1.00 0.00 C ATOM 1161 O GLY A 74 -0.505 -15.649 -2.447 1.00 0.00 O ATOM 0 H GLY A 74 0.283 -13.923 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.409 -15.860 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.417 -14.652 -2.205 1.00 0.00 H new ATOM 1165 N THR A 75 1.067 -16.823 -1.345 1.00 0.00 N ATOM 1166 CA THR A 75 0.103 -17.615 -0.591 1.00 0.00 C ATOM 1167 C THR A 75 0.485 -17.689 0.883 1.00 0.00 C ATOM 1168 O THR A 75 1.615 -18.041 1.225 1.00 0.00 O ATOM 1169 CB THR A 75 -0.012 -19.044 -1.152 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.291 -19.620 -1.297 1.00 0.00 O ATOM 1171 CG2 THR A 75 -0.723 -19.042 -2.497 1.00 0.00 C ATOM 0 H THR A 75 2.043 -17.041 -1.142 1.00 0.00 H new ATOM 0 HA THR A 75 -0.861 -17.116 -0.689 1.00 0.00 H new ATOM 0 HB THR A 75 -0.596 -19.640 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.893 -19.242 -0.622 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.792 -20.063 -2.873 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.725 -18.630 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.162 -18.432 -3.204 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.462 -17.357 1.753 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.224 -17.386 3.192 1.00 0.00 C ATOM 1181 C LEU A 76 -1.151 -18.386 3.876 1.00 0.00 C ATOM 1182 O LEU A 76 -2.342 -18.450 3.575 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.426 -15.994 3.791 1.00 0.00 C ATOM 1184 CG LEU A 76 0.179 -15.765 5.177 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.683 -15.984 5.146 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.149 -14.366 5.678 1.00 0.00 C ATOM 0 H LEU A 76 -1.402 -17.064 1.487 1.00 0.00 H new ATOM 0 HA LEU A 76 0.806 -17.700 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.002 -15.260 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.496 -15.796 3.847 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.258 -16.487 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.096 -15.817 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.895 -17.006 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.138 -15.287 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.289 -14.221 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.259 -13.627 4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.231 -14.246 5.740 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.597 -19.163 4.801 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.374 -20.158 5.530 1.00 0.00 C ATOM 1200 C ASN A 77 -1.799 -19.624 6.895 1.00 0.00 C ATOM 1201 O ASN A 77 -1.130 -18.768 7.474 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.562 -21.443 5.703 1.00 0.00 C ATOM 1203 CG ASN A 77 -0.005 -21.956 4.389 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.524 -21.644 3.318 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.057 -22.749 4.467 1.00 0.00 N ATOM 0 H ASN A 77 0.388 -19.122 5.063 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.271 -20.378 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.259 -21.260 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.193 -22.211 6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.476 -23.126 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.454 -22.981 5.377 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.915 -20.136 7.403 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.428 -19.712 8.701 1.00 0.00 C ATOM 1214 C VAL A 78 -2.417 -19.985 9.808 1.00 0.00 C ATOM 1215 O VAL A 78 -1.843 -21.070 9.886 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.750 -20.426 9.041 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.252 -19.996 10.411 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.795 -20.151 7.970 1.00 0.00 C ATOM 0 H VAL A 78 -3.481 -20.845 6.936 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.608 -18.639 8.635 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.566 -21.500 9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.187 -20.511 10.634 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.509 -20.250 11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.421 -18.919 10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.722 -20.663 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.978 -19.078 7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.434 -20.514 7.008 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.202 -18.991 10.664 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.259 -19.143 11.757 1.00 0.00 C ATOM 1230 C GLY A 79 0.111 -18.587 11.422 1.00 0.00 C ATOM 1231 O GLY A 79 0.861 -18.191 12.313 1.00 0.00 O ATOM 0 H GLY A 79 -2.664 -18.083 10.620 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.647 -18.637 12.641 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.167 -20.199 12.009 1.00 0.00 H new ATOM 1235 N GLU A 80 0.438 -18.560 10.133 1.00 0.00 N ATOM 1236 CA GLU A 80 1.729 -18.051 9.684 1.00 0.00 C ATOM 1237 C GLU A 80 1.589 -16.645 9.110 1.00 0.00 C ATOM 1238 O GLU A 80 0.479 -16.145 8.926 1.00 0.00 O ATOM 1239 CB GLU A 80 2.332 -18.985 8.633 1.00 0.00 C ATOM 1240 CG GLU A 80 2.808 -20.313 9.200 1.00 0.00 C ATOM 1241 CD GLU A 80 4.110 -20.187 9.967 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.284 -19.176 10.679 1.00 0.00 O ATOM 1243 OE2 GLU A 80 4.954 -21.100 9.855 1.00 0.00 O ATOM 0 H GLU A 80 -0.172 -18.884 9.383 1.00 0.00 H new ATOM 0 HA GLU A 80 2.394 -18.008 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.588 -19.176 7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.171 -18.483 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.040 -20.718 9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.938 -21.026 8.386 1.00 0.00 H new ATOM 1250 N SER A 81 2.723 -16.011 8.830 1.00 0.00 N ATOM 1251 CA SER A 81 2.729 -14.660 8.281 1.00 0.00 C ATOM 1252 C SER A 81 3.832 -14.501 7.240 1.00 0.00 C ATOM 1253 O SER A 81 4.628 -15.413 7.019 1.00 0.00 O ATOM 1254 CB SER A 81 2.916 -13.633 9.400 1.00 0.00 C ATOM 1255 OG SER A 81 2.178 -13.995 10.554 1.00 0.00 O ATOM 0 H SER A 81 3.650 -16.411 8.974 1.00 0.00 H new ATOM 0 HA SER A 81 1.768 -14.488 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.974 -13.553 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.596 -12.651 9.053 1.00 0.00 H new ATOM 0 HG SER A 81 2.316 -13.324 11.254 1.00 0.00 H new ATOM 1261 N MET A 82 3.871 -13.336 6.602 1.00 0.00 N ATOM 1262 CA MET A 82 4.877 -13.056 5.583 1.00 0.00 C ATOM 1263 C MET A 82 5.136 -11.557 5.472 1.00 0.00 C ATOM 1264 O MET A 82 4.485 -10.755 6.141 1.00 0.00 O ATOM 1265 CB MET A 82 4.431 -13.610 4.229 1.00 0.00 C ATOM 1266 CG MET A 82 3.378 -12.756 3.540 1.00 0.00 C ATOM 1267 SD MET A 82 4.081 -11.657 2.296 1.00 0.00 S ATOM 1268 CE MET A 82 3.925 -12.666 0.825 1.00 0.00 C ATOM 0 H MET A 82 3.218 -12.571 6.772 1.00 0.00 H new ATOM 0 HA MET A 82 5.804 -13.546 5.880 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.300 -13.697 3.577 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.036 -14.616 4.370 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.640 -13.406 3.070 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.851 -12.163 4.287 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.747 -12.446 0.144 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.955 -13.720 1.102 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.978 -12.447 0.332 1.00 0.00 H new ATOM 1278 N GLN A 83 6.091 -11.187 4.625 1.00 0.00 N ATOM 1279 CA GLN A 83 6.436 -9.784 4.428 1.00 0.00 C ATOM 1280 C GLN A 83 6.273 -9.384 2.966 1.00 0.00 C ATOM 1281 O GLN A 83 6.465 -10.199 2.062 1.00 0.00 O ATOM 1282 CB GLN A 83 7.872 -9.521 4.885 1.00 0.00 C ATOM 1283 CG GLN A 83 8.005 -9.314 6.385 1.00 0.00 C ATOM 1284 CD GLN A 83 9.448 -9.179 6.829 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.366 -9.629 6.143 1.00 0.00 O ATOM 1286 NE2 GLN A 83 9.656 -8.557 7.984 1.00 0.00 N ATOM 0 H GLN A 83 6.639 -11.839 4.064 1.00 0.00 H new ATOM 0 HA GLN A 83 5.755 -9.180 5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.499 -10.361 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.253 -8.639 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.454 -8.419 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.545 -10.154 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.865 -8.200 8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.606 -8.437 8.335 1.00 0.00 H new ATOM 1295 N LEU A 84 5.917 -8.124 2.739 1.00 0.00 N ATOM 1296 CA LEU A 84 5.728 -7.614 1.385 1.00 0.00 C ATOM 1297 C LEU A 84 6.549 -6.348 1.160 1.00 0.00 C ATOM 1298 O LEU A 84 6.293 -5.315 1.778 1.00 0.00 O ATOM 1299 CB LEU A 84 4.248 -7.329 1.128 1.00 0.00 C ATOM 1300 CG LEU A 84 3.340 -8.553 1.004 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.879 -8.132 0.956 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.704 -9.364 -0.231 1.00 0.00 C ATOM 0 H LEU A 84 5.753 -7.437 3.475 1.00 0.00 H new ATOM 0 HA LEU A 84 6.071 -8.376 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.873 -6.704 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.165 -6.746 0.211 1.00 0.00 H new ATOM 0 HG LEU A 84 3.487 -9.181 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.248 -9.017 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.625 -7.595 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.716 -7.482 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.048 -10.231 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.587 -8.745 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.739 -9.698 -0.155 1.00 0.00 H new ATOM 1314 N GLU A 85 7.533 -6.436 0.271 1.00 0.00 N ATOM 1315 CA GLU A 85 8.389 -5.296 -0.036 1.00 0.00 C ATOM 1316 C GLU A 85 7.758 -4.416 -1.110 1.00 0.00 C ATOM 1317 O GLU A 85 7.759 -4.761 -2.292 1.00 0.00 O ATOM 1318 CB GLU A 85 9.767 -5.775 -0.497 1.00 0.00 C ATOM 1319 CG GLU A 85 10.709 -6.112 0.647 1.00 0.00 C ATOM 1320 CD GLU A 85 11.753 -7.140 0.259 1.00 0.00 C ATOM 1321 OE1 GLU A 85 11.398 -8.108 -0.446 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.924 -6.978 0.660 1.00 0.00 O ATOM 0 H GLU A 85 7.757 -7.284 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 85 8.503 -4.704 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.644 -6.656 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.223 -5.002 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.207 -5.202 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.130 -6.488 1.491 1.00 0.00 H new ATOM 1329 N VAL A 86 7.219 -3.275 -0.691 1.00 0.00 N ATOM 1330 CA VAL A 86 6.585 -2.344 -1.616 1.00 0.00 C ATOM 1331 C VAL A 86 7.551 -1.242 -2.036 1.00 0.00 C ATOM 1332 O VAL A 86 7.942 -0.404 -1.224 1.00 0.00 O ATOM 1333 CB VAL A 86 5.330 -1.702 -0.995 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.765 -0.632 -1.917 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.284 -2.763 -0.691 1.00 0.00 C ATOM 0 H VAL A 86 7.209 -2.974 0.283 1.00 0.00 H new ATOM 0 HA VAL A 86 6.293 -2.921 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 86 5.614 -1.225 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.879 -0.190 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.515 0.142 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.496 -1.081 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.404 -2.292 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.002 -3.271 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.695 -3.488 0.011 1.00 0.00 H new ATOM 1345 N GLU A 87 7.933 -1.250 -3.309 1.00 0.00 N ATOM 1346 CA GLU A 87 8.854 -0.251 -3.837 1.00 0.00 C ATOM 1347 C GLU A 87 8.102 0.833 -4.603 1.00 0.00 C ATOM 1348 O GLU A 87 7.237 0.539 -5.428 1.00 0.00 O ATOM 1349 CB GLU A 87 9.890 -0.911 -4.750 1.00 0.00 C ATOM 1350 CG GLU A 87 11.201 -0.148 -4.835 1.00 0.00 C ATOM 1351 CD GLU A 87 12.160 -0.748 -5.845 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.707 -1.539 -6.697 1.00 0.00 O ATOM 1353 OE2 GLU A 87 13.365 -0.424 -5.781 1.00 0.00 O ATOM 0 H GLU A 87 7.619 -1.937 -3.994 1.00 0.00 H new ATOM 0 HA GLU A 87 9.366 0.213 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.089 -1.920 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.470 -1.008 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.997 0.888 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.674 -0.135 -3.853 1.00 0.00 H new ATOM 1360 N PHE A 88 8.437 2.088 -4.323 1.00 0.00 N ATOM 1361 CA PHE A 88 7.793 3.217 -4.984 1.00 0.00 C ATOM 1362 C PHE A 88 8.763 4.386 -5.133 1.00 0.00 C ATOM 1363 O PHE A 88 9.085 5.066 -4.160 1.00 0.00 O ATOM 1364 CB PHE A 88 6.560 3.661 -4.195 1.00 0.00 C ATOM 1365 CG PHE A 88 6.269 5.130 -4.313 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.692 5.646 -5.462 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.574 5.996 -3.274 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.423 6.997 -5.573 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.308 7.348 -3.380 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.733 7.849 -4.531 1.00 0.00 C ATOM 0 H PHE A 88 9.151 2.349 -3.643 1.00 0.00 H new ATOM 0 HA PHE A 88 7.484 2.895 -5.978 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.694 3.098 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.702 3.410 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.450 4.985 -6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.025 5.610 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.971 7.386 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.550 8.012 -2.563 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.526 8.906 -4.616 1.00 0.00 H new ATOM 1380 N GLU A 89 9.225 4.611 -6.360 1.00 0.00 N ATOM 1381 CA GLU A 89 10.159 5.696 -6.636 1.00 0.00 C ATOM 1382 C GLU A 89 9.536 6.724 -7.576 1.00 0.00 C ATOM 1383 O GLU A 89 9.451 6.523 -8.788 1.00 0.00 O ATOM 1384 CB GLU A 89 11.448 5.145 -7.248 1.00 0.00 C ATOM 1385 CG GLU A 89 12.430 6.224 -7.674 1.00 0.00 C ATOM 1386 CD GLU A 89 13.298 5.796 -8.841 1.00 0.00 C ATOM 1387 OE1 GLU A 89 13.030 4.721 -9.417 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.244 6.537 -9.179 1.00 0.00 O ATOM 0 H GLU A 89 8.968 4.057 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 89 10.394 6.188 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.933 4.490 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.196 4.532 -8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.879 7.124 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.067 6.484 -6.829 1.00 0.00 H new ATOM 1395 N PRO A 90 9.088 7.852 -7.006 1.00 0.00 N ATOM 1396 CA PRO A 90 8.465 8.934 -7.773 1.00 0.00 C ATOM 1397 C PRO A 90 9.465 9.665 -8.663 1.00 0.00 C ATOM 1398 O PRO A 90 10.672 9.440 -8.569 1.00 0.00 O ATOM 1399 CB PRO A 90 7.927 9.873 -6.691 1.00 0.00 C ATOM 1400 CG PRO A 90 8.789 9.615 -5.503 1.00 0.00 C ATOM 1401 CD PRO A 90 9.157 8.159 -5.567 1.00 0.00 C ATOM 0 HA PRO A 90 7.699 8.562 -8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.987 10.915 -7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.879 9.666 -6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.679 10.244 -5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.258 9.843 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.154 7.979 -5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.465 7.544 -4.991 1.00 0.00 H new ATOM 1409 N GLN A 91 8.956 10.539 -9.524 1.00 0.00 N ATOM 1410 CA GLN A 91 9.806 11.302 -10.430 1.00 0.00 C ATOM 1411 C GLN A 91 9.686 12.799 -10.159 1.00 0.00 C ATOM 1412 O GLN A 91 10.669 13.536 -10.245 1.00 0.00 O ATOM 1413 CB GLN A 91 9.435 11.005 -11.884 1.00 0.00 C ATOM 1414 CG GLN A 91 9.771 9.588 -12.319 1.00 0.00 C ATOM 1415 CD GLN A 91 11.034 9.061 -11.668 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.080 9.879 -11.655 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 11.071 7.930 -11.181 1.00 0.00 N flip ATOM 0 H GLN A 91 7.959 10.737 -9.614 1.00 0.00 H new ATOM 0 HA GLN A 91 10.839 11.001 -10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.367 11.174 -12.020 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.955 11.709 -12.534 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.938 8.929 -12.073 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.888 9.563 -13.402 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.244 7.334 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.929 7.590 -10.746 1.00 0.00 H new ATOM 1426 N SER A 92 8.477 13.240 -9.830 1.00 0.00 N ATOM 1427 CA SER A 92 8.228 14.650 -9.550 1.00 0.00 C ATOM 1428 C SER A 92 7.993 14.874 -8.059 1.00 0.00 C ATOM 1429 O SER A 92 7.103 14.269 -7.461 1.00 0.00 O ATOM 1430 CB SER A 92 7.020 15.144 -10.348 1.00 0.00 C ATOM 1431 OG SER A 92 7.279 15.108 -11.741 1.00 0.00 O ATOM 0 H SER A 92 7.654 12.642 -9.751 1.00 0.00 H new ATOM 0 HA SER A 92 9.109 15.216 -9.850 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.152 14.525 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.773 16.162 -10.047 1.00 0.00 H new ATOM 0 HG SER A 92 6.491 15.427 -12.229 1.00 0.00 H new ATOM 1437 N VAL A 93 8.798 15.749 -7.465 1.00 0.00 N ATOM 1438 CA VAL A 93 8.679 16.055 -6.044 1.00 0.00 C ATOM 1439 C VAL A 93 7.279 16.554 -5.706 1.00 0.00 C ATOM 1440 O VAL A 93 6.740 17.428 -6.382 1.00 0.00 O ATOM 1441 CB VAL A 93 9.709 17.115 -5.611 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.643 18.329 -6.525 1.00 0.00 C ATOM 1443 CG2 VAL A 93 9.481 17.516 -4.161 1.00 0.00 C ATOM 0 H VAL A 93 9.540 16.259 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 93 8.872 15.129 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 93 10.706 16.683 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.378 19.067 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.858 18.025 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.646 18.766 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.217 18.266 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.479 17.930 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.584 16.640 -3.521 1.00 0.00 H new ATOM 1453 N GLY A 94 6.695 15.991 -4.652 1.00 0.00 N ATOM 1454 CA GLY A 94 5.362 16.391 -4.241 1.00 0.00 C ATOM 1455 C GLY A 94 4.612 15.276 -3.540 1.00 0.00 C ATOM 1456 O GLY A 94 5.047 14.124 -3.549 1.00 0.00 O ATOM 0 H GLY A 94 7.121 15.265 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.433 17.251 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.796 16.711 -5.116 1.00 0.00 H new ATOM 1460 N ASP A 95 3.483 15.617 -2.929 1.00 0.00 N ATOM 1461 CA ASP A 95 2.670 14.636 -2.220 1.00 0.00 C ATOM 1462 C ASP A 95 2.175 13.550 -3.171 1.00 0.00 C ATOM 1463 O ASP A 95 1.390 13.818 -4.080 1.00 0.00 O ATOM 1464 CB ASP A 95 1.481 15.320 -1.544 1.00 0.00 C ATOM 1465 CG ASP A 95 0.796 16.322 -2.452 1.00 0.00 C ATOM 1466 OD1 ASP A 95 1.413 17.363 -2.760 1.00 0.00 O ATOM 1467 OD2 ASP A 95 -0.357 16.064 -2.857 1.00 0.00 O ATOM 0 H ASP A 95 3.110 16.566 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 95 3.292 14.169 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.760 14.564 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.822 15.826 -0.641 1.00 0.00 H new ATOM 1472 N HIS A 96 2.641 12.324 -2.954 1.00 0.00 N ATOM 1473 CA HIS A 96 2.246 11.198 -3.792 1.00 0.00 C ATOM 1474 C HIS A 96 1.318 10.255 -3.033 1.00 0.00 C ATOM 1475 O HIS A 96 1.634 9.812 -1.929 1.00 0.00 O ATOM 1476 CB HIS A 96 3.481 10.436 -4.275 1.00 0.00 C ATOM 1477 CG HIS A 96 4.304 11.198 -5.269 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.863 11.494 -6.541 1.00 0.00 N ATOM 1479 CD2 HIS A 96 5.546 11.725 -5.171 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.799 12.169 -7.183 1.00 0.00 C ATOM 1481 NE2 HIS A 96 5.831 12.324 -6.373 1.00 0.00 N ATOM 0 H HIS A 96 3.292 12.085 -2.206 1.00 0.00 H new ATOM 0 HA HIS A 96 1.709 11.591 -4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.103 10.187 -3.415 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.165 9.494 -4.723 1.00 0.00 H new ATOM 0 HD2 HIS A 96 6.193 11.682 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.732 12.533 -8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 96 6.698 12.809 -6.603 1.00 0.00 H new ATOM 1490 N SER A 97 0.170 9.953 -3.632 1.00 0.00 N ATOM 1491 CA SER A 97 -0.807 9.067 -3.011 1.00 0.00 C ATOM 1492 C SER A 97 -1.531 8.233 -4.063 1.00 0.00 C ATOM 1493 O SER A 97 -1.709 8.667 -5.200 1.00 0.00 O ATOM 1494 CB SER A 97 -1.820 9.878 -2.200 1.00 0.00 C ATOM 1495 OG SER A 97 -2.367 9.104 -1.147 1.00 0.00 O ATOM 0 H SER A 97 -0.106 10.309 -4.547 1.00 0.00 H new ATOM 0 HA SER A 97 -0.274 8.392 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.336 10.765 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.620 10.225 -2.854 1.00 0.00 H new ATOM 0 HG SER A 97 -2.123 8.163 -1.272 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.947 7.031 -3.674 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.647 6.154 -4.595 1.00 0.00 C ATOM 1503 C GLY A 98 -3.536 5.156 -3.881 1.00 0.00 C ATOM 1504 O GLY A 98 -4.044 5.432 -2.794 1.00 0.00 O ATOM 0 H GLY A 98 -1.812 6.649 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.252 6.754 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.920 5.617 -5.205 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.728 3.992 -4.494 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.565 2.951 -3.912 1.00 0.00 C ATOM 1510 C ARG A 99 -4.167 1.575 -4.440 1.00 0.00 C ATOM 1511 O ARG A 99 -3.935 1.401 -5.637 1.00 0.00 O ATOM 1512 CB ARG A 99 -6.039 3.220 -4.220 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.992 2.265 -3.520 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.415 2.801 -3.516 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.932 2.991 -4.869 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.913 3.835 -5.169 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.480 4.563 -4.217 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -10.328 3.953 -6.423 1.00 0.00 N ATOM 0 H ARG A 99 -3.315 3.747 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.418 2.964 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.282 4.242 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.195 3.151 -5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.969 1.296 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.660 2.104 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.061 2.110 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.443 3.750 -2.980 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.517 2.446 -5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.163 4.476 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.233 5.210 -4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.894 3.395 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.081 4.601 -6.652 1.00 0.00 H new ATOM 1532 N LEU A 100 -4.090 0.602 -3.539 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.719 -0.759 -3.913 1.00 0.00 C ATOM 1534 C LEU A 100 -4.936 -1.678 -3.896 1.00 0.00 C ATOM 1535 O LEU A 100 -5.519 -1.933 -2.842 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.647 -1.295 -2.963 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.197 -1.084 -3.400 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.239 -1.649 -2.363 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.951 -1.721 -4.760 1.00 0.00 C ATOM 0 H LEU A 100 -4.279 0.730 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.318 -0.736 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.784 -0.824 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.812 -2.364 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.016 -0.013 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.788 -1.490 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.397 -1.146 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.420 -2.717 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.086 -1.561 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.151 -2.791 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.612 -1.268 -5.499 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.312 -2.175 -5.069 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.457 -3.069 -5.188 1.00 0.00 C ATOM 1553 C ILE A 101 -6.010 -4.522 -5.307 1.00 0.00 C ATOM 1554 O ILE A 101 -5.490 -4.941 -6.341 1.00 0.00 O ATOM 1555 CB ILE A 101 -7.327 -2.710 -6.408 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.827 -1.268 -6.298 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.498 -3.675 -6.525 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.440 -0.743 -7.577 1.00 0.00 C ATOM 0 H ILE A 101 -4.840 -1.974 -5.951 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.049 -2.946 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.719 -2.796 -7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.566 -1.208 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.995 -0.624 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.104 -3.409 -7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.122 -4.691 -6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.109 -3.617 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.773 0.284 -7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.697 -0.771 -8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.292 -1.363 -7.853 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.217 -5.288 -4.240 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.838 -6.696 -4.225 1.00 0.00 C ATOM 1572 C VAL A 102 -6.939 -7.568 -4.819 1.00 0.00 C ATOM 1573 O VAL A 102 -8.113 -7.424 -4.474 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.531 -7.179 -2.795 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -5.094 -8.636 -2.806 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.468 -6.300 -2.153 1.00 0.00 C ATOM 0 H VAL A 102 -6.645 -4.957 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.938 -6.788 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.441 -7.102 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.881 -8.960 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.891 -9.252 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.196 -8.742 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.263 -6.655 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.554 -6.343 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.824 -5.271 -2.110 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.553 -8.472 -5.712 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.508 -9.368 -6.355 1.00 0.00 C ATOM 1588 C CYS A 103 -7.402 -10.777 -5.781 1.00 0.00 C ATOM 1589 O CYS A 103 -6.468 -11.516 -6.091 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.272 -9.401 -7.865 1.00 0.00 C ATOM 1591 SG CYS A 103 -7.717 -7.868 -8.715 1.00 0.00 S ATOM 0 H CYS A 103 -5.586 -8.604 -6.007 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.511 -8.990 -6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.220 -9.616 -8.053 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.847 -10.222 -8.294 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.480 -7.993 -9.987 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.365 -11.142 -4.941 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.378 -12.461 -4.320 1.00 0.00 C ATOM 1599 C TYR A 104 -8.709 -13.542 -5.344 1.00 0.00 C ATOM 1600 O TYR A 104 -9.193 -13.250 -6.438 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.393 -12.499 -3.176 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.935 -11.768 -1.935 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.923 -10.379 -1.888 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.515 -12.465 -0.810 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -8.504 -9.707 -0.756 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.095 -11.801 0.327 1.00 0.00 C ATOM 1607 CZ TYR A 104 -8.092 -10.422 0.349 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.675 -9.756 1.479 1.00 0.00 O ATOM 0 H TYR A 104 -9.146 -10.543 -4.675 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.383 -12.656 -3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.331 -12.062 -3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.600 -13.538 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.247 -9.816 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.517 -13.545 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.499 -8.627 -0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.771 -12.359 1.193 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.648 -10.379 2.235 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.443 -14.792 -4.982 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.713 -15.919 -5.867 1.00 0.00 C ATOM 1620 C ASP A 105 -10.143 -16.420 -5.689 1.00 0.00 C ATOM 1621 O ASP A 105 -10.544 -17.415 -6.293 1.00 0.00 O ATOM 1622 CB ASP A 105 -7.724 -17.055 -5.599 1.00 0.00 C ATOM 1623 CG ASP A 105 -7.456 -17.893 -6.833 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -7.217 -17.306 -7.909 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -7.485 -19.136 -6.723 1.00 0.00 O ATOM 0 H ASP A 105 -8.040 -15.051 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.592 -15.578 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.785 -16.637 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.115 -17.694 -4.807 1.00 0.00 H new ATOM 1630 N THR A 106 -10.908 -15.725 -4.853 1.00 0.00 N ATOM 1631 CA THR A 106 -12.292 -16.100 -4.593 1.00 0.00 C ATOM 1632 C THR A 106 -13.258 -15.069 -5.165 1.00 0.00 C ATOM 1633 O THR A 106 -14.319 -15.417 -5.683 1.00 0.00 O ATOM 1634 CB THR A 106 -12.558 -16.254 -3.084 1.00 0.00 C ATOM 1635 OG1 THR A 106 -12.529 -17.638 -2.719 1.00 0.00 O ATOM 1636 CG2 THR A 106 -13.904 -15.653 -2.707 1.00 0.00 C ATOM 0 H THR A 106 -10.592 -14.899 -4.344 1.00 0.00 H new ATOM 0 HA THR A 106 -12.457 -17.059 -5.083 1.00 0.00 H new ATOM 0 HB THR A 106 -11.776 -15.720 -2.544 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.697 -17.726 -1.758 1.00 0.00 H new ATOM 0 HG21 THR A 106 -14.069 -15.774 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 106 -13.912 -14.592 -2.958 1.00 0.00 H new ATOM 0 HG23 THR A 106 -14.696 -16.162 -3.256 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.884 -13.797 -5.069 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.729 -12.734 -5.582 1.00 0.00 C ATOM 1646 C GLY A 107 -13.622 -11.462 -4.765 1.00 0.00 C ATOM 1647 O GLY A 107 -13.944 -10.378 -5.249 1.00 0.00 O ATOM 0 H GLY A 107 -12.011 -13.483 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.454 -12.522 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.766 -13.070 -5.590 1.00 0.00 H new ATOM 1651 N GLU A 108 -13.170 -11.596 -3.522 1.00 0.00 N ATOM 1652 CA GLU A 108 -13.024 -10.447 -2.635 1.00 0.00 C ATOM 1653 C GLU A 108 -12.023 -9.445 -3.203 1.00 0.00 C ATOM 1654 O GLU A 108 -11.220 -9.778 -4.075 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.576 -10.902 -1.245 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.713 -11.411 -0.375 1.00 0.00 C ATOM 1657 CD GLU A 108 -13.256 -12.445 0.636 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -12.221 -13.099 0.388 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -13.933 -12.601 1.673 1.00 0.00 O ATOM 0 H GLU A 108 -12.899 -12.487 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.994 -9.957 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.831 -11.691 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.088 -10.069 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.168 -10.571 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.485 -11.846 -1.010 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.076 -8.216 -2.701 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.174 -7.164 -3.156 1.00 0.00 C ATOM 1668 C LYS A 109 -10.931 -6.141 -2.051 1.00 0.00 C ATOM 1669 O LYS A 109 -11.872 -5.559 -1.512 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.750 -6.469 -4.392 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.721 -5.677 -5.179 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.228 -5.328 -6.568 1.00 0.00 C ATOM 1673 CE LYS A 109 -11.935 -3.982 -6.582 1.00 0.00 C ATOM 1674 NZ LYS A 109 -12.485 -3.657 -7.927 1.00 0.00 N ATOM 0 H LYS A 109 -12.734 -7.924 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.221 -7.624 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.196 -7.219 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.552 -5.799 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.475 -4.762 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.801 -6.255 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.392 -5.308 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.913 -6.103 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.744 -3.989 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.237 -3.202 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.959 -2.732 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.710 -3.625 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.170 -4.387 -8.207 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.662 -5.925 -1.720 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.295 -4.970 -0.681 1.00 0.00 C ATOM 1690 C VAL A 110 -8.577 -3.762 -1.274 1.00 0.00 C ATOM 1691 O VAL A 110 -7.899 -3.869 -2.295 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.391 -5.618 0.384 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -6.969 -5.761 -0.137 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.417 -4.806 1.670 1.00 0.00 C ATOM 0 H VAL A 110 -8.871 -6.398 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.222 -4.644 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.774 -6.615 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.345 -6.221 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.970 -6.388 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.572 -4.777 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.773 -5.278 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.060 -3.796 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.437 -4.761 2.051 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.732 -2.612 -0.625 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.099 -1.383 -1.088 1.00 0.00 C ATOM 1706 C PHE A 111 -7.166 -0.816 -0.022 1.00 0.00 C ATOM 1707 O PHE A 111 -7.529 -0.724 1.151 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.161 -0.344 -1.456 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.090 -0.797 -2.546 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -11.101 -1.706 -2.280 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.951 -0.314 -3.838 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -11.957 -2.125 -3.281 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.805 -0.728 -4.842 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.808 -1.636 -4.564 1.00 0.00 C ATOM 0 H PHE A 111 -9.290 -2.506 0.222 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.509 -1.620 -1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.746 -0.103 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.666 0.575 -1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.222 -2.092 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.167 0.394 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -12.741 -2.834 -3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.688 -0.342 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.474 -1.963 -5.348 1.00 0.00 H new ATOM 1724 N VAL A 112 -5.961 -0.438 -0.438 1.00 0.00 N ATOM 1725 CA VAL A 112 -4.976 0.119 0.480 1.00 0.00 C ATOM 1726 C VAL A 112 -4.350 1.388 -0.090 1.00 0.00 C ATOM 1727 O VAL A 112 -3.477 1.327 -0.955 1.00 0.00 O ATOM 1728 CB VAL A 112 -3.859 -0.896 0.789 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -2.808 -0.274 1.695 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.442 -2.152 1.419 1.00 0.00 C ATOM 0 H VAL A 112 -5.644 -0.508 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.504 0.359 1.403 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.376 -1.176 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.027 -1.006 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.370 0.594 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.272 0.036 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.640 -2.859 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -4.950 -1.891 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.154 -2.607 0.731 1.00 0.00 H new ATOM 1740 N SER A 113 -4.803 2.537 0.402 1.00 0.00 N ATOM 1741 CA SER A 113 -4.290 3.821 -0.061 1.00 0.00 C ATOM 1742 C SER A 113 -2.769 3.870 0.048 1.00 0.00 C ATOM 1743 O SER A 113 -2.179 3.260 0.941 1.00 0.00 O ATOM 1744 CB SER A 113 -4.908 4.962 0.750 1.00 0.00 C ATOM 1745 OG SER A 113 -6.265 5.164 0.394 1.00 0.00 O ATOM 0 H SER A 113 -5.524 2.605 1.121 1.00 0.00 H new ATOM 0 HA SER A 113 -4.565 3.938 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.838 4.736 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.344 5.879 0.581 1.00 0.00 H new ATOM 0 HG SER A 113 -6.637 5.897 0.927 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.140 4.599 -0.866 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.687 4.729 -0.875 1.00 0.00 C ATOM 1753 C LEU A 114 -0.266 6.159 -0.552 1.00 0.00 C ATOM 1754 O LEU A 114 -1.037 7.101 -0.739 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.126 4.315 -2.236 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.388 2.869 -2.658 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.142 2.695 -4.149 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.484 1.913 -1.857 1.00 0.00 C ATOM 0 H LEU A 114 -2.613 5.110 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.284 4.069 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.545 4.976 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.951 4.481 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.433 2.635 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.333 1.660 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.809 3.352 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.893 2.948 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.284 0.888 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.534 2.147 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.259 2.018 -0.796 1.00 0.00 H new ATOM 1770 N TYR A 115 0.962 6.314 -0.069 1.00 0.00 N ATOM 1771 CA TYR A 115 1.485 7.630 0.280 1.00 0.00 C ATOM 1772 C TYR A 115 3.004 7.665 0.142 1.00 0.00 C ATOM 1773 O TYR A 115 3.646 6.633 -0.046 1.00 0.00 O ATOM 1774 CB TYR A 115 1.083 7.999 1.708 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.069 8.977 1.779 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.059 10.269 1.285 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.285 8.607 2.340 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.990 11.165 1.348 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.341 9.496 2.406 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.188 10.774 1.909 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.236 11.663 1.973 1.00 0.00 O ATOM 0 H TYR A 115 1.613 5.545 0.090 1.00 0.00 H new ATOM 0 HA TYR A 115 1.058 8.358 -0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.812 7.091 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.945 8.428 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.995 10.578 0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.407 7.608 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.873 12.166 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.280 9.192 2.844 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.007 11.230 2.396 1.00 0.00 H new ATOM 1791 N GLY A 116 3.573 8.863 0.238 1.00 0.00 N ATOM 1792 CA GLY A 116 5.012 9.013 0.122 1.00 0.00 C ATOM 1793 C GLY A 116 5.422 10.433 -0.214 1.00 0.00 C ATOM 1794 O GLY A 116 5.975 10.690 -1.282 1.00 0.00 O ATOM 0 H GLY A 116 3.063 9.732 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.482 8.715 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.383 8.339 -0.650 1.00 0.00 H new ATOM 1798 N ALA A 117 5.148 11.359 0.700 1.00 0.00 N ATOM 1799 CA ALA A 117 5.492 12.760 0.495 1.00 0.00 C ATOM 1800 C ALA A 117 6.961 12.914 0.115 1.00 0.00 C ATOM 1801 O ALA A 117 7.846 12.807 0.964 1.00 0.00 O ATOM 1802 CB ALA A 117 5.180 13.568 1.746 1.00 0.00 C ATOM 0 H ALA A 117 4.689 11.163 1.589 1.00 0.00 H new ATOM 0 HA ALA A 117 4.889 13.141 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.442 14.613 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.116 13.492 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.758 13.179 2.584 1.00 0.00 H new ATOM 1808 N ALA A 118 7.213 13.166 -1.165 1.00 0.00 N ATOM 1809 CA ALA A 118 8.575 13.337 -1.656 1.00 0.00 C ATOM 1810 C ALA A 118 9.083 14.749 -1.387 1.00 0.00 C ATOM 1811 O ALA A 118 8.304 15.649 -1.073 1.00 0.00 O ATOM 1812 CB ALA A 118 8.642 13.024 -3.144 1.00 0.00 C ATOM 0 H ALA A 118 6.492 13.256 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 118 9.219 12.640 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.665 13.156 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.329 11.994 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.980 13.698 -3.688 1.00 0.00 H new ATOM 1818 N ILE A 119 10.392 14.935 -1.511 1.00 0.00 N ATOM 1819 CA ILE A 119 11.003 16.239 -1.282 1.00 0.00 C ATOM 1820 C ILE A 119 12.099 16.520 -2.304 1.00 0.00 C ATOM 1821 O ILE A 119 12.881 15.635 -2.650 1.00 0.00 O ATOM 1822 CB ILE A 119 11.600 16.339 0.134 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.532 15.155 0.404 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.491 16.394 1.174 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.986 15.453 0.113 1.00 0.00 C ATOM 0 H ILE A 119 11.050 14.200 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 119 10.212 16.981 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 119 12.182 17.258 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.433 14.855 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.215 14.307 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.929 16.465 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.864 17.266 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.885 15.491 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.588 14.570 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.099 15.724 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.320 16.280 0.739 1.00 0.00 H new ATOM 1837 N ASP A 120 12.150 17.758 -2.783 1.00 0.00 N ATOM 1838 CA ASP A 120 13.152 18.158 -3.764 1.00 0.00 C ATOM 1839 C ASP A 120 14.559 17.856 -3.258 1.00 0.00 C ATOM 1840 O ASP A 120 15.050 18.506 -2.335 1.00 0.00 O ATOM 1841 CB ASP A 120 13.020 19.649 -4.081 1.00 0.00 C ATOM 1842 CG ASP A 120 11.625 20.177 -3.808 1.00 0.00 C ATOM 1843 OD1 ASP A 120 11.207 20.169 -2.631 1.00 0.00 O ATOM 1844 OD2 ASP A 120 10.952 20.599 -4.772 1.00 0.00 O ATOM 0 H ASP A 120 11.509 18.502 -2.508 1.00 0.00 H new ATOM 0 HA ASP A 120 12.982 17.584 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.741 20.209 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.271 19.819 -5.128 1.00 0.00 H new