USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl 146:sc= -1.78 (180deg=-1.33) USER MOD Set 1.2: A 37 TYR OH : rot -172:sc= 0.702 USER MOD Set 1.3: A 70 HIS : no HD1:sc= -1.02 K(o=-2.1,f=-9.4!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.115 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.17 USER MOD Single : A 30 SER OG : rot -37:sc= 0.00227 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0929 X(o=-0.093,f=-0.016) USER MOD Single : A 53 THR OG1 : rot -69:sc= 0.224 USER MOD Single : A 54 GLN : amide:sc= -0.0256 K(o=-0.026,f=-1.2!) USER MOD Single : A 55 MET CE :methyl -108:sc= -0.435 (180deg=-3.14!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 77 SER OG : rot 119:sc= 0.675 USER MOD Single : A 79 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=-0.0016) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -121:sc= -2.61! (180deg=-6.29!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 28.911 -24.808 27.399 1.00 0.00 N ATOM 331 CA VAL A 25 27.688 -24.154 26.949 1.00 0.00 C ATOM 332 C VAL A 25 27.996 -22.835 26.250 1.00 0.00 C ATOM 333 O VAL A 25 27.264 -22.408 25.356 1.00 0.00 O ATOM 334 CB VAL A 25 26.728 -23.888 28.123 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.476 -23.174 27.639 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.371 -25.190 28.824 1.00 0.00 C ATOM 0 HA VAL A 25 27.208 -24.833 26.244 1.00 0.00 H new ATOM 0 HB VAL A 25 27.231 -23.241 28.841 1.00 0.00 H new ATOM 0 HG11 VAL A 25 24.810 -22.995 28.483 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.752 -22.222 27.186 1.00 0.00 H new ATOM 0 HG13 VAL A 25 24.967 -23.793 26.900 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.692 -24.984 29.651 1.00 0.00 H new ATOM 0 HG22 VAL A 25 25.887 -25.863 28.117 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.278 -25.657 29.207 1.00 0.00 H new ATOM 346 N ASP A 26 29.084 -22.193 26.662 1.00 0.00 N ATOM 347 CA ASP A 26 29.490 -20.922 26.075 1.00 0.00 C ATOM 348 C ASP A 26 29.820 -21.088 24.594 1.00 0.00 C ATOM 349 O ASP A 26 29.543 -20.204 23.783 1.00 0.00 O ATOM 350 CB ASP A 26 30.700 -20.355 26.819 1.00 0.00 C ATOM 351 CG ASP A 26 30.595 -20.540 28.320 1.00 0.00 C ATOM 352 OD1 ASP A 26 30.758 -21.686 28.790 1.00 0.00 O ATOM 353 OD2 ASP A 26 30.351 -19.539 29.025 1.00 0.00 O ATOM 0 H ASP A 26 29.700 -22.532 27.400 1.00 0.00 H new ATOM 0 HA ASP A 26 28.657 -20.225 26.168 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.606 -20.842 26.458 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.797 -19.293 26.593 1.00 0.00 H new ATOM 358 N ASP A 27 30.413 -22.226 24.250 1.00 0.00 N ATOM 359 CA ASP A 27 30.781 -22.508 22.867 1.00 0.00 C ATOM 360 C ASP A 27 29.563 -22.947 22.060 1.00 0.00 C ATOM 361 O ASP A 27 29.310 -22.433 20.971 1.00 0.00 O ATOM 362 CB ASP A 27 31.860 -23.591 22.815 1.00 0.00 C ATOM 363 CG ASP A 27 33.077 -23.158 22.021 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.955 -22.486 22.601 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.150 -23.489 20.819 1.00 0.00 O ATOM 0 H ASP A 27 30.649 -22.968 24.909 1.00 0.00 H new ATOM 0 HA ASP A 27 31.175 -21.592 22.427 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.164 -23.846 23.830 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.443 -24.495 22.371 1.00 0.00 H new ATOM 370 N TRP A 28 28.814 -23.901 22.602 1.00 0.00 N ATOM 371 CA TRP A 28 27.623 -24.410 21.931 1.00 0.00 C ATOM 372 C TRP A 28 26.688 -23.270 21.542 1.00 0.00 C ATOM 373 O TRP A 28 26.339 -23.112 20.371 1.00 0.00 O ATOM 374 CB TRP A 28 26.889 -25.402 22.834 1.00 0.00 C ATOM 375 CG TRP A 28 25.480 -25.673 22.398 1.00 0.00 C ATOM 376 CD1 TRP A 28 25.064 -26.030 21.147 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.304 -25.606 23.211 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.699 -26.189 21.134 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.209 -25.936 22.388 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.068 -25.303 24.554 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.902 -25.968 22.865 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.770 -25.335 25.027 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.701 -25.666 24.185 1.00 0.00 C ATOM 0 H TRP A 28 29.010 -24.337 23.503 1.00 0.00 H new ATOM 0 HA TRP A 28 27.939 -24.922 21.022 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.442 -26.341 22.855 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.878 -25.015 23.853 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.712 -26.167 20.294 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.141 -26.453 20.322 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.886 -25.048 25.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.076 -26.222 22.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.577 -25.101 26.063 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.698 -25.683 24.585 1.00 0.00 H new ATOM 394 N LEU A 29 26.285 -22.478 22.529 1.00 0.00 N ATOM 395 CA LEU A 29 25.390 -21.351 22.290 1.00 0.00 C ATOM 396 C LEU A 29 25.969 -20.410 21.238 1.00 0.00 C ATOM 397 O LEU A 29 25.237 -19.850 20.422 1.00 0.00 O ATOM 398 CB LEU A 29 25.140 -20.587 23.591 1.00 0.00 C ATOM 399 CG LEU A 29 24.375 -21.344 24.677 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.103 -20.439 25.868 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.073 -21.903 24.122 1.00 0.00 C ATOM 0 H LEU A 29 26.564 -22.595 23.503 1.00 0.00 H new ATOM 0 HA LEU A 29 24.443 -21.743 21.919 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.103 -20.280 24.000 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.589 -19.677 23.354 1.00 0.00 H new ATOM 0 HG LEU A 29 24.991 -22.178 25.013 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.558 -20.995 26.631 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.048 -20.088 26.281 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.508 -19.584 25.547 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.542 -22.439 24.909 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.452 -21.085 23.757 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.291 -22.587 23.302 1.00 0.00 H new ATOM 413 N SER A 30 27.287 -20.243 21.262 1.00 0.00 N ATOM 414 CA SER A 30 27.964 -19.368 20.311 1.00 0.00 C ATOM 415 C SER A 30 27.918 -19.956 18.904 1.00 0.00 C ATOM 416 O SER A 30 28.130 -19.251 17.918 1.00 0.00 O ATOM 417 CB SER A 30 29.417 -19.147 20.736 1.00 0.00 C ATOM 418 OG SER A 30 29.956 -17.986 20.125 1.00 0.00 O ATOM 0 H SER A 30 27.908 -20.702 21.929 1.00 0.00 H new ATOM 0 HA SER A 30 27.445 -18.410 20.303 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.471 -19.050 21.820 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.015 -20.016 20.463 1.00 0.00 H new ATOM 0 HG SER A 30 29.615 -17.910 19.209 1.00 0.00 H new ATOM 424 N ALA A 31 27.639 -21.253 18.820 1.00 0.00 N ATOM 425 CA ALA A 31 27.562 -21.936 17.535 1.00 0.00 C ATOM 426 C ALA A 31 26.151 -21.872 16.962 1.00 0.00 C ATOM 427 O ALA A 31 25.917 -22.259 15.817 1.00 0.00 O ATOM 428 CB ALA A 31 28.010 -23.383 17.679 1.00 0.00 C ATOM 0 H ALA A 31 27.463 -21.851 19.627 1.00 0.00 H new ATOM 0 HA ALA A 31 28.231 -21.427 16.841 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.947 -23.881 16.712 1.00 0.00 H new ATOM 0 HB2 ALA A 31 29.040 -23.411 18.036 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.364 -23.894 18.393 1.00 0.00 H new ATOM 434 N ILE A 32 25.213 -21.381 17.766 1.00 0.00 N ATOM 435 CA ILE A 32 23.825 -21.265 17.338 1.00 0.00 C ATOM 436 C ILE A 32 23.339 -19.823 17.428 1.00 0.00 C ATOM 437 O ILE A 32 22.145 -19.549 17.307 1.00 0.00 O ATOM 438 CB ILE A 32 22.899 -22.161 18.182 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.199 -21.980 19.672 1.00 0.00 C ATOM 440 CG2 ILE A 32 23.057 -23.618 17.777 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.322 -22.823 20.571 1.00 0.00 C ATOM 0 H ILE A 32 25.390 -21.057 18.717 1.00 0.00 H new ATOM 0 HA ILE A 32 23.787 -21.593 16.299 1.00 0.00 H new ATOM 0 HB ILE A 32 21.866 -21.865 18.000 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.243 -22.231 19.857 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.072 -20.930 19.935 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.396 -24.238 18.383 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.799 -23.733 16.724 1.00 0.00 H new ATOM 0 HG23 ILE A 32 24.090 -23.929 17.933 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.590 -22.644 21.612 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.277 -22.556 20.414 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.466 -23.877 20.335 1.00 0.00 H new ATOM 453 N LYS A 33 24.274 -18.902 17.640 1.00 0.00 N ATOM 454 CA LYS A 33 23.943 -17.486 17.744 1.00 0.00 C ATOM 455 C LYS A 33 23.122 -17.209 18.999 1.00 0.00 C ATOM 456 O LYS A 33 22.549 -16.131 19.152 1.00 0.00 O ATOM 457 CB LYS A 33 23.170 -17.029 16.505 1.00 0.00 C ATOM 458 CG LYS A 33 23.749 -17.550 15.200 1.00 0.00 C ATOM 459 CD LYS A 33 23.922 -16.435 14.182 1.00 0.00 C ATOM 460 CE LYS A 33 22.715 -16.328 13.263 1.00 0.00 C ATOM 461 NZ LYS A 33 22.999 -15.482 12.071 1.00 0.00 N ATOM 0 H LYS A 33 25.267 -19.111 17.743 1.00 0.00 H new ATOM 0 HA LYS A 33 24.875 -16.925 17.810 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.135 -17.359 16.591 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.156 -15.939 16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.713 -18.022 15.391 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.093 -18.319 14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 33 24.071 -15.488 14.700 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.818 -16.618 13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.416 -17.325 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.874 -15.907 13.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.152 -15.434 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.259 -14.524 12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.784 -15.897 11.530 1.00 0.00 H new ATOM 475 N MET A 34 23.071 -18.189 19.895 1.00 0.00 N ATOM 476 CA MET A 34 22.322 -18.049 21.139 1.00 0.00 C ATOM 477 C MET A 34 23.264 -17.841 22.320 1.00 0.00 C ATOM 478 O MET A 34 22.909 -18.119 23.466 1.00 0.00 O ATOM 479 CB MET A 34 21.452 -19.284 21.377 1.00 0.00 C ATOM 480 CG MET A 34 20.555 -19.633 20.199 1.00 0.00 C ATOM 481 SD MET A 34 19.468 -18.273 19.728 1.00 0.00 S ATOM 482 CE MET A 34 18.313 -18.274 21.098 1.00 0.00 C ATOM 0 H MET A 34 23.539 -19.088 19.783 1.00 0.00 H new ATOM 0 HA MET A 34 21.680 -17.173 21.051 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.096 -20.135 21.597 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.832 -19.117 22.258 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.174 -19.911 19.346 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.951 -20.505 20.452 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.998 -17.252 21.309 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.442 -18.876 20.839 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.795 -18.695 21.980 1.00 0.00 H new ATOM 492 N VAL A 35 24.465 -17.350 22.034 1.00 0.00 N ATOM 493 CA VAL A 35 25.458 -17.103 23.073 1.00 0.00 C ATOM 494 C VAL A 35 24.929 -16.128 24.118 1.00 0.00 C ATOM 495 O VAL A 35 25.420 -16.084 25.246 1.00 0.00 O ATOM 496 CB VAL A 35 26.765 -16.544 22.480 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.720 -15.025 22.428 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.963 -17.023 23.286 1.00 0.00 C ATOM 0 H VAL A 35 24.774 -17.115 21.091 1.00 0.00 H new ATOM 0 HA VAL A 35 25.665 -18.062 23.547 1.00 0.00 H new ATOM 0 HB VAL A 35 26.870 -16.916 21.461 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.652 -14.648 22.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.884 -14.707 21.805 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.592 -14.630 23.436 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.878 -16.619 22.853 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.868 -16.682 24.317 1.00 0.00 H new ATOM 0 HG23 VAL A 35 28.003 -18.112 23.266 1.00 0.00 H new ATOM 508 N GLN A 36 23.923 -15.347 23.736 1.00 0.00 N ATOM 509 CA GLN A 36 23.327 -14.371 24.641 1.00 0.00 C ATOM 510 C GLN A 36 22.852 -15.040 25.926 1.00 0.00 C ATOM 511 O GLN A 36 22.760 -14.400 26.974 1.00 0.00 O ATOM 512 CB GLN A 36 22.157 -13.660 23.959 1.00 0.00 C ATOM 513 CG GLN A 36 21.007 -14.587 23.602 1.00 0.00 C ATOM 514 CD GLN A 36 20.501 -14.372 22.189 1.00 0.00 C ATOM 515 OE1 GLN A 36 21.233 -14.568 21.219 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.242 -13.967 22.065 1.00 0.00 N ATOM 0 H GLN A 36 23.504 -15.371 22.806 1.00 0.00 H new ATOM 0 HA GLN A 36 24.090 -13.636 24.897 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.788 -12.873 24.617 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.517 -13.175 23.052 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.331 -15.622 23.714 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.188 -14.431 24.305 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.670 -13.817 22.896 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.847 -13.806 21.138 1.00 0.00 H new ATOM 525 N TYR A 37 22.550 -16.331 25.839 1.00 0.00 N ATOM 526 CA TYR A 37 22.081 -17.086 26.994 1.00 0.00 C ATOM 527 C TYR A 37 23.208 -17.923 27.592 1.00 0.00 C ATOM 528 O TYR A 37 22.967 -18.966 28.199 1.00 0.00 O ATOM 529 CB TYR A 37 20.914 -17.991 26.598 1.00 0.00 C ATOM 530 CG TYR A 37 19.719 -17.237 26.060 1.00 0.00 C ATOM 531 CD1 TYR A 37 18.972 -16.402 26.881 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.336 -17.361 24.730 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.879 -15.712 26.394 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.245 -16.674 24.234 1.00 0.00 C ATOM 535 CZ TYR A 37 17.520 -15.850 25.069 1.00 0.00 C ATOM 536 OH TYR A 37 16.432 -15.165 24.579 1.00 0.00 O ATOM 0 H TYR A 37 22.622 -16.876 24.980 1.00 0.00 H new ATOM 0 HA TYR A 37 21.742 -16.375 27.747 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.255 -18.701 25.844 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.605 -18.573 27.467 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.251 -16.290 27.918 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.901 -18.006 24.073 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.309 -15.068 27.047 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.961 -16.782 23.198 1.00 0.00 H new ATOM 0 HH TYR A 37 16.239 -15.467 23.667 1.00 0.00 H new ATOM 546 N ARG A 38 24.440 -17.457 27.415 1.00 0.00 N ATOM 547 CA ARG A 38 25.605 -18.162 27.936 1.00 0.00 C ATOM 548 C ARG A 38 25.674 -18.049 29.456 1.00 0.00 C ATOM 549 O ARG A 38 26.247 -18.908 30.127 1.00 0.00 O ATOM 550 CB ARG A 38 26.886 -17.602 27.314 1.00 0.00 C ATOM 551 CG ARG A 38 27.183 -16.167 27.717 1.00 0.00 C ATOM 552 CD ARG A 38 28.620 -15.785 27.399 1.00 0.00 C ATOM 553 NE ARG A 38 28.740 -15.154 26.088 1.00 0.00 N ATOM 554 CZ ARG A 38 28.472 -13.873 25.861 1.00 0.00 C ATOM 555 NH1 ARG A 38 28.070 -13.090 26.853 1.00 0.00 N ATOM 556 NH2 ARG A 38 28.606 -13.371 24.640 1.00 0.00 N ATOM 0 H ARG A 38 24.657 -16.595 26.915 1.00 0.00 H new ATOM 0 HA ARG A 38 25.510 -19.215 27.671 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.726 -18.233 27.604 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.806 -17.656 26.228 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.503 -15.493 27.196 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.000 -16.042 28.784 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.992 -15.104 28.165 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.248 -16.675 27.432 1.00 0.00 H new ATOM 0 HE ARG A 38 29.047 -15.729 25.303 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.966 -13.471 27.793 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.865 -12.107 26.676 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.915 -13.969 23.874 1.00 0.00 H new ATOM 0 HH22 ARG A 38 28.400 -12.387 24.468 1.00 0.00 H new ATOM 570 N ASP A 39 25.088 -16.985 29.992 1.00 0.00 N ATOM 571 CA ASP A 39 25.081 -16.760 31.433 1.00 0.00 C ATOM 572 C ASP A 39 23.892 -17.456 32.087 1.00 0.00 C ATOM 573 O ASP A 39 23.973 -17.904 33.230 1.00 0.00 O ATOM 574 CB ASP A 39 25.042 -15.261 31.737 1.00 0.00 C ATOM 575 CG ASP A 39 26.423 -14.679 31.962 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.011 -14.943 33.033 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.917 -13.962 31.068 1.00 0.00 O ATOM 0 H ASP A 39 24.611 -16.264 29.450 1.00 0.00 H new ATOM 0 HA ASP A 39 25.997 -17.182 31.846 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.561 -14.738 30.910 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.430 -15.089 32.622 1.00 0.00 H new ATOM 582 N SER A 40 22.786 -17.540 31.354 1.00 0.00 N ATOM 583 CA SER A 40 21.577 -18.177 31.864 1.00 0.00 C ATOM 584 C SER A 40 21.862 -19.611 32.300 1.00 0.00 C ATOM 585 O SER A 40 21.453 -20.036 33.381 1.00 0.00 O ATOM 586 CB SER A 40 20.480 -18.164 30.798 1.00 0.00 C ATOM 587 OG SER A 40 19.215 -17.883 31.371 1.00 0.00 O ATOM 0 H SER A 40 22.702 -17.175 30.405 1.00 0.00 H new ATOM 0 HA SER A 40 21.236 -17.613 32.732 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.714 -17.416 30.040 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.448 -19.130 30.293 1.00 0.00 H new ATOM 0 HG SER A 40 18.531 -17.879 30.669 1.00 0.00 H new ATOM 593 N PHE A 41 22.565 -20.353 31.451 1.00 0.00 N ATOM 594 CA PHE A 41 22.904 -21.740 31.747 1.00 0.00 C ATOM 595 C PHE A 41 24.024 -21.818 32.780 1.00 0.00 C ATOM 596 O PHE A 41 23.979 -22.636 33.700 1.00 0.00 O ATOM 597 CB PHE A 41 23.324 -22.468 30.468 1.00 0.00 C ATOM 598 CG PHE A 41 22.185 -22.725 29.523 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.227 -23.682 29.815 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.072 -22.007 28.343 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.179 -23.921 28.946 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.025 -22.241 27.471 1.00 0.00 C ATOM 603 CZ PHE A 41 20.077 -23.198 27.773 1.00 0.00 C ATOM 0 H PHE A 41 22.911 -20.017 30.552 1.00 0.00 H new ATOM 0 HA PHE A 41 22.019 -22.224 32.159 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.084 -21.878 29.956 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.785 -23.419 30.735 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.300 -24.248 30.732 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.810 -21.256 28.102 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.440 -24.672 29.184 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.949 -21.675 26.554 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.257 -23.381 27.094 1.00 0.00 H new ATOM 613 N LEU A 42 25.027 -20.962 32.622 1.00 0.00 N ATOM 614 CA LEU A 42 26.160 -20.932 33.541 1.00 0.00 C ATOM 615 C LEU A 42 25.690 -20.732 34.979 1.00 0.00 C ATOM 616 O LEU A 42 25.887 -21.596 35.834 1.00 0.00 O ATOM 617 CB LEU A 42 27.131 -19.817 33.150 1.00 0.00 C ATOM 618 CG LEU A 42 28.130 -20.155 32.043 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.792 -18.890 31.518 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.176 -21.136 32.550 1.00 0.00 C ATOM 0 H LEU A 42 25.079 -20.279 31.866 1.00 0.00 H new ATOM 0 HA LEU A 42 26.674 -21.891 33.476 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.550 -18.950 32.835 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.690 -19.521 34.038 1.00 0.00 H new ATOM 0 HG LEU A 42 27.589 -20.625 31.222 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.500 -19.150 30.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.031 -18.221 31.116 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.320 -18.391 32.331 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.879 -21.365 31.749 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.714 -20.693 33.389 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.686 -22.053 32.877 1.00 0.00 H new ATOM 632 N THR A 43 25.065 -19.588 35.238 1.00 0.00 N ATOM 633 CA THR A 43 24.566 -19.274 36.570 1.00 0.00 C ATOM 634 C THR A 43 23.584 -20.335 37.054 1.00 0.00 C ATOM 635 O THR A 43 23.483 -20.602 38.251 1.00 0.00 O ATOM 636 CB THR A 43 23.874 -17.898 36.602 1.00 0.00 C ATOM 637 OG1 THR A 43 23.581 -17.528 37.954 1.00 0.00 O ATOM 638 CG2 THR A 43 22.589 -17.920 35.787 1.00 0.00 C ATOM 0 H THR A 43 24.892 -18.863 34.542 1.00 0.00 H new ATOM 0 HA THR A 43 25.431 -19.253 37.234 1.00 0.00 H new ATOM 0 HB THR A 43 24.551 -17.165 36.164 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.143 -16.652 37.966 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.118 -16.938 35.824 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.819 -18.173 34.752 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.909 -18.665 36.200 1.00 0.00 H new ATOM 646 N ALA A 44 22.862 -20.938 36.115 1.00 0.00 N ATOM 647 CA ALA A 44 21.890 -21.973 36.445 1.00 0.00 C ATOM 648 C ALA A 44 22.581 -23.231 36.961 1.00 0.00 C ATOM 649 O ALA A 44 21.963 -24.063 37.624 1.00 0.00 O ATOM 650 CB ALA A 44 21.034 -22.300 35.231 1.00 0.00 C ATOM 0 H ALA A 44 22.932 -20.727 35.119 1.00 0.00 H new ATOM 0 HA ALA A 44 21.246 -21.592 37.238 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.313 -23.074 35.492 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.504 -21.404 34.908 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.671 -22.656 34.422 1.00 0.00 H new ATOM 656 N GLY A 45 23.868 -23.363 36.652 1.00 0.00 N ATOM 657 CA GLY A 45 24.621 -24.523 37.092 1.00 0.00 C ATOM 658 C GLY A 45 25.043 -25.412 35.939 1.00 0.00 C ATOM 659 O GLY A 45 25.938 -26.245 36.083 1.00 0.00 O ATOM 0 H GLY A 45 24.402 -22.688 36.105 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.507 -24.193 37.635 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.016 -25.101 37.790 1.00 0.00 H new ATOM 663 N PHE A 46 24.396 -25.237 34.791 1.00 0.00 N ATOM 664 CA PHE A 46 24.707 -26.032 33.609 1.00 0.00 C ATOM 665 C PHE A 46 25.943 -25.490 32.899 1.00 0.00 C ATOM 666 O PHE A 46 25.839 -24.695 31.964 1.00 0.00 O ATOM 667 CB PHE A 46 23.516 -26.043 32.648 1.00 0.00 C ATOM 668 CG PHE A 46 22.202 -26.311 33.324 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.973 -27.515 33.971 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.196 -25.358 33.314 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.765 -27.764 34.593 1.00 0.00 C ATOM 672 CE2 PHE A 46 19.986 -25.602 33.936 1.00 0.00 C ATOM 673 CZ PHE A 46 19.770 -26.806 34.577 1.00 0.00 C ATOM 0 H PHE A 46 23.653 -24.552 34.655 1.00 0.00 H new ATOM 0 HA PHE A 46 24.914 -27.052 33.932 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.463 -25.082 32.137 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.683 -26.802 31.883 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.748 -28.267 33.989 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.359 -24.414 32.815 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.599 -28.707 35.092 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.210 -24.851 33.921 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.826 -26.998 35.064 1.00 0.00 H new ATOM 683 N THR A 47 27.116 -25.925 33.349 1.00 0.00 N ATOM 684 CA THR A 47 28.373 -25.483 32.759 1.00 0.00 C ATOM 685 C THR A 47 28.831 -26.437 31.662 1.00 0.00 C ATOM 686 O THR A 47 29.544 -26.041 30.740 1.00 0.00 O ATOM 687 CB THR A 47 29.483 -25.370 33.822 1.00 0.00 C ATOM 688 OG1 THR A 47 29.622 -26.612 34.520 1.00 0.00 O ATOM 689 CG2 THR A 47 29.173 -24.257 34.812 1.00 0.00 C ATOM 0 H THR A 47 27.221 -26.584 34.121 1.00 0.00 H new ATOM 0 HA THR A 47 28.191 -24.499 32.328 1.00 0.00 H new ATOM 0 HB THR A 47 30.418 -25.133 33.315 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.331 -26.532 35.192 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.970 -24.196 35.553 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.098 -23.308 34.281 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.228 -24.468 35.313 1.00 0.00 H new ATOM 697 N SER A 48 28.417 -27.696 31.768 1.00 0.00 N ATOM 698 CA SER A 48 28.788 -28.707 30.785 1.00 0.00 C ATOM 699 C SER A 48 27.567 -29.174 29.999 1.00 0.00 C ATOM 700 O SER A 48 26.512 -29.450 30.573 1.00 0.00 O ATOM 701 CB SER A 48 29.450 -29.901 31.476 1.00 0.00 C ATOM 702 OG SER A 48 30.798 -29.614 31.810 1.00 0.00 O ATOM 0 H SER A 48 27.825 -28.040 32.524 1.00 0.00 H new ATOM 0 HA SER A 48 29.497 -28.259 30.089 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.895 -30.157 32.379 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.412 -30.771 30.821 1.00 0.00 H new ATOM 0 HG SER A 48 31.198 -30.392 32.252 1.00 0.00 H new ATOM 708 N LEU A 49 27.717 -29.260 28.682 1.00 0.00 N ATOM 709 CA LEU A 49 26.627 -29.693 27.814 1.00 0.00 C ATOM 710 C LEU A 49 26.059 -31.030 28.280 1.00 0.00 C ATOM 711 O LEU A 49 24.881 -31.320 28.072 1.00 0.00 O ATOM 712 CB LEU A 49 27.115 -29.809 26.369 1.00 0.00 C ATOM 713 CG LEU A 49 27.186 -28.502 25.578 1.00 0.00 C ATOM 714 CD1 LEU A 49 25.817 -27.843 25.512 1.00 0.00 C ATOM 715 CD2 LEU A 49 28.205 -27.558 26.198 1.00 0.00 C ATOM 0 H LEU A 49 28.583 -29.036 28.191 1.00 0.00 H new ATOM 0 HA LEU A 49 25.836 -28.945 27.865 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.107 -30.260 26.377 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.456 -30.496 25.838 1.00 0.00 H new ATOM 0 HG LEU A 49 27.505 -28.732 24.561 1.00 0.00 H new ATOM 0 HD11 LEU A 49 25.887 -26.914 24.945 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.113 -28.515 25.021 1.00 0.00 H new ATOM 0 HD13 LEU A 49 25.468 -27.626 26.522 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.242 -26.633 25.622 1.00 0.00 H new ATOM 0 HD22 LEU A 49 27.916 -27.334 27.225 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.188 -28.029 26.192 1.00 0.00 H new ATOM 727 N GLN A 50 26.904 -31.838 28.912 1.00 0.00 N ATOM 728 CA GLN A 50 26.485 -33.144 29.408 1.00 0.00 C ATOM 729 C GLN A 50 25.236 -33.021 30.275 1.00 0.00 C ATOM 730 O GLN A 50 24.422 -33.943 30.344 1.00 0.00 O ATOM 731 CB GLN A 50 27.614 -33.795 30.209 1.00 0.00 C ATOM 732 CG GLN A 50 27.236 -35.138 30.811 1.00 0.00 C ATOM 733 CD GLN A 50 27.252 -35.124 32.327 1.00 0.00 C ATOM 734 OE1 GLN A 50 26.262 -35.468 32.973 1.00 0.00 O ATOM 735 NE2 GLN A 50 28.380 -34.724 32.903 1.00 0.00 N ATOM 0 H GLN A 50 27.882 -31.612 29.093 1.00 0.00 H new ATOM 0 HA GLN A 50 26.249 -33.773 28.549 1.00 0.00 H new ATOM 0 HB2 GLN A 50 28.479 -33.928 29.560 1.00 0.00 H new ATOM 0 HB3 GLN A 50 27.917 -33.120 31.009 1.00 0.00 H new ATOM 0 HG2 GLN A 50 26.242 -35.420 30.465 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.927 -35.900 30.451 1.00 0.00 H new ATOM 0 HE21 GLN A 50 29.176 -34.448 32.328 1.00 0.00 H new ATOM 0 HE22 GLN A 50 28.450 -34.693 33.920 1.00 0.00 H new ATOM 744 N LEU A 51 25.090 -31.878 30.935 1.00 0.00 N ATOM 745 CA LEU A 51 23.939 -31.634 31.798 1.00 0.00 C ATOM 746 C LEU A 51 22.797 -30.994 31.016 1.00 0.00 C ATOM 747 O LEU A 51 21.629 -31.131 31.378 1.00 0.00 O ATOM 748 CB LEU A 51 24.338 -30.735 32.970 1.00 0.00 C ATOM 749 CG LEU A 51 25.373 -31.311 33.937 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.644 -30.336 35.072 1.00 0.00 C ATOM 751 CD2 LEU A 51 24.904 -32.652 34.483 1.00 0.00 C ATOM 0 H LEU A 51 25.754 -31.105 30.889 1.00 0.00 H new ATOM 0 HA LEU A 51 23.596 -32.594 32.184 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.727 -29.800 32.568 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.439 -30.489 33.536 1.00 0.00 H new ATOM 0 HG LEU A 51 26.304 -31.469 33.392 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.383 -30.763 35.750 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.024 -29.399 34.664 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.719 -30.146 35.617 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.653 -33.047 35.169 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.960 -32.519 35.012 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.762 -33.351 33.659 1.00 0.00 H new ATOM 763 N VAL A 52 23.143 -30.294 29.940 1.00 0.00 N ATOM 764 CA VAL A 52 22.147 -29.635 29.104 1.00 0.00 C ATOM 765 C VAL A 52 21.437 -30.638 28.201 1.00 0.00 C ATOM 766 O VAL A 52 20.286 -30.434 27.812 1.00 0.00 O ATOM 767 CB VAL A 52 22.784 -28.537 28.232 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.735 -27.883 27.345 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.478 -27.501 29.103 1.00 0.00 C ATOM 0 H VAL A 52 24.106 -30.169 29.627 1.00 0.00 H new ATOM 0 HA VAL A 52 21.421 -29.179 29.777 1.00 0.00 H new ATOM 0 HB VAL A 52 23.533 -28.998 27.588 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.204 -27.110 26.736 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.288 -28.635 26.695 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.961 -27.435 27.967 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.923 -26.733 28.470 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.751 -27.043 29.773 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.259 -27.984 29.690 1.00 0.00 H new ATOM 779 N THR A 53 22.130 -31.723 27.870 1.00 0.00 N ATOM 780 CA THR A 53 21.567 -32.758 27.013 1.00 0.00 C ATOM 781 C THR A 53 20.357 -33.415 27.666 1.00 0.00 C ATOM 782 O THR A 53 19.489 -33.956 26.982 1.00 0.00 O ATOM 783 CB THR A 53 22.610 -33.842 26.682 1.00 0.00 C ATOM 784 OG1 THR A 53 23.087 -34.448 27.888 1.00 0.00 O ATOM 785 CG2 THR A 53 23.779 -33.250 25.908 1.00 0.00 C ATOM 0 H THR A 53 23.083 -31.907 28.183 1.00 0.00 H new ATOM 0 HA THR A 53 21.257 -32.269 26.090 1.00 0.00 H new ATOM 0 HB THR A 53 22.130 -34.599 26.061 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.622 -33.799 28.391 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.503 -34.034 25.686 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.416 -32.816 24.976 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.257 -32.475 26.507 1.00 0.00 H new ATOM 793 N GLN A 54 20.306 -33.364 28.993 1.00 0.00 N ATOM 794 CA GLN A 54 19.201 -33.956 29.739 1.00 0.00 C ATOM 795 C GLN A 54 18.215 -32.884 30.192 1.00 0.00 C ATOM 796 O GLN A 54 17.507 -33.058 31.183 1.00 0.00 O ATOM 797 CB GLN A 54 19.730 -34.725 30.950 1.00 0.00 C ATOM 798 CG GLN A 54 20.917 -35.620 30.633 1.00 0.00 C ATOM 799 CD GLN A 54 21.241 -36.581 31.759 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.363 -36.971 32.530 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.507 -36.970 31.860 1.00 0.00 N ATOM 0 H GLN A 54 21.017 -32.919 29.574 1.00 0.00 H new ATOM 0 HA GLN A 54 18.679 -34.648 29.079 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.019 -34.013 31.724 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.926 -35.335 31.362 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.708 -36.187 29.726 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.790 -35.000 30.427 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.202 -36.622 31.199 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.784 -37.617 32.598 1.00 0.00 H new ATOM 810 N MET A 55 18.175 -31.776 29.460 1.00 0.00 N ATOM 811 CA MET A 55 17.275 -30.676 29.787 1.00 0.00 C ATOM 812 C MET A 55 16.066 -30.668 28.857 1.00 0.00 C ATOM 813 O MET A 55 15.909 -31.556 28.018 1.00 0.00 O ATOM 814 CB MET A 55 18.013 -29.339 29.694 1.00 0.00 C ATOM 815 CG MET A 55 19.039 -29.133 30.797 1.00 0.00 C ATOM 816 SD MET A 55 18.284 -28.982 32.428 1.00 0.00 S ATOM 817 CE MET A 55 18.455 -30.657 33.037 1.00 0.00 C ATOM 0 H MET A 55 18.755 -31.616 28.636 1.00 0.00 H new ATOM 0 HA MET A 55 16.924 -30.819 30.809 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.513 -29.276 28.728 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.285 -28.528 29.730 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.737 -29.970 30.800 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.619 -28.235 30.585 1.00 0.00 H new ATOM 0 HE1 MET A 55 17.478 -31.141 33.050 1.00 0.00 H new ATOM 0 HE2 MET A 55 19.127 -31.215 32.385 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.864 -30.637 34.047 1.00 0.00 H new ATOM 827 N THR A 56 15.213 -29.660 29.010 1.00 0.00 N ATOM 828 CA THR A 56 14.018 -29.537 28.185 1.00 0.00 C ATOM 829 C THR A 56 13.583 -28.082 28.061 1.00 0.00 C ATOM 830 O THR A 56 14.151 -27.197 28.701 1.00 0.00 O ATOM 831 CB THR A 56 12.852 -30.363 28.760 1.00 0.00 C ATOM 832 OG1 THR A 56 11.770 -30.402 27.822 1.00 0.00 O ATOM 833 CG2 THR A 56 12.368 -29.773 30.076 1.00 0.00 C ATOM 0 H THR A 56 15.328 -28.916 29.699 1.00 0.00 H new ATOM 0 HA THR A 56 14.274 -29.922 27.198 1.00 0.00 H new ATOM 0 HB THR A 56 13.209 -31.376 28.944 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.033 -30.930 28.194 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.544 -30.373 30.463 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.186 -29.772 30.797 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.027 -28.751 29.913 1.00 0.00 H new ATOM 841 N SER A 57 12.571 -27.840 27.233 1.00 0.00 N ATOM 842 CA SER A 57 12.061 -26.491 27.023 1.00 0.00 C ATOM 843 C SER A 57 11.740 -25.817 28.354 1.00 0.00 C ATOM 844 O SER A 57 12.043 -24.642 28.556 1.00 0.00 O ATOM 845 CB SER A 57 10.810 -26.527 26.142 1.00 0.00 C ATOM 846 OG SER A 57 10.668 -27.786 25.509 1.00 0.00 O ATOM 0 H SER A 57 12.089 -28.561 26.697 1.00 0.00 H new ATOM 0 HA SER A 57 12.835 -25.911 26.520 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.928 -26.320 26.748 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.870 -25.742 25.388 1.00 0.00 H new ATOM 0 HG SER A 57 9.861 -27.784 24.954 1.00 0.00 H new ATOM 852 N GLU A 58 11.125 -26.572 29.259 1.00 0.00 N ATOM 853 CA GLU A 58 10.762 -26.048 30.570 1.00 0.00 C ATOM 854 C GLU A 58 11.990 -25.513 31.301 1.00 0.00 C ATOM 855 O GLU A 58 11.963 -24.418 31.863 1.00 0.00 O ATOM 856 CB GLU A 58 10.089 -27.136 31.410 1.00 0.00 C ATOM 857 CG GLU A 58 8.859 -27.739 30.753 1.00 0.00 C ATOM 858 CD GLU A 58 7.888 -28.326 31.759 1.00 0.00 C ATOM 859 OE1 GLU A 58 7.301 -27.547 32.540 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.716 -29.563 31.767 1.00 0.00 O ATOM 0 H GLU A 58 10.868 -27.548 29.108 1.00 0.00 H new ATOM 0 HA GLU A 58 10.061 -25.226 30.423 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.810 -27.929 31.608 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.806 -26.715 32.375 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.351 -26.972 30.169 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.169 -28.518 30.056 1.00 0.00 H new ATOM 867 N ASP A 59 13.065 -26.293 31.289 1.00 0.00 N ATOM 868 CA ASP A 59 14.303 -25.899 31.950 1.00 0.00 C ATOM 869 C ASP A 59 14.779 -24.540 31.446 1.00 0.00 C ATOM 870 O ASP A 59 15.444 -23.796 32.168 1.00 0.00 O ATOM 871 CB ASP A 59 15.388 -26.951 31.717 1.00 0.00 C ATOM 872 CG ASP A 59 15.060 -28.276 32.377 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.584 -28.263 33.531 1.00 0.00 O ATOM 874 OD2 ASP A 59 15.279 -29.327 31.738 1.00 0.00 O ATOM 0 H ASP A 59 13.104 -27.202 30.828 1.00 0.00 H new ATOM 0 HA ASP A 59 14.106 -25.822 33.019 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.518 -27.104 30.646 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.338 -26.581 32.103 1.00 0.00 H new ATOM 879 N LEU A 60 14.435 -24.223 30.202 1.00 0.00 N ATOM 880 CA LEU A 60 14.828 -22.953 29.600 1.00 0.00 C ATOM 881 C LEU A 60 14.105 -21.787 30.268 1.00 0.00 C ATOM 882 O LEU A 60 14.680 -20.715 30.460 1.00 0.00 O ATOM 883 CB LEU A 60 14.527 -22.963 28.100 1.00 0.00 C ATOM 884 CG LEU A 60 14.821 -24.271 27.365 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.578 -24.111 25.873 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.250 -24.721 27.630 1.00 0.00 C ATOM 0 H LEU A 60 13.885 -24.827 29.591 1.00 0.00 H new ATOM 0 HA LEU A 60 15.900 -22.824 29.748 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.474 -22.719 27.960 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.104 -22.167 27.629 1.00 0.00 H new ATOM 0 HG LEU A 60 14.144 -25.038 27.742 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.792 -25.052 25.366 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.537 -23.835 25.701 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.230 -23.331 25.480 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.442 -25.653 27.099 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.943 -23.955 27.281 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.390 -24.877 28.700 1.00 0.00 H new ATOM 898 N LEU A 61 12.843 -22.004 30.621 1.00 0.00 N ATOM 899 CA LEU A 61 12.042 -20.972 31.270 1.00 0.00 C ATOM 900 C LEU A 61 12.442 -20.812 32.733 1.00 0.00 C ATOM 901 O LEU A 61 12.154 -19.791 33.357 1.00 0.00 O ATOM 902 CB LEU A 61 10.555 -21.316 31.171 1.00 0.00 C ATOM 903 CG LEU A 61 9.768 -20.584 30.083 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.404 -21.537 28.955 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.517 -19.945 30.668 1.00 0.00 C ATOM 0 H LEU A 61 12.352 -22.885 30.469 1.00 0.00 H new ATOM 0 HA LEU A 61 12.225 -20.028 30.757 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.461 -22.388 31.000 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.089 -21.105 32.133 1.00 0.00 H new ATOM 0 HG LEU A 61 10.398 -19.794 29.675 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.844 -20.999 28.190 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.314 -21.947 28.517 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.792 -22.349 29.348 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.970 -19.429 29.880 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.883 -20.718 31.104 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.801 -19.230 31.441 1.00 0.00 H new ATOM 917 N ARG A 62 13.109 -21.827 33.273 1.00 0.00 N ATOM 918 CA ARG A 62 13.550 -21.798 34.663 1.00 0.00 C ATOM 919 C ARG A 62 14.769 -20.895 34.828 1.00 0.00 C ATOM 920 O ARG A 62 14.890 -20.174 35.819 1.00 0.00 O ATOM 921 CB ARG A 62 13.880 -23.212 35.145 1.00 0.00 C ATOM 922 CG ARG A 62 12.706 -24.173 35.063 1.00 0.00 C ATOM 923 CD ARG A 62 12.558 -24.982 36.342 1.00 0.00 C ATOM 924 NE ARG A 62 11.771 -24.275 37.349 1.00 0.00 N ATOM 925 CZ ARG A 62 10.468 -24.045 37.235 1.00 0.00 C ATOM 926 NH1 ARG A 62 9.808 -24.464 36.164 1.00 0.00 N ATOM 927 NH2 ARG A 62 9.822 -23.394 38.194 1.00 0.00 N ATOM 0 H ARG A 62 13.356 -22.679 32.770 1.00 0.00 H new ATOM 0 HA ARG A 62 12.737 -21.396 35.268 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.704 -23.606 34.550 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.227 -23.163 36.177 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.789 -23.614 34.877 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.845 -24.848 34.218 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.082 -25.936 36.114 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.545 -25.206 36.745 1.00 0.00 H new ATOM 0 HE ARG A 62 12.248 -23.940 38.186 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.301 -24.965 35.425 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.807 -24.286 36.080 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.326 -23.070 39.019 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.821 -23.218 38.106 1.00 0.00 H new ATOM 941 N ILE A 63 15.669 -20.941 33.852 1.00 0.00 N ATOM 942 CA ILE A 63 16.878 -20.127 33.889 1.00 0.00 C ATOM 943 C ILE A 63 16.591 -18.696 33.447 1.00 0.00 C ATOM 944 O ILE A 63 17.273 -17.759 33.859 1.00 0.00 O ATOM 945 CB ILE A 63 17.982 -20.717 32.993 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.546 -20.693 31.526 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.315 -22.136 33.428 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.614 -21.178 30.570 1.00 0.00 C ATOM 0 H ILE A 63 15.584 -21.533 33.026 1.00 0.00 H new ATOM 0 HA ILE A 63 17.224 -20.123 34.923 1.00 0.00 H new ATOM 0 HB ILE A 63 18.879 -20.106 33.097 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.657 -21.313 31.409 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.263 -19.676 31.256 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.097 -22.540 32.785 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.663 -22.128 34.461 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.424 -22.759 33.350 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.236 -21.134 29.549 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.496 -20.544 30.658 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.881 -22.206 30.814 1.00 0.00 H new ATOM 960 N GLY A 64 15.573 -18.535 32.607 1.00 0.00 N ATOM 961 CA GLY A 64 15.212 -17.215 32.124 1.00 0.00 C ATOM 962 C GLY A 64 14.689 -17.240 30.701 1.00 0.00 C ATOM 963 O GLY A 64 13.774 -16.491 30.355 1.00 0.00 O ATOM 0 H GLY A 64 14.992 -19.295 32.253 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.453 -16.787 32.779 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.083 -16.562 32.176 1.00 0.00 H new ATOM 967 N ILE A 65 15.270 -18.103 29.875 1.00 0.00 N ATOM 968 CA ILE A 65 14.857 -18.222 28.482 1.00 0.00 C ATOM 969 C ILE A 65 13.350 -18.430 28.371 1.00 0.00 C ATOM 970 O ILE A 65 12.844 -19.529 28.603 1.00 0.00 O ATOM 971 CB ILE A 65 15.578 -19.388 27.779 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.094 -19.192 27.843 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.113 -19.504 26.335 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.879 -20.449 27.543 1.00 0.00 C ATOM 0 H ILE A 65 16.028 -18.730 30.146 1.00 0.00 H new ATOM 0 HA ILE A 65 15.129 -17.288 27.991 1.00 0.00 H new ATOM 0 HB ILE A 65 15.329 -20.315 28.296 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.382 -18.416 27.134 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.364 -18.833 28.836 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.631 -20.332 25.851 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.038 -19.685 26.312 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.336 -18.578 25.805 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.946 -20.235 27.607 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.620 -21.221 28.267 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.638 -20.798 26.539 1.00 0.00 H new ATOM 986 N THR A 66 12.637 -17.367 28.013 1.00 0.00 N ATOM 987 CA THR A 66 11.188 -17.432 27.870 1.00 0.00 C ATOM 988 C THR A 66 10.751 -16.981 26.481 1.00 0.00 C ATOM 989 O THR A 66 9.731 -16.307 26.328 1.00 0.00 O ATOM 990 CB THR A 66 10.480 -16.562 28.926 1.00 0.00 C ATOM 991 OG1 THR A 66 10.917 -15.203 28.815 1.00 0.00 O ATOM 992 CG2 THR A 66 10.762 -17.078 30.329 1.00 0.00 C ATOM 0 H THR A 66 13.040 -16.451 27.817 1.00 0.00 H new ATOM 0 HA THR A 66 10.903 -18.474 28.017 1.00 0.00 H new ATOM 0 HB THR A 66 9.406 -16.613 28.746 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.461 -14.657 29.489 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.252 -16.448 31.058 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.401 -18.103 30.419 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.835 -17.054 30.517 1.00 0.00 H new ATOM 1000 N LEU A 67 11.529 -17.355 25.471 1.00 0.00 N ATOM 1001 CA LEU A 67 11.222 -16.989 24.093 1.00 0.00 C ATOM 1002 C LEU A 67 10.958 -18.230 23.245 1.00 0.00 C ATOM 1003 O LEU A 67 11.885 -18.951 22.878 1.00 0.00 O ATOM 1004 CB LEU A 67 12.373 -16.181 23.490 1.00 0.00 C ATOM 1005 CG LEU A 67 12.269 -14.662 23.625 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.450 -14.114 24.410 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.189 -14.009 22.252 1.00 0.00 C ATOM 0 H LEU A 67 12.377 -17.911 25.581 1.00 0.00 H new ATOM 0 HA LEU A 67 10.320 -16.377 24.099 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.302 -16.505 23.959 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.448 -16.427 22.431 1.00 0.00 H new ATOM 0 HG LEU A 67 11.356 -14.426 24.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.359 -13.031 24.496 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.462 -14.557 25.406 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.377 -14.360 23.892 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.115 -12.928 22.367 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.084 -14.253 21.680 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.310 -14.378 21.724 1.00 0.00 H new ATOM 1019 N ALA A 68 9.688 -18.471 22.938 1.00 0.00 N ATOM 1020 CA ALA A 68 9.302 -19.622 22.130 1.00 0.00 C ATOM 1021 C ALA A 68 10.066 -19.646 20.810 1.00 0.00 C ATOM 1022 O ALA A 68 10.399 -20.713 20.295 1.00 0.00 O ATOM 1023 CB ALA A 68 7.803 -19.609 21.875 1.00 0.00 C ATOM 0 H ALA A 68 8.908 -17.885 23.236 1.00 0.00 H new ATOM 0 HA ALA A 68 9.557 -20.526 22.684 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.529 -20.474 21.271 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.272 -19.648 22.826 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.532 -18.696 21.345 1.00 0.00 H new ATOM 1029 N GLY A 69 10.339 -18.464 20.267 1.00 0.00 N ATOM 1030 CA GLY A 69 11.060 -18.373 19.011 1.00 0.00 C ATOM 1031 C GLY A 69 12.529 -18.715 19.160 1.00 0.00 C ATOM 1032 O GLY A 69 13.197 -19.056 18.183 1.00 0.00 O ATOM 0 H GLY A 69 10.074 -17.567 20.675 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.605 -19.047 18.285 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.964 -17.363 18.613 1.00 0.00 H new ATOM 1036 N HIS A 70 13.036 -18.622 20.386 1.00 0.00 N ATOM 1037 CA HIS A 70 14.436 -18.924 20.659 1.00 0.00 C ATOM 1038 C HIS A 70 14.603 -20.373 21.105 1.00 0.00 C ATOM 1039 O HIS A 70 15.540 -21.055 20.690 1.00 0.00 O ATOM 1040 CB HIS A 70 14.983 -17.982 21.732 1.00 0.00 C ATOM 1041 CG HIS A 70 15.314 -16.615 21.217 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.314 -15.490 22.014 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.659 -16.196 19.977 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.643 -14.437 21.286 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.858 -14.839 20.046 1.00 0.00 N ATOM 0 H HIS A 70 12.498 -18.340 21.205 1.00 0.00 H new ATOM 0 HA HIS A 70 14.999 -18.779 19.737 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.249 -17.892 22.533 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.879 -18.423 22.169 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.759 -16.814 19.097 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.723 -13.421 21.644 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.128 -14.239 19.267 1.00 0.00 H new ATOM 1053 N GLN A 71 13.689 -20.836 21.952 1.00 0.00 N ATOM 1054 CA GLN A 71 13.737 -22.204 22.454 1.00 0.00 C ATOM 1055 C GLN A 71 13.664 -23.208 21.309 1.00 0.00 C ATOM 1056 O GLN A 71 14.205 -24.310 21.399 1.00 0.00 O ATOM 1057 CB GLN A 71 12.591 -22.449 23.437 1.00 0.00 C ATOM 1058 CG GLN A 71 12.596 -21.502 24.626 1.00 0.00 C ATOM 1059 CD GLN A 71 11.230 -21.366 25.270 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.252 -21.957 24.810 1.00 0.00 O ATOM 1061 NE2 GLN A 71 11.155 -20.585 26.341 1.00 0.00 N ATOM 0 H GLN A 71 12.907 -20.284 22.305 1.00 0.00 H new ATOM 0 HA GLN A 71 14.686 -22.341 22.972 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.643 -22.350 22.909 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.648 -23.475 23.800 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.309 -21.861 25.368 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.940 -20.520 24.302 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.991 -20.114 26.688 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.262 -20.456 26.816 1.00 0.00 H new ATOM 1070 N LYS A 72 12.991 -22.820 20.231 1.00 0.00 N ATOM 1071 CA LYS A 72 12.847 -23.684 19.066 1.00 0.00 C ATOM 1072 C LYS A 72 14.211 -24.096 18.521 1.00 0.00 C ATOM 1073 O LYS A 72 14.373 -25.193 17.988 1.00 0.00 O ATOM 1074 CB LYS A 72 12.043 -22.974 17.974 1.00 0.00 C ATOM 1075 CG LYS A 72 10.828 -23.756 17.507 1.00 0.00 C ATOM 1076 CD LYS A 72 9.535 -23.037 17.852 1.00 0.00 C ATOM 1077 CE LYS A 72 9.297 -21.848 16.933 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.965 -21.224 17.168 1.00 0.00 N ATOM 0 H LYS A 72 12.536 -21.911 20.140 1.00 0.00 H new ATOM 0 HA LYS A 72 12.313 -24.582 19.376 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.718 -22.003 18.347 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.694 -22.786 17.120 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.884 -23.908 16.429 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.830 -24.743 17.969 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.699 -23.732 17.774 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.571 -22.697 18.887 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.079 -21.105 17.090 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.369 -22.171 15.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.841 -20.418 16.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.217 -21.926 16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.906 -20.892 18.152 1.00 0.00 H new ATOM 1092 N LYS A 73 15.191 -23.209 18.661 1.00 0.00 N ATOM 1093 CA LYS A 73 16.542 -23.480 18.186 1.00 0.00 C ATOM 1094 C LYS A 73 17.328 -24.289 19.214 1.00 0.00 C ATOM 1095 O LYS A 73 18.006 -25.257 18.868 1.00 0.00 O ATOM 1096 CB LYS A 73 17.273 -22.169 17.887 1.00 0.00 C ATOM 1097 CG LYS A 73 18.632 -22.364 17.238 1.00 0.00 C ATOM 1098 CD LYS A 73 18.986 -21.202 16.325 1.00 0.00 C ATOM 1099 CE LYS A 73 20.013 -21.608 15.280 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.870 -20.819 14.025 1.00 0.00 N ATOM 0 H LYS A 73 15.074 -22.296 19.100 1.00 0.00 H new ATOM 0 HA LYS A 73 16.467 -24.064 17.269 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.652 -21.558 17.233 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.400 -21.614 18.816 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.394 -22.466 18.011 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.633 -23.291 16.665 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.085 -20.839 15.830 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.377 -20.377 16.920 1.00 0.00 H new ATOM 0 HE2 LYS A 73 21.016 -21.469 15.684 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.903 -22.669 15.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.588 -21.126 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.922 -20.971 13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.000 -19.808 14.234 1.00 0.00 H new ATOM 1114 N ILE A 74 17.231 -23.886 20.476 1.00 0.00 N ATOM 1115 CA ILE A 74 17.930 -24.576 21.553 1.00 0.00 C ATOM 1116 C ILE A 74 17.532 -26.046 21.615 1.00 0.00 C ATOM 1117 O ILE A 74 18.372 -26.935 21.466 1.00 0.00 O ATOM 1118 CB ILE A 74 17.647 -23.921 22.918 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.069 -22.450 22.900 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.371 -24.672 24.026 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.624 -21.679 24.123 1.00 0.00 C ATOM 0 H ILE A 74 16.675 -23.086 20.778 1.00 0.00 H new ATOM 0 HA ILE A 74 18.996 -24.500 21.336 1.00 0.00 H new ATOM 0 HB ILE A 74 16.576 -23.970 23.113 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.155 -22.393 22.819 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.658 -21.973 22.010 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.161 -24.197 24.985 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.027 -25.706 24.050 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.444 -24.652 23.838 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.958 -20.644 24.042 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.537 -21.705 24.194 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.057 -22.131 25.015 1.00 0.00 H new ATOM 1133 N LEU A 75 16.246 -26.296 21.834 1.00 0.00 N ATOM 1134 CA LEU A 75 15.734 -27.660 21.913 1.00 0.00 C ATOM 1135 C LEU A 75 16.145 -28.468 20.686 1.00 0.00 C ATOM 1136 O LEU A 75 16.530 -29.631 20.798 1.00 0.00 O ATOM 1137 CB LEU A 75 14.210 -27.647 22.043 1.00 0.00 C ATOM 1138 CG LEU A 75 13.642 -26.823 23.199 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.137 -26.659 23.048 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.979 -27.472 24.533 1.00 0.00 C ATOM 0 H LEU A 75 15.538 -25.572 21.960 1.00 0.00 H new ATOM 0 HA LEU A 75 16.163 -28.133 22.796 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.789 -27.268 21.112 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.866 -28.675 22.153 1.00 0.00 H new ATOM 0 HG LEU A 75 14.099 -25.834 23.174 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.750 -26.070 23.880 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.919 -26.149 22.110 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.662 -27.640 23.047 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.567 -26.872 25.344 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.551 -28.474 24.569 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.062 -27.536 24.643 1.00 0.00 H new ATOM 1152 N ASN A 76 16.061 -27.842 19.517 1.00 0.00 N ATOM 1153 CA ASN A 76 16.426 -28.503 18.269 1.00 0.00 C ATOM 1154 C ASN A 76 17.851 -29.042 18.335 1.00 0.00 C ATOM 1155 O ASN A 76 18.195 -30.003 17.647 1.00 0.00 O ATOM 1156 CB ASN A 76 16.289 -27.531 17.095 1.00 0.00 C ATOM 1157 CG ASN A 76 15.087 -27.842 16.224 1.00 0.00 C ATOM 1158 OD1 ASN A 76 15.209 -27.986 15.007 1.00 0.00 O ATOM 1159 ND2 ASN A 76 13.918 -27.945 16.845 1.00 0.00 N ATOM 0 H ASN A 76 15.744 -26.879 19.407 1.00 0.00 H new ATOM 0 HA ASN A 76 15.747 -29.342 18.119 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.204 -26.514 17.477 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.194 -27.569 16.488 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.074 -28.151 16.311 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.864 -27.818 17.856 1.00 0.00 H new ATOM 1166 N SER A 77 18.677 -28.416 19.167 1.00 0.00 N ATOM 1167 CA SER A 77 20.067 -28.830 19.321 1.00 0.00 C ATOM 1168 C SER A 77 20.219 -29.797 20.491 1.00 0.00 C ATOM 1169 O SER A 77 20.823 -30.862 20.355 1.00 0.00 O ATOM 1170 CB SER A 77 20.964 -27.609 19.534 1.00 0.00 C ATOM 1171 OG SER A 77 22.333 -27.972 19.507 1.00 0.00 O ATOM 0 H SER A 77 18.408 -27.620 19.745 1.00 0.00 H new ATOM 0 HA SER A 77 20.372 -29.341 18.408 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.765 -26.868 18.759 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.727 -27.142 20.490 1.00 0.00 H new ATOM 0 HG SER A 77 22.781 -27.503 18.772 1.00 0.00 H new ATOM 1177 N ILE A 78 19.666 -29.420 21.639 1.00 0.00 N ATOM 1178 CA ILE A 78 19.739 -30.253 22.832 1.00 0.00 C ATOM 1179 C ILE A 78 19.241 -31.666 22.547 1.00 0.00 C ATOM 1180 O ILE A 78 19.746 -32.639 23.107 1.00 0.00 O ATOM 1181 CB ILE A 78 18.917 -29.655 23.988 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.415 -28.247 24.321 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.994 -30.553 25.214 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.644 -27.582 25.440 1.00 0.00 C ATOM 0 H ILE A 78 19.162 -28.542 21.768 1.00 0.00 H new ATOM 0 HA ILE A 78 20.788 -30.292 23.126 1.00 0.00 H new ATOM 0 HB ILE A 78 17.875 -29.588 23.676 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.468 -28.299 24.597 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.350 -27.627 23.427 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.408 -30.116 26.022 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.597 -31.538 24.969 1.00 0.00 H new ATOM 0 HG23 ILE A 78 20.033 -30.649 25.530 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.052 -26.588 25.622 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.594 -27.498 25.159 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.730 -28.181 26.347 1.00 0.00 H new ATOM 1196 N HIS A 79 18.247 -31.771 21.671 1.00 0.00 N ATOM 1197 CA HIS A 79 17.681 -33.066 21.308 1.00 0.00 C ATOM 1198 C HIS A 79 18.656 -33.864 20.449 1.00 0.00 C ATOM 1199 O HIS A 79 18.899 -35.044 20.701 1.00 0.00 O ATOM 1200 CB HIS A 79 16.360 -32.878 20.561 1.00 0.00 C ATOM 1201 CG HIS A 79 15.439 -34.054 20.667 1.00 0.00 C ATOM 1202 ND1 HIS A 79 14.132 -34.028 20.228 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.643 -35.296 21.164 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.571 -35.203 20.452 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.467 -35.991 21.019 1.00 0.00 N ATOM 0 H HIS A 79 17.817 -30.976 21.199 1.00 0.00 H new ATOM 0 HA HIS A 79 17.494 -33.623 22.226 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.854 -31.995 20.951 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.571 -32.686 19.509 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.560 -35.671 21.595 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.553 -35.473 20.212 1.00 0.00 H new ATOM 0 HE2 HIS A 79 14.311 -36.958 21.303 1.00 0.00 H new ATOM 1213 N SER A 80 19.212 -33.212 19.432 1.00 0.00 N ATOM 1214 CA SER A 80 20.158 -33.862 18.533 1.00 0.00 C ATOM 1215 C SER A 80 21.453 -34.206 19.262 1.00 0.00 C ATOM 1216 O SER A 80 22.164 -35.136 18.882 1.00 0.00 O ATOM 1217 CB SER A 80 20.458 -32.959 17.335 1.00 0.00 C ATOM 1218 OG SER A 80 19.465 -33.094 16.333 1.00 0.00 O ATOM 0 H SER A 80 19.023 -32.234 19.211 1.00 0.00 H new ATOM 0 HA SER A 80 19.706 -34.788 18.177 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.510 -31.921 17.662 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.434 -33.212 16.921 1.00 0.00 H new ATOM 0 HG SER A 80 19.679 -32.505 15.579 1.00 0.00 H new ATOM 1224 N MET A 81 21.752 -33.448 20.312 1.00 0.00 N ATOM 1225 CA MET A 81 22.961 -33.672 21.097 1.00 0.00 C ATOM 1226 C MET A 81 22.875 -34.988 21.863 1.00 0.00 C ATOM 1227 O MET A 81 23.722 -35.868 21.701 1.00 0.00 O ATOM 1228 CB MET A 81 23.185 -32.515 22.071 1.00 0.00 C ATOM 1229 CG MET A 81 24.361 -31.626 21.700 1.00 0.00 C ATOM 1230 SD MET A 81 25.028 -30.729 23.115 1.00 0.00 S ATOM 1231 CE MET A 81 23.836 -29.401 23.266 1.00 0.00 C ATOM 0 H MET A 81 21.174 -32.674 20.639 1.00 0.00 H new ATOM 0 HA MET A 81 23.805 -33.726 20.410 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.281 -31.908 22.115 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.347 -32.919 23.071 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.148 -32.237 21.258 1.00 0.00 H new ATOM 0 HG3 MET A 81 24.046 -30.913 20.938 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.345 -28.442 23.168 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.085 -29.495 22.481 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.351 -29.456 24.241 1.00 0.00 H new ATOM 1241 N ARG A 82 21.849 -35.116 22.697 1.00 0.00 N ATOM 1242 CA ARG A 82 21.654 -36.325 23.490 1.00 0.00 C ATOM 1243 C ARG A 82 21.607 -37.560 22.595 1.00 0.00 C ATOM 1244 O ARG A 82 22.198 -38.592 22.912 1.00 0.00 O ATOM 1245 CB ARG A 82 20.364 -36.223 24.305 1.00 0.00 C ATOM 1246 CG ARG A 82 19.146 -35.854 23.474 1.00 0.00 C ATOM 1247 CD ARG A 82 17.911 -35.677 24.344 1.00 0.00 C ATOM 1248 NE ARG A 82 16.999 -36.813 24.237 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.039 -37.070 25.119 1.00 0.00 C ATOM 1250 NH1 ARG A 82 15.867 -36.276 26.167 1.00 0.00 N ATOM 1251 NH2 ARG A 82 15.249 -38.123 24.953 1.00 0.00 N ATOM 0 H ARG A 82 21.139 -34.398 22.842 1.00 0.00 H new ATOM 0 HA ARG A 82 22.499 -36.423 24.171 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.180 -37.177 24.800 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.498 -35.478 25.089 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.343 -34.932 22.928 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.961 -36.631 22.732 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.215 -35.552 25.383 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.390 -34.765 24.053 1.00 0.00 H new ATOM 0 HE ARG A 82 17.105 -37.443 23.442 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.472 -35.466 26.298 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.129 -36.476 26.842 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.378 -38.736 24.148 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.512 -38.320 25.630 1.00 0.00 H new