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 139:sc= -2.4 (180deg=-1.19) USER MOD Set 1.2: A 37 TYR OH : rot -162:sc= 0.545 USER MOD Set 1.3: A 70 HIS : no HD1:sc= -3.19! C(o=-5!,f=-12!) USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.18) 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 50 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot -61:sc= 0.136 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 55 MET CE :methyl -155:sc= -0.0338 (180deg=-0.243) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0889 K(o=-0.089,f=-2.9!) 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= -0.366 X(o=-0.37,f=-0.046) USER MOD Single : A 77 SER OG : rot 130:sc= 0.259 USER MOD Single : A 79 HIS : no HD1:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -164:sc= -0.178 (180deg=-0.428) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.067 -24.943 27.309 1.00 0.00 N ATOM 331 CA VAL A 25 27.811 -24.266 27.012 1.00 0.00 C ATOM 332 C VAL A 25 28.050 -22.985 26.220 1.00 0.00 C ATOM 333 O VAL A 25 27.356 -22.709 25.242 1.00 0.00 O ATOM 334 CB VAL A 25 27.040 -23.923 28.301 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.739 -23.208 27.971 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.775 -25.182 29.114 1.00 0.00 C ATOM 0 HA VAL A 25 27.215 -24.954 26.413 1.00 0.00 H new ATOM 0 HB VAL A 25 27.653 -23.252 28.903 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.208 -22.974 28.894 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.957 -22.285 27.434 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.118 -23.852 27.349 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.230 -24.921 30.021 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.182 -25.879 28.522 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.723 -25.648 29.382 1.00 0.00 H new ATOM 346 N ASP A 26 29.037 -22.207 26.650 1.00 0.00 N ATOM 347 CA ASP A 26 29.370 -20.955 25.980 1.00 0.00 C ATOM 348 C ASP A 26 29.726 -21.199 24.517 1.00 0.00 C ATOM 349 O ASP A 26 29.436 -20.374 23.651 1.00 0.00 O ATOM 350 CB ASP A 26 30.535 -20.265 26.692 1.00 0.00 C ATOM 351 CG ASP A 26 31.884 -20.766 26.217 1.00 0.00 C ATOM 352 OD1 ASP A 26 32.333 -21.821 26.712 1.00 0.00 O ATOM 353 OD2 ASP A 26 32.491 -20.104 25.349 1.00 0.00 O ATOM 0 H ASP A 26 29.620 -22.421 27.459 1.00 0.00 H new ATOM 0 HA ASP A 26 28.494 -20.307 26.019 1.00 0.00 H new ATOM 0 HB2 ASP A 26 30.472 -19.189 26.527 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.448 -20.428 27.766 1.00 0.00 H new ATOM 358 N ASP A 27 30.356 -22.338 24.249 1.00 0.00 N ATOM 359 CA ASP A 27 30.752 -22.691 22.890 1.00 0.00 C ATOM 360 C ASP A 27 29.545 -23.143 22.073 1.00 0.00 C ATOM 361 O ASP A 27 29.356 -22.711 20.936 1.00 0.00 O ATOM 362 CB ASP A 27 31.809 -23.796 22.915 1.00 0.00 C ATOM 363 CG ASP A 27 33.221 -23.248 22.848 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.461 -22.323 22.042 1.00 0.00 O ATOM 365 OD2 ASP A 27 34.086 -23.742 23.600 1.00 0.00 O ATOM 0 H ASP A 27 30.603 -23.032 24.954 1.00 0.00 H new ATOM 0 HA ASP A 27 31.176 -21.804 22.419 1.00 0.00 H new ATOM 0 HB2 ASP A 27 31.694 -24.385 23.825 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.644 -24.471 22.076 1.00 0.00 H new ATOM 370 N TRP A 28 28.734 -24.015 22.660 1.00 0.00 N ATOM 371 CA TRP A 28 27.546 -24.526 21.986 1.00 0.00 C ATOM 372 C TRP A 28 26.616 -23.387 21.582 1.00 0.00 C ATOM 373 O TRP A 28 26.269 -23.242 20.409 1.00 0.00 O ATOM 374 CB TRP A 28 26.803 -25.510 22.892 1.00 0.00 C ATOM 375 CG TRP A 28 25.399 -25.785 22.446 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.985 -26.084 21.179 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.224 -25.783 23.264 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.623 -26.268 21.161 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.133 -26.090 22.428 1.00 0.00 C ATOM 380 CE3 TRP A 28 23.988 -25.554 24.623 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.828 -26.172 22.907 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.692 -25.635 25.096 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.626 -25.943 24.241 1.00 0.00 C ATOM 0 H TRP A 28 28.877 -24.383 23.601 1.00 0.00 H new ATOM 0 HA TRP A 28 27.867 -25.045 21.083 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.356 -26.449 22.927 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.783 -25.114 23.907 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.632 -26.164 20.318 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.067 -26.500 20.338 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.803 -25.318 25.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.005 -26.408 22.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.498 -25.458 26.143 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.625 -26.001 24.642 1.00 0.00 H new ATOM 394 N LEU A 29 26.216 -22.581 22.559 1.00 0.00 N ATOM 395 CA LEU A 29 25.326 -21.453 22.305 1.00 0.00 C ATOM 396 C LEU A 29 25.909 -20.530 21.240 1.00 0.00 C ATOM 397 O LEU A 29 25.178 -19.968 20.424 1.00 0.00 O ATOM 398 CB LEU A 29 25.081 -20.671 23.596 1.00 0.00 C ATOM 399 CG LEU A 29 24.293 -21.401 24.684 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.292 -20.596 25.974 1.00 0.00 C ATOM 401 CD2 LEU A 29 22.869 -21.670 24.220 1.00 0.00 C ATOM 0 H LEU A 29 26.494 -22.687 23.535 1.00 0.00 H new ATOM 0 HA LEU A 29 24.377 -21.845 21.940 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.047 -20.379 24.009 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.550 -19.752 23.346 1.00 0.00 H new ATOM 0 HG LEU A 29 24.778 -22.358 24.878 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.726 -21.131 26.737 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.317 -20.454 26.315 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.831 -19.624 25.796 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.322 -22.190 25.006 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.374 -20.725 23.998 1.00 0.00 H new ATOM 0 HD23 LEU A 29 22.889 -22.288 23.322 1.00 0.00 H new ATOM 413 N SER A 30 27.229 -20.379 21.252 1.00 0.00 N ATOM 414 CA SER A 30 27.910 -19.523 20.288 1.00 0.00 C ATOM 415 C SER A 30 27.835 -20.118 18.885 1.00 0.00 C ATOM 416 O SER A 30 28.034 -19.419 17.891 1.00 0.00 O ATOM 417 CB SER A 30 29.372 -19.325 20.693 1.00 0.00 C ATOM 418 OG SER A 30 29.965 -18.265 19.961 1.00 0.00 O ATOM 0 H SER A 30 27.849 -20.839 21.919 1.00 0.00 H new ATOM 0 HA SER A 30 27.408 -18.555 20.281 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.431 -19.112 21.760 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.928 -20.246 20.520 1.00 0.00 H new ATOM 0 HG SER A 30 30.899 -18.158 20.239 1.00 0.00 H new ATOM 424 N ALA A 31 27.547 -21.413 18.813 1.00 0.00 N ATOM 425 CA ALA A 31 27.444 -22.103 17.533 1.00 0.00 C ATOM 426 C ALA A 31 26.028 -22.015 16.974 1.00 0.00 C ATOM 427 O ALA A 31 25.771 -22.420 15.840 1.00 0.00 O ATOM 428 CB ALA A 31 27.866 -23.557 17.681 1.00 0.00 C ATOM 0 H ALA A 31 27.381 -22.006 19.626 1.00 0.00 H new ATOM 0 HA ALA A 31 28.115 -21.612 16.829 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.784 -24.060 16.717 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.899 -23.603 18.027 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.218 -24.052 18.405 1.00 0.00 H new ATOM 434 N ILE A 32 25.112 -21.485 17.778 1.00 0.00 N ATOM 435 CA ILE A 32 23.722 -21.344 17.363 1.00 0.00 C ATOM 436 C ILE A 32 23.266 -19.892 17.450 1.00 0.00 C ATOM 437 O ILE A 32 22.077 -19.593 17.331 1.00 0.00 O ATOM 438 CB ILE A 32 22.787 -22.216 18.222 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.105 -22.033 19.708 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.912 -23.679 17.825 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.220 -22.851 20.621 1.00 0.00 C ATOM 0 H ILE A 32 25.308 -21.146 18.720 1.00 0.00 H new ATOM 0 HA ILE A 32 23.667 -21.678 16.327 1.00 0.00 H new ATOM 0 HB ILE A 32 21.759 -21.899 18.048 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.146 -22.305 19.885 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.003 -20.979 19.966 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.245 -24.282 18.441 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.641 -23.796 16.776 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.940 -24.010 17.973 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.502 -22.671 21.658 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.179 -22.563 20.473 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.339 -23.910 20.391 1.00 0.00 H new ATOM 453 N LYS A 33 24.220 -18.990 17.656 1.00 0.00 N ATOM 454 CA LYS A 33 23.919 -17.566 17.755 1.00 0.00 C ATOM 455 C LYS A 33 23.109 -17.268 19.013 1.00 0.00 C ATOM 456 O LYS A 33 22.562 -16.177 19.165 1.00 0.00 O ATOM 457 CB LYS A 33 23.150 -17.099 16.518 1.00 0.00 C ATOM 458 CG LYS A 33 23.712 -17.637 15.213 1.00 0.00 C ATOM 459 CD LYS A 33 23.901 -16.531 14.189 1.00 0.00 C ATOM 460 CE LYS A 33 22.680 -16.385 13.294 1.00 0.00 C ATOM 461 NZ LYS A 33 22.994 -15.640 12.044 1.00 0.00 N ATOM 0 H LYS A 33 25.209 -19.220 17.758 1.00 0.00 H new ATOM 0 HA LYS A 33 24.863 -17.024 17.814 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.109 -17.408 16.610 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.158 -16.010 16.485 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.667 -18.126 15.402 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.039 -18.395 14.811 1.00 0.00 H new ATOM 0 HD2 LYS A 33 24.093 -15.588 14.701 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.778 -16.746 13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.295 -17.373 13.041 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.891 -15.865 13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.136 -15.562 11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.337 -14.688 12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.729 -16.149 11.512 1.00 0.00 H new ATOM 475 N MET A 34 23.039 -18.245 19.911 1.00 0.00 N ATOM 476 CA MET A 34 22.297 -18.085 21.157 1.00 0.00 C ATOM 477 C MET A 34 23.248 -17.893 22.335 1.00 0.00 C ATOM 478 O MET A 34 22.894 -18.167 23.482 1.00 0.00 O ATOM 479 CB MET A 34 21.402 -19.301 21.402 1.00 0.00 C ATOM 480 CG MET A 34 20.485 -19.626 20.234 1.00 0.00 C ATOM 481 SD MET A 34 19.415 -18.245 19.786 1.00 0.00 S ATOM 482 CE MET A 34 18.287 -18.226 21.177 1.00 0.00 C ATOM 0 H MET A 34 23.486 -19.155 19.800 1.00 0.00 H new ATOM 0 HA MET A 34 21.673 -17.196 21.068 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.029 -20.167 21.613 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.796 -19.123 22.290 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.088 -19.908 19.371 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.870 -20.489 20.489 1.00 0.00 H new ATOM 0 HE1 MET A 34 18.093 -17.195 21.474 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.350 -18.704 20.892 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.731 -18.767 22.013 1.00 0.00 H new ATOM 492 N VAL A 35 24.456 -17.422 22.043 1.00 0.00 N ATOM 493 CA VAL A 35 25.457 -17.193 23.078 1.00 0.00 C ATOM 494 C VAL A 35 24.957 -16.194 24.115 1.00 0.00 C ATOM 495 O VAL A 35 25.465 -16.140 25.234 1.00 0.00 O ATOM 496 CB VAL A 35 26.778 -16.676 22.477 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.773 -15.157 22.406 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.964 -17.177 23.288 1.00 0.00 C ATOM 0 H VAL A 35 24.765 -17.192 21.099 1.00 0.00 H new ATOM 0 HA VAL A 35 25.638 -18.153 23.561 1.00 0.00 H new ATOM 0 HB VAL A 35 26.872 -17.063 21.462 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.714 -14.810 21.979 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.945 -14.825 21.779 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.656 -14.746 23.409 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.889 -16.802 22.849 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.879 -16.821 24.315 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.975 -18.267 23.282 1.00 0.00 H new ATOM 508 N GLN A 36 23.958 -15.404 23.734 1.00 0.00 N ATOM 509 CA GLN A 36 23.390 -14.405 24.631 1.00 0.00 C ATOM 510 C GLN A 36 22.921 -15.047 25.933 1.00 0.00 C ATOM 511 O GLN A 36 22.849 -14.388 26.971 1.00 0.00 O ATOM 512 CB GLN A 36 22.222 -13.686 23.954 1.00 0.00 C ATOM 513 CG GLN A 36 21.041 -14.595 23.652 1.00 0.00 C ATOM 514 CD GLN A 36 20.549 -14.459 22.225 1.00 0.00 C ATOM 515 OE1 GLN A 36 21.338 -14.477 21.280 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.238 -14.321 22.060 1.00 0.00 N ATOM 0 H GLN A 36 23.526 -15.437 22.811 1.00 0.00 H new ATOM 0 HA GLN A 36 24.168 -13.679 24.865 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.887 -12.870 24.595 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.572 -13.238 23.024 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.328 -15.630 23.836 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.225 -14.364 24.337 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.620 -14.311 22.871 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.849 -14.225 21.122 1.00 0.00 H new ATOM 525 N TYR A 37 22.603 -16.335 25.870 1.00 0.00 N ATOM 526 CA TYR A 37 22.138 -17.065 27.044 1.00 0.00 C ATOM 527 C TYR A 37 23.266 -17.894 27.652 1.00 0.00 C ATOM 528 O TYR A 37 23.024 -18.922 28.285 1.00 0.00 O ATOM 529 CB TYR A 37 20.965 -17.974 26.673 1.00 0.00 C ATOM 530 CG TYR A 37 19.760 -17.225 26.150 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.016 -16.398 26.983 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.365 -17.345 24.823 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.914 -15.712 26.510 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.266 -16.661 24.341 1.00 0.00 C ATOM 535 CZ TYR A 37 17.544 -15.847 25.188 1.00 0.00 C ATOM 536 OH TYR A 37 16.447 -15.166 24.712 1.00 0.00 O ATOM 0 H TYR A 37 22.659 -16.895 25.019 1.00 0.00 H new ATOM 0 HA TYR A 37 21.806 -16.338 27.785 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.294 -18.688 25.918 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.671 -18.550 27.550 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.304 -16.290 28.018 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.927 -17.984 24.157 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.346 -15.074 27.171 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.974 -16.763 23.306 1.00 0.00 H new ATOM 0 HH TYR A 37 16.149 -15.573 23.872 1.00 0.00 H new ATOM 546 N ARG A 38 24.498 -17.438 27.455 1.00 0.00 N ATOM 547 CA ARG A 38 25.664 -18.136 27.983 1.00 0.00 C ATOM 548 C ARG A 38 25.755 -17.975 29.497 1.00 0.00 C ATOM 549 O ARG A 38 26.340 -18.811 30.187 1.00 0.00 O ATOM 550 CB ARG A 38 26.941 -17.609 27.326 1.00 0.00 C ATOM 551 CG ARG A 38 27.257 -16.165 27.680 1.00 0.00 C ATOM 552 CD ARG A 38 28.687 -15.801 27.313 1.00 0.00 C ATOM 553 NE ARG A 38 28.791 -15.308 25.942 1.00 0.00 N ATOM 554 CZ ARG A 38 29.875 -14.713 25.455 1.00 0.00 C ATOM 555 NH1 ARG A 38 30.941 -14.538 26.224 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.893 -14.291 24.197 1.00 0.00 N ATOM 0 H ARG A 38 24.715 -16.588 26.934 1.00 0.00 H new ATOM 0 HA ARG A 38 25.556 -19.196 27.754 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.779 -18.239 27.624 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.845 -17.696 26.244 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.567 -15.502 27.159 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.103 -16.009 28.748 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.055 -15.040 28.001 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.326 -16.676 27.433 1.00 0.00 H new ATOM 0 HE ARG A 38 27.988 -15.427 25.325 1.00 0.00 H new ATOM 0 HH11 ARG A 38 30.930 -14.860 27.192 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.772 -14.081 25.848 1.00 0.00 H new ATOM 0 HH21 ARG A 38 29.074 -14.423 23.603 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.725 -13.834 23.824 1.00 0.00 H new ATOM 570 N ASP A 39 25.173 -16.896 30.008 1.00 0.00 N ATOM 571 CA ASP A 39 25.187 -16.625 31.441 1.00 0.00 C ATOM 572 C ASP A 39 24.003 -17.294 32.132 1.00 0.00 C ATOM 573 O ASP A 39 24.082 -17.661 33.305 1.00 0.00 O ATOM 574 CB ASP A 39 25.158 -15.118 31.698 1.00 0.00 C ATOM 575 CG ASP A 39 26.540 -14.545 31.942 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.350 -15.217 32.614 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.811 -13.425 31.461 1.00 0.00 O ATOM 0 H ASP A 39 24.685 -16.194 29.451 1.00 0.00 H new ATOM 0 HA ASP A 39 26.107 -17.038 31.854 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.705 -14.615 30.843 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.525 -14.912 32.561 1.00 0.00 H new ATOM 582 N SER A 40 22.906 -17.450 31.398 1.00 0.00 N ATOM 583 CA SER A 40 21.704 -18.070 31.942 1.00 0.00 C ATOM 584 C SER A 40 21.975 -19.515 32.350 1.00 0.00 C ATOM 585 O SER A 40 21.557 -19.959 33.419 1.00 0.00 O ATOM 586 CB SER A 40 20.571 -18.022 30.915 1.00 0.00 C ATOM 587 OG SER A 40 19.409 -17.425 31.465 1.00 0.00 O ATOM 0 H SER A 40 22.825 -17.155 30.425 1.00 0.00 H new ATOM 0 HA SER A 40 21.406 -17.510 32.829 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.893 -17.459 30.039 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.339 -19.032 30.577 1.00 0.00 H new ATOM 0 HG SER A 40 18.700 -17.405 30.789 1.00 0.00 H new ATOM 593 N PHE A 41 22.678 -20.244 31.489 1.00 0.00 N ATOM 594 CA PHE A 41 23.005 -21.640 31.757 1.00 0.00 C ATOM 595 C PHE A 41 24.085 -21.748 32.830 1.00 0.00 C ATOM 596 O PHE A 41 23.988 -22.570 33.743 1.00 0.00 O ATOM 597 CB PHE A 41 23.472 -22.332 30.475 1.00 0.00 C ATOM 598 CG PHE A 41 22.352 -22.673 29.536 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.447 -23.675 29.850 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.202 -21.992 28.338 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.415 -23.991 28.986 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.172 -22.304 27.471 1.00 0.00 C ATOM 603 CZ PHE A 41 20.277 -23.304 27.796 1.00 0.00 C ATOM 0 H PHE A 41 23.032 -19.891 30.600 1.00 0.00 H new ATOM 0 HA PHE A 41 22.105 -22.135 32.121 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.182 -21.685 29.961 1.00 0.00 H new ATOM 0 HB3 PHE A 41 24.005 -23.245 30.738 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.549 -24.215 30.780 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.898 -21.208 28.079 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.717 -24.775 29.242 1.00 0.00 H new ATOM 0 HE2 PHE A 41 21.067 -21.766 26.540 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.470 -23.548 27.121 1.00 0.00 H new ATOM 613 N LEU A 42 25.112 -20.915 32.713 1.00 0.00 N ATOM 614 CA LEU A 42 26.212 -20.916 33.672 1.00 0.00 C ATOM 615 C LEU A 42 25.696 -20.710 35.093 1.00 0.00 C ATOM 616 O LEU A 42 25.839 -21.582 35.951 1.00 0.00 O ATOM 617 CB LEU A 42 27.223 -19.824 33.321 1.00 0.00 C ATOM 618 CG LEU A 42 28.186 -20.143 32.177 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.875 -18.878 31.690 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.213 -21.176 32.618 1.00 0.00 C ATOM 0 H LEU A 42 25.207 -20.230 31.964 1.00 0.00 H new ATOM 0 HA LEU A 42 26.704 -21.887 33.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.674 -18.918 33.065 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.810 -19.601 34.212 1.00 0.00 H new ATOM 0 HG LEU A 42 27.612 -20.560 31.350 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.556 -19.125 30.876 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.127 -18.170 31.334 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.437 -18.431 32.510 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.890 -21.391 31.792 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.782 -20.786 33.462 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.703 -22.092 32.917 1.00 0.00 H new ATOM 632 N THR A 43 25.092 -19.550 35.335 1.00 0.00 N ATOM 633 CA THR A 43 24.553 -19.229 36.650 1.00 0.00 C ATOM 634 C THR A 43 23.538 -20.274 37.099 1.00 0.00 C ATOM 635 O THR A 43 23.390 -20.537 38.291 1.00 0.00 O ATOM 636 CB THR A 43 23.884 -17.842 36.660 1.00 0.00 C ATOM 637 OG1 THR A 43 23.559 -17.464 38.002 1.00 0.00 O ATOM 638 CG2 THR A 43 22.623 -17.843 35.809 1.00 0.00 C ATOM 0 H THR A 43 24.964 -18.818 34.637 1.00 0.00 H new ATOM 0 HA THR A 43 25.394 -19.223 37.343 1.00 0.00 H new ATOM 0 HB THR A 43 24.586 -17.122 36.240 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.135 -16.580 37.999 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.168 -16.853 35.832 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.878 -18.102 34.781 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.918 -18.575 36.204 1.00 0.00 H new ATOM 646 N ALA A 44 22.841 -20.866 36.135 1.00 0.00 N ATOM 647 CA ALA A 44 21.841 -21.885 36.431 1.00 0.00 C ATOM 648 C ALA A 44 22.493 -23.156 36.965 1.00 0.00 C ATOM 649 O ALA A 44 21.840 -23.979 37.604 1.00 0.00 O ATOM 650 CB ALA A 44 21.018 -22.194 35.189 1.00 0.00 C ATOM 0 H ALA A 44 22.950 -20.658 35.142 1.00 0.00 H new ATOM 0 HA ALA A 44 21.179 -21.495 37.204 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.276 -22.956 35.425 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.514 -21.288 34.852 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.674 -22.559 34.399 1.00 0.00 H new ATOM 656 N GLY A 45 23.787 -23.309 36.698 1.00 0.00 N ATOM 657 CA GLY A 45 24.506 -24.482 37.158 1.00 0.00 C ATOM 658 C GLY A 45 24.926 -25.389 36.019 1.00 0.00 C ATOM 659 O GLY A 45 25.795 -26.245 36.185 1.00 0.00 O ATOM 0 H GLY A 45 24.350 -22.641 36.171 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.390 -24.168 37.713 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.877 -25.041 37.851 1.00 0.00 H new ATOM 663 N PHE A 46 24.306 -25.204 34.858 1.00 0.00 N ATOM 664 CA PHE A 46 24.619 -26.014 33.686 1.00 0.00 C ATOM 665 C PHE A 46 25.853 -25.477 32.968 1.00 0.00 C ATOM 666 O PHE A 46 25.749 -24.645 32.066 1.00 0.00 O ATOM 667 CB PHE A 46 23.428 -26.042 32.726 1.00 0.00 C ATOM 668 CG PHE A 46 22.115 -26.305 33.407 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.853 -27.538 33.982 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.144 -25.319 33.473 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.645 -27.783 34.609 1.00 0.00 C ATOM 672 CE2 PHE A 46 19.934 -25.558 34.099 1.00 0.00 C ATOM 673 CZ PHE A 46 19.686 -26.792 34.668 1.00 0.00 C ATOM 0 H PHE A 46 23.584 -24.500 34.704 1.00 0.00 H new ATOM 0 HA PHE A 46 24.829 -27.029 34.023 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.372 -25.088 32.202 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.597 -26.811 31.972 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.600 -28.316 33.940 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.334 -24.352 33.030 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.452 -28.749 35.052 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.185 -24.781 34.143 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.743 -26.981 35.159 1.00 0.00 H new ATOM 683 N THR A 47 27.024 -25.959 33.374 1.00 0.00 N ATOM 684 CA THR A 47 28.279 -25.528 32.772 1.00 0.00 C ATOM 685 C THR A 47 28.739 -26.508 31.698 1.00 0.00 C ATOM 686 O THR A 47 29.473 -26.139 30.781 1.00 0.00 O ATOM 687 CB THR A 47 29.389 -25.384 33.829 1.00 0.00 C ATOM 688 OG1 THR A 47 29.664 -26.656 34.428 1.00 0.00 O ATOM 689 CG2 THR A 47 28.986 -24.388 34.906 1.00 0.00 C ATOM 0 H THR A 47 27.129 -26.649 34.118 1.00 0.00 H new ATOM 0 HA THR A 47 28.093 -24.555 32.317 1.00 0.00 H new ATOM 0 HB THR A 47 30.286 -25.015 33.332 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.372 -26.556 35.098 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.786 -24.303 35.641 1.00 0.00 H new ATOM 0 HG22 THR A 47 28.806 -23.414 34.452 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.076 -24.732 35.398 1.00 0.00 H new ATOM 697 N SER A 48 28.302 -27.757 31.818 1.00 0.00 N ATOM 698 CA SER A 48 28.672 -28.791 30.858 1.00 0.00 C ATOM 699 C SER A 48 27.476 -29.185 29.997 1.00 0.00 C ATOM 700 O SER A 48 26.349 -29.281 30.484 1.00 0.00 O ATOM 701 CB SER A 48 29.217 -30.021 31.587 1.00 0.00 C ATOM 702 OG SER A 48 30.198 -29.655 32.541 1.00 0.00 O ATOM 0 H SER A 48 27.692 -28.078 32.570 1.00 0.00 H new ATOM 0 HA SER A 48 29.449 -28.388 30.208 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.400 -30.545 32.083 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.648 -30.714 30.865 1.00 0.00 H new ATOM 0 HG SER A 48 30.529 -30.458 32.994 1.00 0.00 H new ATOM 708 N LEU A 49 27.730 -29.414 28.713 1.00 0.00 N ATOM 709 CA LEU A 49 26.675 -29.798 27.781 1.00 0.00 C ATOM 710 C LEU A 49 26.041 -31.123 28.192 1.00 0.00 C ATOM 711 O LEU A 49 24.858 -31.358 27.948 1.00 0.00 O ATOM 712 CB LEU A 49 27.236 -29.906 26.362 1.00 0.00 C ATOM 713 CG LEU A 49 27.903 -28.647 25.806 1.00 0.00 C ATOM 714 CD1 LEU A 49 28.953 -29.013 24.769 1.00 0.00 C ATOM 715 CD2 LEU A 49 26.862 -27.712 25.207 1.00 0.00 C ATOM 0 H LEU A 49 28.657 -29.340 28.294 1.00 0.00 H new ATOM 0 HA LEU A 49 25.906 -29.026 27.803 1.00 0.00 H new ATOM 0 HB2 LEU A 49 27.963 -30.718 26.341 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.424 -30.189 25.692 1.00 0.00 H new ATOM 0 HG LEU A 49 28.398 -28.129 26.627 1.00 0.00 H new ATOM 0 HD11 LEU A 49 29.417 -28.105 24.385 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.715 -29.643 25.229 1.00 0.00 H new ATOM 0 HD13 LEU A 49 28.481 -29.554 23.949 1.00 0.00 H new ATOM 0 HD21 LEU A 49 27.355 -26.822 24.816 1.00 0.00 H new ATOM 0 HD22 LEU A 49 26.338 -28.221 24.398 1.00 0.00 H new ATOM 0 HD23 LEU A 49 26.147 -27.423 25.977 1.00 0.00 H new ATOM 727 N GLN A 50 26.837 -31.984 28.818 1.00 0.00 N ATOM 728 CA GLN A 50 26.352 -33.285 29.264 1.00 0.00 C ATOM 729 C GLN A 50 25.135 -33.131 30.171 1.00 0.00 C ATOM 730 O GLN A 50 24.304 -34.035 30.269 1.00 0.00 O ATOM 731 CB GLN A 50 27.460 -34.040 30.002 1.00 0.00 C ATOM 732 CG GLN A 50 28.154 -33.210 31.070 1.00 0.00 C ATOM 733 CD GLN A 50 28.484 -34.015 32.311 1.00 0.00 C ATOM 734 OE1 GLN A 50 27.761 -34.945 32.672 1.00 0.00 O ATOM 735 NE2 GLN A 50 29.580 -33.662 32.973 1.00 0.00 N ATOM 0 H GLN A 50 27.819 -31.805 29.028 1.00 0.00 H new ATOM 0 HA GLN A 50 26.056 -33.856 28.384 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.035 -34.931 30.465 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.201 -34.379 29.278 1.00 0.00 H new ATOM 0 HG2 GLN A 50 29.072 -32.790 30.659 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.515 -32.371 31.345 1.00 0.00 H new ATOM 0 HE21 GLN A 50 30.150 -32.885 32.638 1.00 0.00 H new ATOM 0 HE22 GLN A 50 29.852 -34.168 33.816 1.00 0.00 H new ATOM 744 N LEU A 51 25.037 -31.983 30.831 1.00 0.00 N ATOM 745 CA LEU A 51 23.921 -31.711 31.730 1.00 0.00 C ATOM 746 C LEU A 51 22.772 -31.040 30.984 1.00 0.00 C ATOM 747 O LEU A 51 21.611 -31.155 31.378 1.00 0.00 O ATOM 748 CB LEU A 51 24.379 -30.823 32.889 1.00 0.00 C ATOM 749 CG LEU A 51 25.452 -31.414 33.804 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.844 -30.415 34.881 1.00 0.00 C ATOM 751 CD2 LEU A 51 24.963 -32.712 34.429 1.00 0.00 C ATOM 0 H LEU A 51 25.716 -31.225 30.761 1.00 0.00 H new ATOM 0 HA LEU A 51 23.566 -32.662 32.127 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.757 -29.888 32.476 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.508 -30.575 33.496 1.00 0.00 H new ATOM 0 HG LEU A 51 26.335 -31.634 33.203 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.609 -30.853 35.523 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.236 -29.512 34.414 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.969 -30.163 35.480 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.739 -33.119 35.077 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.065 -32.518 35.016 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.734 -33.431 33.642 1.00 0.00 H new ATOM 763 N VAL A 52 23.103 -30.341 29.903 1.00 0.00 N ATOM 764 CA VAL A 52 22.098 -29.654 29.100 1.00 0.00 C ATOM 765 C VAL A 52 21.355 -30.632 28.196 1.00 0.00 C ATOM 766 O VAL A 52 20.206 -30.398 27.821 1.00 0.00 O ATOM 767 CB VAL A 52 22.732 -28.550 28.233 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.673 -27.868 27.380 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.459 -27.539 29.106 1.00 0.00 C ATOM 0 H VAL A 52 24.059 -30.235 29.563 1.00 0.00 H new ATOM 0 HA VAL A 52 21.393 -29.199 29.796 1.00 0.00 H new ATOM 0 HB VAL A 52 23.461 -29.009 27.566 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.139 -27.091 26.774 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.202 -28.603 26.728 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.918 -27.420 28.026 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.901 -26.766 28.477 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.753 -27.083 29.799 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.245 -28.043 29.668 1.00 0.00 H new ATOM 779 N THR A 53 22.019 -31.730 27.849 1.00 0.00 N ATOM 780 CA THR A 53 21.423 -32.744 26.989 1.00 0.00 C ATOM 781 C THR A 53 20.196 -33.368 27.643 1.00 0.00 C ATOM 782 O THR A 53 19.310 -33.881 26.959 1.00 0.00 O ATOM 783 CB THR A 53 22.432 -33.857 26.649 1.00 0.00 C ATOM 784 OG1 THR A 53 22.922 -34.458 27.853 1.00 0.00 O ATOM 785 CG2 THR A 53 23.597 -33.304 25.842 1.00 0.00 C ATOM 0 H THR A 53 22.971 -31.940 28.151 1.00 0.00 H new ATOM 0 HA THR A 53 21.125 -32.242 26.069 1.00 0.00 H new ATOM 0 HB THR A 53 21.920 -34.610 26.049 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.377 -33.780 28.395 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.296 -34.109 25.614 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.224 -32.873 24.913 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.107 -32.533 26.420 1.00 0.00 H new ATOM 793 N GLN A 54 20.151 -33.321 28.971 1.00 0.00 N ATOM 794 CA GLN A 54 19.031 -33.882 29.717 1.00 0.00 C ATOM 795 C GLN A 54 18.078 -32.784 30.178 1.00 0.00 C ATOM 796 O GLN A 54 17.368 -32.942 31.170 1.00 0.00 O ATOM 797 CB GLN A 54 19.540 -34.672 30.924 1.00 0.00 C ATOM 798 CG GLN A 54 20.702 -35.597 30.600 1.00 0.00 C ATOM 799 CD GLN A 54 21.039 -36.534 31.743 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.150 -37.103 32.376 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.329 -36.699 32.013 1.00 0.00 N ATOM 0 H GLN A 54 20.877 -32.901 29.552 1.00 0.00 H new ATOM 0 HA GLN A 54 18.487 -34.555 29.054 1.00 0.00 H new ATOM 0 HB2 GLN A 54 19.849 -33.973 31.701 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.720 -35.262 31.333 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.458 -36.184 29.714 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.580 -34.999 30.355 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.032 -36.207 31.462 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.616 -37.318 32.771 1.00 0.00 H new ATOM 810 N MET A 55 18.070 -31.672 29.451 1.00 0.00 N ATOM 811 CA MET A 55 17.204 -30.547 29.785 1.00 0.00 C ATOM 812 C MET A 55 16.007 -30.483 28.842 1.00 0.00 C ATOM 813 O MET A 55 15.962 -31.185 27.830 1.00 0.00 O ATOM 814 CB MET A 55 17.988 -29.235 29.723 1.00 0.00 C ATOM 815 CG MET A 55 19.018 -29.089 30.830 1.00 0.00 C ATOM 816 SD MET A 55 18.267 -28.954 32.464 1.00 0.00 S ATOM 817 CE MET A 55 18.792 -30.497 33.207 1.00 0.00 C ATOM 0 H MET A 55 18.653 -31.525 28.627 1.00 0.00 H new ATOM 0 HA MET A 55 16.836 -30.694 30.801 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.491 -29.168 28.759 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.289 -28.401 29.777 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.689 -29.948 30.813 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.627 -28.205 30.640 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.092 -30.779 33.994 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.816 -31.277 32.446 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.788 -30.375 33.634 1.00 0.00 H new ATOM 827 N THR A 56 15.038 -29.638 29.178 1.00 0.00 N ATOM 828 CA THR A 56 13.840 -29.484 28.362 1.00 0.00 C ATOM 829 C THR A 56 13.417 -28.022 28.276 1.00 0.00 C ATOM 830 O THR A 56 13.993 -27.159 28.939 1.00 0.00 O ATOM 831 CB THR A 56 12.669 -30.313 28.921 1.00 0.00 C ATOM 832 OG1 THR A 56 11.582 -30.317 27.988 1.00 0.00 O ATOM 833 CG2 THR A 56 12.197 -29.753 30.254 1.00 0.00 C ATOM 0 H THR A 56 15.059 -29.049 30.011 1.00 0.00 H new ATOM 0 HA THR A 56 14.089 -29.847 27.365 1.00 0.00 H new ATOM 0 HB THR A 56 13.018 -31.334 29.077 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.842 -30.848 28.350 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.369 -30.355 30.629 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.018 -29.778 30.971 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.865 -28.724 30.119 1.00 0.00 H new ATOM 841 N SER A 57 12.407 -27.750 27.456 1.00 0.00 N ATOM 842 CA SER A 57 11.909 -26.390 27.281 1.00 0.00 C ATOM 843 C SER A 57 11.595 -25.750 28.630 1.00 0.00 C ATOM 844 O SER A 57 11.863 -24.568 28.845 1.00 0.00 O ATOM 845 CB SER A 57 10.659 -26.392 26.400 1.00 0.00 C ATOM 846 OG SER A 57 9.874 -25.234 26.626 1.00 0.00 O ATOM 0 H SER A 57 11.917 -28.453 26.902 1.00 0.00 H new ATOM 0 HA SER A 57 12.687 -25.803 26.793 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.950 -26.439 25.351 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.066 -27.283 26.606 1.00 0.00 H new ATOM 0 HG SER A 57 9.082 -25.258 26.050 1.00 0.00 H new ATOM 852 N GLU A 58 11.024 -26.539 29.534 1.00 0.00 N ATOM 853 CA GLU A 58 10.671 -26.049 30.861 1.00 0.00 C ATOM 854 C GLU A 58 11.903 -25.519 31.590 1.00 0.00 C ATOM 855 O GLU A 58 11.826 -24.533 32.324 1.00 0.00 O ATOM 856 CB GLU A 58 10.018 -27.162 31.684 1.00 0.00 C ATOM 857 CG GLU A 58 8.735 -27.698 31.071 1.00 0.00 C ATOM 858 CD GLU A 58 7.923 -28.526 32.049 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.087 -28.328 33.271 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.126 -29.371 31.593 1.00 0.00 O ATOM 0 H GLU A 58 10.796 -27.520 29.372 1.00 0.00 H new ATOM 0 HA GLU A 58 9.960 -25.231 30.741 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.727 -27.982 31.798 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.803 -26.785 32.684 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.130 -26.864 30.717 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.979 -28.307 30.200 1.00 0.00 H new ATOM 867 N ASP A 59 13.036 -26.180 31.383 1.00 0.00 N ATOM 868 CA ASP A 59 14.284 -25.777 32.019 1.00 0.00 C ATOM 869 C ASP A 59 14.753 -24.426 31.488 1.00 0.00 C ATOM 870 O ASP A 59 15.431 -23.672 32.188 1.00 0.00 O ATOM 871 CB ASP A 59 15.365 -26.833 31.786 1.00 0.00 C ATOM 872 CG ASP A 59 15.072 -28.132 32.512 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.684 -28.074 33.697 1.00 0.00 O ATOM 874 OD2 ASP A 59 15.230 -29.205 31.894 1.00 0.00 O ATOM 0 H ASP A 59 13.116 -26.998 30.779 1.00 0.00 H new ATOM 0 HA ASP A 59 14.103 -25.684 33.090 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.453 -27.029 30.717 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.327 -26.443 32.119 1.00 0.00 H new ATOM 879 N LEU A 60 14.389 -24.126 30.246 1.00 0.00 N ATOM 880 CA LEU A 60 14.773 -22.866 29.619 1.00 0.00 C ATOM 881 C LEU A 60 14.047 -21.691 30.269 1.00 0.00 C ATOM 882 O LEU A 60 14.625 -20.621 30.462 1.00 0.00 O ATOM 883 CB LEU A 60 14.466 -22.904 28.121 1.00 0.00 C ATOM 884 CG LEU A 60 14.790 -24.214 27.403 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.448 -24.112 25.925 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.256 -24.577 27.590 1.00 0.00 C ATOM 0 H LEU A 60 13.828 -24.738 29.653 1.00 0.00 H new ATOM 0 HA LEU A 60 15.845 -22.730 29.760 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.406 -22.689 27.982 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.020 -22.100 27.636 1.00 0.00 H new ATOM 0 HG LEU A 60 14.182 -25.006 27.841 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.686 -25.054 25.431 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.385 -23.901 25.811 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.028 -23.308 25.472 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.468 -25.512 27.072 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.882 -23.785 27.180 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.469 -24.694 28.653 1.00 0.00 H new ATOM 898 N LEU A 61 12.779 -21.899 30.605 1.00 0.00 N ATOM 899 CA LEU A 61 11.974 -20.859 31.236 1.00 0.00 C ATOM 900 C LEU A 61 12.360 -20.685 32.701 1.00 0.00 C ATOM 901 O LEU A 61 12.071 -19.656 33.312 1.00 0.00 O ATOM 902 CB LEU A 61 10.487 -21.199 31.125 1.00 0.00 C ATOM 903 CG LEU A 61 9.741 -20.571 29.948 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.241 -21.648 28.997 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.583 -19.717 30.444 1.00 0.00 C ATOM 0 H LEU A 61 12.286 -22.779 30.451 1.00 0.00 H new ATOM 0 HA LEU A 61 12.165 -19.921 30.715 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.387 -22.282 31.056 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.995 -20.891 32.047 1.00 0.00 H new ATOM 0 HG LEU A 61 10.434 -19.928 29.405 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.712 -21.182 28.165 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.088 -22.218 28.615 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.564 -22.317 29.528 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.064 -19.278 29.592 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.890 -20.338 31.011 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.965 -18.922 31.085 1.00 0.00 H new ATOM 917 N ARG A 62 13.017 -21.697 33.259 1.00 0.00 N ATOM 918 CA ARG A 62 13.444 -21.655 34.652 1.00 0.00 C ATOM 919 C ARG A 62 14.660 -20.749 34.822 1.00 0.00 C ATOM 920 O ARG A 62 14.774 -20.026 35.812 1.00 0.00 O ATOM 921 CB ARG A 62 13.771 -23.064 35.150 1.00 0.00 C ATOM 922 CG ARG A 62 12.553 -23.966 35.270 1.00 0.00 C ATOM 923 CD ARG A 62 12.394 -24.501 36.685 1.00 0.00 C ATOM 924 NE ARG A 62 11.425 -23.728 37.457 1.00 0.00 N ATOM 925 CZ ARG A 62 10.109 -23.872 37.339 1.00 0.00 C ATOM 926 NH1 ARG A 62 9.609 -24.755 36.486 1.00 0.00 N ATOM 927 NH2 ARG A 62 9.291 -23.132 38.077 1.00 0.00 N ATOM 0 H ARG A 62 13.265 -22.556 32.767 1.00 0.00 H new ATOM 0 HA ARG A 62 12.624 -21.248 35.244 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.487 -23.524 34.469 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.257 -22.993 36.123 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.659 -23.411 34.987 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.645 -24.799 34.573 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.077 -25.543 36.645 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.359 -24.481 37.191 1.00 0.00 H new ATOM 0 HE ARG A 62 11.777 -23.040 38.123 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.235 -25.326 35.918 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.599 -24.863 36.398 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.672 -22.452 38.735 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.281 -23.243 37.986 1.00 0.00 H new ATOM 941 N ILE A 63 15.565 -20.794 33.850 1.00 0.00 N ATOM 942 CA ILE A 63 16.771 -19.977 33.892 1.00 0.00 C ATOM 943 C ILE A 63 16.489 -18.555 33.421 1.00 0.00 C ATOM 944 O ILE A 63 17.179 -17.613 33.808 1.00 0.00 O ATOM 945 CB ILE A 63 17.890 -20.581 33.023 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.478 -20.580 31.549 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.217 -21.993 33.485 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.566 -21.067 30.617 1.00 0.00 C ATOM 0 H ILE A 63 15.486 -21.387 33.024 1.00 0.00 H new ATOM 0 HA ILE A 63 17.100 -19.954 34.931 1.00 0.00 H new ATOM 0 HB ILE A 63 18.784 -19.968 33.132 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.597 -21.210 31.426 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.190 -19.569 31.261 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.010 -22.406 32.861 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.548 -21.969 34.523 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.328 -22.618 33.403 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.204 -21.039 29.589 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.441 -20.423 30.711 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.838 -22.090 30.878 1.00 0.00 H new ATOM 960 N GLY A 64 15.467 -18.407 32.583 1.00 0.00 N ATOM 961 CA GLY A 64 15.109 -17.096 32.074 1.00 0.00 C ATOM 962 C GLY A 64 14.608 -17.146 30.644 1.00 0.00 C ATOM 963 O GLY A 64 13.694 -16.409 30.274 1.00 0.00 O ATOM 0 H GLY A 64 14.881 -19.172 32.248 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.339 -16.660 32.711 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.977 -16.439 32.129 1.00 0.00 H new ATOM 967 N ILE A 65 15.208 -18.015 29.839 1.00 0.00 N ATOM 968 CA ILE A 65 14.817 -18.158 28.442 1.00 0.00 C ATOM 969 C ILE A 65 13.312 -18.367 28.311 1.00 0.00 C ATOM 970 O ILE A 65 12.802 -19.460 28.558 1.00 0.00 O ATOM 971 CB ILE A 65 15.548 -19.335 27.769 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.063 -19.136 27.851 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.105 -19.476 26.321 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.854 -20.395 27.572 1.00 0.00 C ATOM 0 H ILE A 65 15.967 -18.631 30.130 1.00 0.00 H new ATOM 0 HA ILE A 65 15.098 -17.232 27.940 1.00 0.00 H new ATOM 0 HB ILE A 65 15.291 -20.253 28.298 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.359 -18.365 27.139 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.320 -18.768 28.844 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.631 -20.312 25.859 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.031 -19.658 26.285 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.335 -18.559 25.779 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.920 -20.179 27.648 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.586 -21.161 28.299 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.626 -20.753 26.568 1.00 0.00 H new ATOM 986 N THR A 66 12.606 -17.312 27.917 1.00 0.00 N ATOM 987 CA THR A 66 11.159 -17.379 27.752 1.00 0.00 C ATOM 988 C THR A 66 10.742 -16.916 26.361 1.00 0.00 C ATOM 989 O THR A 66 9.739 -16.219 26.202 1.00 0.00 O ATOM 990 CB THR A 66 10.433 -16.521 28.805 1.00 0.00 C ATOM 991 OG1 THR A 66 10.921 -15.175 28.762 1.00 0.00 O ATOM 992 CG2 THR A 66 10.632 -17.093 30.201 1.00 0.00 C ATOM 0 H THR A 66 13.013 -16.401 27.706 1.00 0.00 H new ATOM 0 HA THR A 66 10.874 -18.423 27.885 1.00 0.00 H new ATOM 0 HB THR A 66 9.368 -16.529 28.575 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.453 -14.636 29.433 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.110 -16.470 30.927 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.233 -18.107 30.239 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.696 -17.113 30.438 1.00 0.00 H new ATOM 1000 N LEU A 67 11.517 -17.308 25.356 1.00 0.00 N ATOM 1001 CA LEU A 67 11.228 -16.934 23.976 1.00 0.00 C ATOM 1002 C LEU A 67 10.904 -18.164 23.134 1.00 0.00 C ATOM 1003 O LEU A 67 11.790 -18.948 22.796 1.00 0.00 O ATOM 1004 CB LEU A 67 12.416 -16.186 23.369 1.00 0.00 C ATOM 1005 CG LEU A 67 12.356 -14.660 23.439 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.469 -14.122 24.324 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.443 -14.058 22.044 1.00 0.00 C ATOM 0 H LEU A 67 12.350 -17.885 25.471 1.00 0.00 H new ATOM 0 HA LEU A 67 10.357 -16.279 23.979 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.324 -16.517 23.873 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.507 -16.478 22.323 1.00 0.00 H new ATOM 0 HG LEU A 67 11.400 -14.373 23.878 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.410 -13.034 24.362 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.361 -14.526 25.330 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.435 -14.419 23.915 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.399 -12.971 22.113 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.383 -14.354 21.578 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.610 -14.417 21.440 1.00 0.00 H new ATOM 1019 N ALA A 68 9.628 -18.326 22.799 1.00 0.00 N ATOM 1020 CA ALA A 68 9.187 -19.458 21.993 1.00 0.00 C ATOM 1021 C ALA A 68 9.976 -19.546 20.691 1.00 0.00 C ATOM 1022 O ALA A 68 10.211 -20.634 20.169 1.00 0.00 O ATOM 1023 CB ALA A 68 7.697 -19.352 21.704 1.00 0.00 C ATOM 0 H ALA A 68 8.881 -17.687 23.073 1.00 0.00 H new ATOM 0 HA ALA A 68 9.371 -20.370 22.561 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.382 -20.204 21.101 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.144 -19.347 22.643 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.497 -18.429 21.160 1.00 0.00 H new ATOM 1029 N GLY A 69 10.383 -18.391 20.172 1.00 0.00 N ATOM 1030 CA GLY A 69 11.140 -18.360 18.934 1.00 0.00 C ATOM 1031 C GLY A 69 12.594 -18.740 19.135 1.00 0.00 C ATOM 1032 O GLY A 69 13.283 -19.111 18.184 1.00 0.00 O ATOM 0 H GLY A 69 10.202 -17.477 20.587 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.685 -19.042 18.216 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.085 -17.360 18.503 1.00 0.00 H new ATOM 1036 N HIS A 70 13.063 -18.646 20.375 1.00 0.00 N ATOM 1037 CA HIS A 70 14.445 -18.981 20.697 1.00 0.00 C ATOM 1038 C HIS A 70 14.561 -20.436 21.144 1.00 0.00 C ATOM 1039 O HIS A 70 15.450 -21.161 20.700 1.00 0.00 O ATOM 1040 CB HIS A 70 14.975 -18.055 21.792 1.00 0.00 C ATOM 1041 CG HIS A 70 15.333 -16.687 21.298 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.364 -15.577 22.115 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.677 -16.254 20.063 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.711 -14.519 21.403 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.907 -14.903 20.155 1.00 0.00 N ATOM 0 H HIS A 70 12.506 -18.341 21.173 1.00 0.00 H new ATOM 0 HA HIS A 70 15.045 -18.847 19.797 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.222 -17.964 22.575 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.855 -18.510 22.247 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.756 -16.858 19.171 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.816 -13.512 21.778 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.184 -14.295 19.384 1.00 0.00 H new ATOM 1053 N GLN A 71 13.657 -20.853 22.025 1.00 0.00 N ATOM 1054 CA GLN A 71 13.660 -22.220 22.532 1.00 0.00 C ATOM 1055 C GLN A 71 13.611 -23.226 21.387 1.00 0.00 C ATOM 1056 O GLN A 71 14.190 -24.309 21.473 1.00 0.00 O ATOM 1057 CB GLN A 71 12.473 -22.440 23.471 1.00 0.00 C ATOM 1058 CG GLN A 71 12.465 -21.507 24.672 1.00 0.00 C ATOM 1059 CD GLN A 71 11.068 -21.244 25.197 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.076 -21.616 24.570 1.00 0.00 O ATOM 1061 NE2 GLN A 71 10.982 -20.598 26.354 1.00 0.00 N ATOM 0 H GLN A 71 12.914 -20.264 22.402 1.00 0.00 H new ATOM 0 HA GLN A 71 14.586 -22.373 23.086 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.548 -22.305 22.911 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.485 -23.472 23.823 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.072 -21.939 25.467 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.929 -20.560 24.395 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.830 -20.308 26.840 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.068 -20.392 26.756 1.00 0.00 H new ATOM 1070 N LYS A 72 12.917 -22.861 20.315 1.00 0.00 N ATOM 1071 CA LYS A 72 12.792 -23.730 19.151 1.00 0.00 C ATOM 1072 C LYS A 72 14.165 -24.099 18.598 1.00 0.00 C ATOM 1073 O LYS A 72 14.346 -25.173 18.023 1.00 0.00 O ATOM 1074 CB LYS A 72 11.960 -23.045 18.064 1.00 0.00 C ATOM 1075 CG LYS A 72 10.920 -23.954 17.431 1.00 0.00 C ATOM 1076 CD LYS A 72 9.528 -23.350 17.512 1.00 0.00 C ATOM 1077 CE LYS A 72 8.952 -23.464 18.915 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.744 -24.335 18.949 1.00 0.00 N ATOM 0 H LYS A 72 12.432 -21.968 20.228 1.00 0.00 H new ATOM 0 HA LYS A 72 12.288 -24.644 19.464 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.459 -22.178 18.494 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.628 -22.674 17.286 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.179 -24.134 16.388 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.927 -24.922 17.933 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.568 -22.301 17.218 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.870 -23.855 16.805 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.710 -23.867 19.587 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.695 -22.471 19.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.381 -24.387 19.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.011 -23.937 18.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.995 -25.290 18.621 1.00 0.00 H new ATOM 1092 N LYS A 73 15.130 -23.204 18.777 1.00 0.00 N ATOM 1093 CA LYS A 73 16.488 -23.436 18.299 1.00 0.00 C ATOM 1094 C LYS A 73 17.278 -24.279 19.295 1.00 0.00 C ATOM 1095 O LYS A 73 17.919 -25.261 18.919 1.00 0.00 O ATOM 1096 CB LYS A 73 17.202 -22.103 18.062 1.00 0.00 C ATOM 1097 CG LYS A 73 18.557 -22.250 17.392 1.00 0.00 C ATOM 1098 CD LYS A 73 18.733 -21.246 16.265 1.00 0.00 C ATOM 1099 CE LYS A 73 19.726 -21.744 15.226 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.045 -22.403 14.078 1.00 0.00 N ATOM 0 H LYS A 73 14.997 -22.310 19.250 1.00 0.00 H new ATOM 0 HA LYS A 73 16.427 -23.981 17.357 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.568 -21.466 17.445 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.332 -21.595 19.018 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.346 -22.111 18.131 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.662 -23.261 16.999 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.770 -21.059 15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.077 -20.296 16.673 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.322 -20.907 14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.416 -22.448 15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.756 -22.728 13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.497 -23.218 14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.405 -21.724 13.618 1.00 0.00 H new ATOM 1114 N ILE A 74 17.228 -23.889 20.564 1.00 0.00 N ATOM 1115 CA ILE A 74 17.938 -24.611 21.613 1.00 0.00 C ATOM 1116 C ILE A 74 17.536 -26.082 21.636 1.00 0.00 C ATOM 1117 O ILE A 74 18.369 -26.967 21.434 1.00 0.00 O ATOM 1118 CB ILE A 74 17.671 -23.996 22.999 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.096 -22.526 23.019 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.404 -24.780 24.077 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.587 -21.767 24.224 1.00 0.00 C ATOM 0 H ILE A 74 16.704 -23.077 20.891 1.00 0.00 H new ATOM 0 HA ILE A 74 19.001 -24.531 21.388 1.00 0.00 H new ATOM 0 HB ILE A 74 16.602 -24.048 23.204 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.184 -22.470 22.998 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.734 -22.039 22.113 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.205 -24.333 25.051 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.057 -25.813 24.075 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.476 -24.756 23.879 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.926 -20.732 24.172 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.497 -21.791 24.236 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.970 -22.229 25.134 1.00 0.00 H new ATOM 1133 N LEU A 75 16.256 -26.336 21.882 1.00 0.00 N ATOM 1134 CA LEU A 75 15.742 -27.701 21.930 1.00 0.00 C ATOM 1135 C LEU A 75 16.132 -28.474 20.674 1.00 0.00 C ATOM 1136 O LEU A 75 16.544 -29.630 20.748 1.00 0.00 O ATOM 1137 CB LEU A 75 14.221 -27.689 22.084 1.00 0.00 C ATOM 1138 CG LEU A 75 13.670 -26.867 23.249 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.280 -26.342 22.923 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.643 -27.699 24.523 1.00 0.00 C ATOM 0 H LEU A 75 15.555 -25.615 22.051 1.00 0.00 H new ATOM 0 HA LEU A 75 16.184 -28.199 22.793 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.785 -27.309 21.160 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.879 -28.718 22.198 1.00 0.00 H new ATOM 0 HG LEU A 75 14.329 -26.014 23.410 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.905 -25.759 23.764 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.329 -25.710 22.037 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.609 -27.180 22.734 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.248 -27.098 25.342 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.007 -28.572 24.374 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.654 -28.024 24.767 1.00 0.00 H new ATOM 1152 N ASN A 76 16.000 -27.825 19.521 1.00 0.00 N ATOM 1153 CA ASN A 76 16.340 -28.451 18.249 1.00 0.00 C ATOM 1154 C ASN A 76 17.765 -28.996 18.274 1.00 0.00 C ATOM 1155 O ASN A 76 18.083 -29.962 17.581 1.00 0.00 O ATOM 1156 CB ASN A 76 16.187 -27.446 17.105 1.00 0.00 C ATOM 1157 CG ASN A 76 14.895 -27.639 16.335 1.00 0.00 C ATOM 1158 OD1 ASN A 76 14.897 -27.717 15.106 1.00 0.00 O ATOM 1159 ND2 ASN A 76 13.782 -27.717 17.056 1.00 0.00 N ATOM 0 H ASN A 76 15.660 -26.867 19.442 1.00 0.00 H new ATOM 0 HA ASN A 76 15.654 -29.283 18.088 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.219 -26.434 17.508 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.031 -27.545 16.423 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.882 -27.847 16.593 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.827 -27.647 18.073 1.00 0.00 H new ATOM 1166 N SER A 77 18.618 -28.369 19.078 1.00 0.00 N ATOM 1167 CA SER A 77 20.010 -28.789 19.191 1.00 0.00 C ATOM 1168 C SER A 77 20.175 -29.831 20.294 1.00 0.00 C ATOM 1169 O SER A 77 20.852 -30.843 20.110 1.00 0.00 O ATOM 1170 CB SER A 77 20.907 -27.583 19.475 1.00 0.00 C ATOM 1171 OG SER A 77 22.187 -27.751 18.892 1.00 0.00 O ATOM 0 H SER A 77 18.370 -27.569 19.660 1.00 0.00 H new ATOM 0 HA SER A 77 20.307 -29.238 18.243 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.441 -26.679 19.083 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.009 -27.447 20.552 1.00 0.00 H new ATOM 0 HG SER A 77 22.419 -26.951 18.375 1.00 0.00 H new ATOM 1177 N ILE A 78 19.552 -29.574 21.439 1.00 0.00 N ATOM 1178 CA ILE A 78 19.628 -30.489 22.571 1.00 0.00 C ATOM 1179 C ILE A 78 19.204 -31.898 22.169 1.00 0.00 C ATOM 1180 O ILE A 78 19.895 -32.874 22.463 1.00 0.00 O ATOM 1181 CB ILE A 78 18.746 -30.013 23.740 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.164 -28.610 24.185 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.833 -30.991 24.902 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.194 -27.968 25.151 1.00 0.00 C ATOM 0 H ILE A 78 18.989 -28.740 21.607 1.00 0.00 H new ATOM 0 HA ILE A 78 20.669 -30.504 22.895 1.00 0.00 H new ATOM 0 HB ILE A 78 17.711 -29.973 23.401 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.147 -28.664 24.652 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.263 -27.973 23.306 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.204 -30.641 25.720 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.491 -31.974 24.577 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.866 -31.061 25.242 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.554 -26.976 25.423 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.215 -27.882 24.680 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.113 -28.583 26.047 1.00 0.00 H new ATOM 1196 N HIS A 79 18.062 -31.996 21.495 1.00 0.00 N ATOM 1197 CA HIS A 79 17.546 -33.286 21.049 1.00 0.00 C ATOM 1198 C HIS A 79 18.571 -34.011 20.182 1.00 0.00 C ATOM 1199 O HIS A 79 18.708 -35.232 20.256 1.00 0.00 O ATOM 1200 CB HIS A 79 16.244 -33.096 20.270 1.00 0.00 C ATOM 1201 CG HIS A 79 15.282 -34.233 20.427 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.944 -34.135 20.110 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.470 -35.498 20.870 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.350 -35.290 20.352 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.255 -36.135 20.813 1.00 0.00 N ATOM 0 H HIS A 79 17.477 -31.199 21.246 1.00 0.00 H new ATOM 0 HA HIS A 79 17.347 -33.895 21.931 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.763 -32.175 20.601 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.477 -32.972 19.213 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.403 -35.927 21.206 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.303 -35.507 20.199 1.00 0.00 H new ATOM 0 HE2 HIS A 79 14.080 -37.103 21.083 1.00 0.00 H new ATOM 1213 N SER A 80 19.288 -33.251 19.361 1.00 0.00 N ATOM 1214 CA SER A 80 20.297 -33.822 18.476 1.00 0.00 C ATOM 1215 C SER A 80 21.574 -34.143 19.245 1.00 0.00 C ATOM 1216 O SER A 80 22.335 -35.031 18.863 1.00 0.00 O ATOM 1217 CB SER A 80 20.606 -32.856 17.331 1.00 0.00 C ATOM 1218 OG SER A 80 19.661 -32.987 16.283 1.00 0.00 O ATOM 0 H SER A 80 19.189 -32.238 19.290 1.00 0.00 H new ATOM 0 HA SER A 80 19.900 -34.749 18.062 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.600 -31.832 17.704 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.608 -33.050 16.948 1.00 0.00 H new ATOM 0 HG SER A 80 19.880 -32.358 15.564 1.00 0.00 H new ATOM 1224 N MET A 81 21.803 -33.413 20.332 1.00 0.00 N ATOM 1225 CA MET A 81 22.988 -33.620 21.156 1.00 0.00 C ATOM 1226 C MET A 81 22.892 -34.934 21.926 1.00 0.00 C ATOM 1227 O MET A 81 23.779 -35.783 21.835 1.00 0.00 O ATOM 1228 CB MET A 81 23.166 -32.456 22.133 1.00 0.00 C ATOM 1229 CG MET A 81 24.294 -31.511 21.753 1.00 0.00 C ATOM 1230 SD MET A 81 24.988 -30.650 23.177 1.00 0.00 S ATOM 1231 CE MET A 81 23.769 -29.360 23.420 1.00 0.00 C ATOM 0 H MET A 81 21.184 -32.673 20.662 1.00 0.00 H new ATOM 0 HA MET A 81 23.854 -33.668 20.496 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.234 -31.893 22.188 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.357 -32.855 23.129 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.083 -32.075 21.254 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.923 -30.779 21.036 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.183 -28.585 24.064 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.501 -28.926 22.456 1.00 0.00 H new ATOM 0 HE3 MET A 81 22.880 -29.783 23.887 1.00 0.00 H new ATOM 1241 N ARG A 82 21.811 -35.094 22.682 1.00 0.00 N ATOM 1242 CA ARG A 82 21.600 -36.304 23.467 1.00 0.00 C ATOM 1243 C ARG A 82 21.741 -37.549 22.597 1.00 0.00 C ATOM 1244 O ARG A 82 22.266 -38.572 23.038 1.00 0.00 O ATOM 1245 CB ARG A 82 20.217 -36.280 24.121 1.00 0.00 C ATOM 1246 CG ARG A 82 19.084 -36.032 23.139 1.00 0.00 C ATOM 1247 CD ARG A 82 17.808 -35.616 23.854 1.00 0.00 C ATOM 1248 NE ARG A 82 17.362 -36.626 24.809 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.797 -37.775 24.454 1.00 0.00 C ATOM 1250 NH1 ARG A 82 16.610 -38.057 23.173 1.00 0.00 N ATOM 1251 NH2 ARG A 82 16.417 -38.644 25.383 1.00 0.00 N ATOM 0 H ARG A 82 21.068 -34.401 22.767 1.00 0.00 H new ATOM 0 HA ARG A 82 22.362 -36.338 24.246 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.047 -37.231 24.627 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.200 -35.504 24.886 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.377 -35.255 22.433 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.899 -36.936 22.559 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.975 -34.673 24.375 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.022 -35.439 23.120 1.00 0.00 H new ATOM 0 HE ARG A 82 17.491 -36.439 25.803 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.900 -37.391 22.457 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.176 -38.940 22.903 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.559 -38.430 26.370 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.983 -39.526 25.110 1.00 0.00 H new