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 -112:sc= -3.43 (180deg=-1.64) USER MOD Set 1.2: A 37 TYR OH : rot 165:sc= 1.33 USER MOD Set 1.3: A 70 HIS : no HD1:sc= -0.283 K(o=-2.4,f=-9.7) 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 X(o=0,f=-0.12) 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= -0.179 X(o=-0.18,f=0) USER MOD Single : A 53 THR OG1 : rot -55:sc= 0.127 USER MOD Single : A 54 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.1) USER MOD Single : A 55 MET CE :methyl -104:sc= -0.206 (180deg=-1.75) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.132 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= -2.28 K(o=-2.3,f=-4.1!) 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= -0.455 X(o=-0.46,f=-0.03) USER MOD Single : A 77 SER OG : rot 130:sc= 0.44 USER MOD Single : A 79 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.034) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 155:sc= -1.89 (180deg=-2.81!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.042 -24.969 27.229 1.00 0.00 N ATOM 331 CA VAL A 25 27.828 -24.214 26.943 1.00 0.00 C ATOM 332 C VAL A 25 28.143 -22.938 26.170 1.00 0.00 C ATOM 333 O VAL A 25 27.539 -22.664 25.133 1.00 0.00 O ATOM 334 CB VAL A 25 27.078 -23.845 28.238 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.768 -23.142 27.915 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.833 -25.085 29.083 1.00 0.00 C ATOM 0 HA VAL A 25 27.192 -24.856 26.334 1.00 0.00 H new ATOM 0 HB VAL A 25 27.699 -23.158 28.813 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.253 -22.889 28.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.973 -22.230 27.354 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.138 -23.802 27.318 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.303 -24.806 29.993 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.233 -25.798 28.517 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.788 -25.541 29.345 1.00 0.00 H new ATOM 346 N ASP A 26 29.092 -22.163 26.682 1.00 0.00 N ATOM 347 CA ASP A 26 29.490 -20.916 26.039 1.00 0.00 C ATOM 348 C ASP A 26 29.823 -21.145 24.568 1.00 0.00 C ATOM 349 O ASP A 26 29.617 -20.267 23.730 1.00 0.00 O ATOM 350 CB ASP A 26 30.695 -20.308 26.759 1.00 0.00 C ATOM 351 CG ASP A 26 30.516 -20.279 28.264 1.00 0.00 C ATOM 352 OD1 ASP A 26 30.647 -21.347 28.897 1.00 0.00 O ATOM 353 OD2 ASP A 26 30.246 -19.189 28.808 1.00 0.00 O ATOM 0 H ASP A 26 29.600 -22.376 27.540 1.00 0.00 H new ATOM 0 HA ASP A 26 28.652 -20.221 26.099 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.589 -20.882 26.513 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.858 -19.293 26.396 1.00 0.00 H new ATOM 358 N ASP A 27 30.340 -22.330 24.262 1.00 0.00 N ATOM 359 CA ASP A 27 30.702 -22.675 22.892 1.00 0.00 C ATOM 360 C ASP A 27 29.474 -23.110 22.098 1.00 0.00 C ATOM 361 O ASP A 27 29.210 -22.594 21.012 1.00 0.00 O ATOM 362 CB ASP A 27 31.751 -23.789 22.884 1.00 0.00 C ATOM 363 CG ASP A 27 33.003 -23.399 22.123 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.718 -22.487 22.587 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.268 -24.007 21.064 1.00 0.00 O ATOM 0 H ASP A 27 30.518 -23.068 24.944 1.00 0.00 H new ATOM 0 HA ASP A 27 31.122 -21.787 22.419 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.017 -24.041 23.911 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.322 -24.685 22.437 1.00 0.00 H new ATOM 370 N TRP A 28 28.728 -24.062 22.647 1.00 0.00 N ATOM 371 CA TRP A 28 27.528 -24.567 21.990 1.00 0.00 C ATOM 372 C TRP A 28 26.589 -23.425 21.619 1.00 0.00 C ATOM 373 O TRP A 28 26.204 -23.277 20.459 1.00 0.00 O ATOM 374 CB TRP A 28 26.806 -25.563 22.898 1.00 0.00 C ATOM 375 CG TRP A 28 25.395 -25.839 22.474 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.971 -26.210 21.230 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.223 -25.763 23.293 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.606 -26.369 21.226 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.124 -26.101 22.480 1.00 0.00 C ATOM 380 CE3 TRP A 28 23.996 -25.443 24.634 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.819 -26.128 22.966 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.701 -25.469 25.115 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.626 -25.811 24.283 1.00 0.00 C ATOM 0 H TRP A 28 28.933 -24.500 23.545 1.00 0.00 H new ATOM 0 HA TRP A 28 27.831 -25.075 21.074 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.363 -26.500 22.913 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.803 -25.178 23.918 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.614 -26.357 20.375 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.043 -26.642 20.420 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.818 -25.180 25.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.989 -26.390 22.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.514 -25.222 26.150 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.626 -25.825 24.690 1.00 0.00 H new ATOM 394 N LEU A 29 26.224 -22.619 22.610 1.00 0.00 N ATOM 395 CA LEU A 29 25.329 -21.489 22.387 1.00 0.00 C ATOM 396 C LEU A 29 25.876 -20.567 21.302 1.00 0.00 C ATOM 397 O LEU A 29 25.120 -20.019 20.500 1.00 0.00 O ATOM 398 CB LEU A 29 25.132 -20.705 23.686 1.00 0.00 C ATOM 399 CG LEU A 29 24.413 -21.446 24.814 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.265 -20.548 26.033 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.053 -21.940 24.345 1.00 0.00 C ATOM 0 H LEU A 29 26.534 -22.727 23.576 1.00 0.00 H new ATOM 0 HA LEU A 29 24.367 -21.879 22.056 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.111 -20.392 24.050 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.571 -19.798 23.458 1.00 0.00 H new ATOM 0 HG LEU A 29 25.014 -22.311 25.096 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.751 -21.092 26.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.252 -20.244 26.383 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.686 -19.664 25.766 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.556 -22.465 25.161 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.444 -21.090 24.035 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.183 -22.619 23.502 1.00 0.00 H new ATOM 413 N SER A 30 27.195 -20.402 21.282 1.00 0.00 N ATOM 414 CA SER A 30 27.844 -19.545 20.296 1.00 0.00 C ATOM 415 C SER A 30 27.760 -20.161 18.903 1.00 0.00 C ATOM 416 O SER A 30 27.933 -19.474 17.897 1.00 0.00 O ATOM 417 CB SER A 30 29.307 -19.312 20.676 1.00 0.00 C ATOM 418 OG SER A 30 29.836 -18.184 20.000 1.00 0.00 O ATOM 0 H SER A 30 27.835 -20.850 21.937 1.00 0.00 H new ATOM 0 HA SER A 30 27.323 -18.588 20.283 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.387 -19.165 21.753 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.895 -20.196 20.430 1.00 0.00 H new ATOM 0 HG SER A 30 30.772 -18.055 20.261 1.00 0.00 H new ATOM 424 N ALA A 31 27.493 -21.462 18.853 1.00 0.00 N ATOM 425 CA ALA A 31 27.385 -22.172 17.584 1.00 0.00 C ATOM 426 C ALA A 31 25.955 -22.136 17.056 1.00 0.00 C ATOM 427 O ALA A 31 25.683 -22.586 15.943 1.00 0.00 O ATOM 428 CB ALA A 31 27.856 -23.610 17.742 1.00 0.00 C ATOM 0 H ALA A 31 27.347 -22.046 19.677 1.00 0.00 H new ATOM 0 HA ALA A 31 28.025 -21.670 16.859 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.770 -24.128 16.787 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.896 -23.618 18.067 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.240 -24.115 18.486 1.00 0.00 H new ATOM 434 N ILE A 32 25.044 -21.600 17.862 1.00 0.00 N ATOM 435 CA ILE A 32 23.642 -21.506 17.475 1.00 0.00 C ATOM 436 C ILE A 32 23.145 -20.067 17.555 1.00 0.00 C ATOM 437 O ILE A 32 21.945 -19.807 17.465 1.00 0.00 O ATOM 438 CB ILE A 32 22.752 -22.395 18.363 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.083 -22.172 19.840 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.928 -23.860 17.990 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.242 -23.008 20.780 1.00 0.00 C ATOM 0 H ILE A 32 25.252 -21.224 18.787 1.00 0.00 H new ATOM 0 HA ILE A 32 23.575 -21.854 16.444 1.00 0.00 H new ATOM 0 HB ILE A 32 21.710 -22.121 18.199 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.136 -22.400 20.007 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.943 -21.118 20.080 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.293 -24.476 18.626 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.648 -24.006 16.947 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.970 -24.148 18.130 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.531 -22.799 21.810 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.189 -22.763 20.641 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.400 -24.065 20.567 1.00 0.00 H new ATOM 453 N LYS A 33 24.076 -19.134 17.725 1.00 0.00 N ATOM 454 CA LYS A 33 23.734 -17.719 17.814 1.00 0.00 C ATOM 455 C LYS A 33 22.951 -17.428 19.091 1.00 0.00 C ATOM 456 O LYS A 33 22.377 -16.351 19.246 1.00 0.00 O ATOM 457 CB LYS A 33 22.916 -17.292 16.594 1.00 0.00 C ATOM 458 CG LYS A 33 23.454 -17.834 15.281 1.00 0.00 C ATOM 459 CD LYS A 33 23.537 -16.748 14.221 1.00 0.00 C ATOM 460 CE LYS A 33 22.255 -16.665 13.407 1.00 0.00 C ATOM 461 NZ LYS A 33 22.498 -16.925 11.961 1.00 0.00 N ATOM 0 H LYS A 33 25.073 -19.332 17.804 1.00 0.00 H new ATOM 0 HA LYS A 33 24.662 -17.148 17.839 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.887 -17.628 16.722 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.893 -16.203 16.546 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.443 -18.263 15.442 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.810 -18.640 14.928 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.730 -15.787 14.698 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.378 -16.949 13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.534 -17.388 13.790 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.811 -15.677 13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.600 -16.859 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.166 -16.220 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.898 -17.878 11.842 1.00 0.00 H new ATOM 475 N MET A 34 22.935 -18.395 20.003 1.00 0.00 N ATOM 476 CA MET A 34 22.225 -18.240 21.267 1.00 0.00 C ATOM 477 C MET A 34 23.202 -17.999 22.413 1.00 0.00 C ATOM 478 O MET A 34 22.886 -18.252 23.576 1.00 0.00 O ATOM 479 CB MET A 34 21.379 -19.482 21.556 1.00 0.00 C ATOM 480 CG MET A 34 20.470 -19.879 20.404 1.00 0.00 C ATOM 481 SD MET A 34 19.357 -18.551 19.907 1.00 0.00 S ATOM 482 CE MET A 34 18.249 -18.493 21.313 1.00 0.00 C ATOM 0 H MET A 34 23.405 -19.293 19.890 1.00 0.00 H new ATOM 0 HA MET A 34 21.569 -17.373 21.183 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.041 -20.316 21.790 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.771 -19.299 22.442 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.080 -20.175 19.551 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.883 -20.750 20.694 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.258 -18.831 21.010 1.00 0.00 H new ATOM 0 HE2 MET A 34 18.628 -19.143 22.102 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.186 -17.470 21.684 1.00 0.00 H new ATOM 492 N VAL A 35 24.392 -17.509 22.078 1.00 0.00 N ATOM 493 CA VAL A 35 25.415 -17.232 23.080 1.00 0.00 C ATOM 494 C VAL A 35 24.908 -16.244 24.124 1.00 0.00 C ATOM 495 O VAL A 35 25.433 -16.178 25.235 1.00 0.00 O ATOM 496 CB VAL A 35 26.695 -16.669 22.434 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.626 -15.152 22.346 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.923 -17.111 23.215 1.00 0.00 C ATOM 0 H VAL A 35 24.671 -17.296 21.120 1.00 0.00 H new ATOM 0 HA VAL A 35 25.649 -18.180 23.565 1.00 0.00 H new ATOM 0 HB VAL A 35 26.775 -17.064 21.421 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.539 -14.772 21.887 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.767 -14.861 21.741 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.522 -14.734 23.347 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.819 -16.705 22.745 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.853 -16.746 24.240 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.978 -18.200 23.221 1.00 0.00 H new ATOM 508 N GLN A 36 23.886 -15.477 23.759 1.00 0.00 N ATOM 509 CA GLN A 36 23.309 -14.491 24.665 1.00 0.00 C ATOM 510 C GLN A 36 22.876 -15.143 25.974 1.00 0.00 C ATOM 511 O GLN A 36 22.807 -14.486 27.013 1.00 0.00 O ATOM 512 CB GLN A 36 22.113 -13.800 24.006 1.00 0.00 C ATOM 513 CG GLN A 36 20.942 -14.732 23.740 1.00 0.00 C ATOM 514 CD GLN A 36 20.337 -14.530 22.365 1.00 0.00 C ATOM 515 OE1 GLN A 36 21.033 -14.595 21.351 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.033 -14.283 22.323 1.00 0.00 N ATOM 0 H GLN A 36 23.441 -15.519 22.842 1.00 0.00 H new ATOM 0 HA GLN A 36 24.074 -13.746 24.886 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.778 -12.983 24.646 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.434 -13.356 23.064 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.275 -15.765 23.838 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.175 -14.571 24.498 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.494 -14.238 23.188 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.570 -14.138 21.426 1.00 0.00 H new ATOM 525 N TYR A 37 22.585 -16.438 25.917 1.00 0.00 N ATOM 526 CA TYR A 37 22.156 -17.178 27.098 1.00 0.00 C ATOM 527 C TYR A 37 23.315 -17.969 27.695 1.00 0.00 C ATOM 528 O TYR A 37 23.112 -19.001 28.336 1.00 0.00 O ATOM 529 CB TYR A 37 21.007 -18.123 26.743 1.00 0.00 C ATOM 530 CG TYR A 37 19.769 -17.412 26.247 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.085 -16.516 27.060 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.282 -17.635 24.965 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.953 -15.864 26.611 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.152 -16.987 24.507 1.00 0.00 C ATOM 535 CZ TYR A 37 17.490 -16.103 25.333 1.00 0.00 C ATOM 536 OH TYR A 37 16.363 -15.456 24.881 1.00 0.00 O ATOM 0 H TYR A 37 22.638 -16.997 25.065 1.00 0.00 H new ATOM 0 HA TYR A 37 21.810 -16.459 27.841 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.346 -18.822 25.978 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.749 -18.714 27.622 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.445 -16.326 28.060 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.796 -18.327 24.315 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.433 -15.171 27.256 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.788 -17.172 23.507 1.00 0.00 H new ATOM 0 HH TYR A 37 16.306 -15.541 23.906 1.00 0.00 H new ATOM 546 N ARG A 38 24.531 -17.479 27.480 1.00 0.00 N ATOM 547 CA ARG A 38 25.724 -18.139 27.996 1.00 0.00 C ATOM 548 C ARG A 38 25.820 -17.983 29.511 1.00 0.00 C ATOM 549 O ARG A 38 26.425 -18.809 30.194 1.00 0.00 O ATOM 550 CB ARG A 38 26.978 -17.566 27.334 1.00 0.00 C ATOM 551 CG ARG A 38 27.238 -16.109 27.680 1.00 0.00 C ATOM 552 CD ARG A 38 28.664 -15.702 27.343 1.00 0.00 C ATOM 553 NE ARG A 38 28.768 -15.129 26.003 1.00 0.00 N ATOM 554 CZ ARG A 38 28.464 -13.868 25.718 1.00 0.00 C ATOM 555 NH1 ARG A 38 28.040 -13.052 26.673 1.00 0.00 N ATOM 556 NH2 ARG A 38 28.585 -13.421 24.474 1.00 0.00 N ATOM 0 H ARG A 38 24.716 -16.626 26.952 1.00 0.00 H new ATOM 0 HA ARG A 38 25.650 -19.201 27.761 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.841 -18.161 27.633 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.884 -17.663 26.252 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.539 -15.474 27.135 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.054 -15.948 28.742 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.017 -14.976 28.076 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.316 -16.572 27.417 1.00 0.00 H new ATOM 0 HE ARG A 38 29.092 -15.730 25.245 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.946 -13.392 27.630 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.807 -12.084 26.451 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.911 -14.046 23.737 1.00 0.00 H new ATOM 0 HH22 ARG A 38 28.351 -12.453 24.255 1.00 0.00 H new ATOM 570 N ASP A 39 25.219 -16.918 30.030 1.00 0.00 N ATOM 571 CA ASP A 39 25.236 -16.653 31.464 1.00 0.00 C ATOM 572 C ASP A 39 24.028 -17.286 32.148 1.00 0.00 C ATOM 573 O ASP A 39 24.076 -17.618 33.332 1.00 0.00 O ATOM 574 CB ASP A 39 25.254 -15.146 31.725 1.00 0.00 C ATOM 575 CG ASP A 39 26.657 -14.612 31.941 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.327 -14.287 30.939 1.00 0.00 O ATOM 577 OD2 ASP A 39 27.084 -14.521 33.111 1.00 0.00 O ATOM 0 H ASP A 39 24.714 -16.224 29.479 1.00 0.00 H new ATOM 0 HA ASP A 39 26.140 -17.097 31.880 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.797 -14.629 30.881 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.645 -14.925 32.602 1.00 0.00 H new ATOM 582 N SER A 40 22.946 -17.448 31.394 1.00 0.00 N ATOM 583 CA SER A 40 21.723 -18.037 31.928 1.00 0.00 C ATOM 584 C SER A 40 21.961 -19.479 32.367 1.00 0.00 C ATOM 585 O SER A 40 21.496 -19.903 33.425 1.00 0.00 O ATOM 586 CB SER A 40 20.608 -17.988 30.882 1.00 0.00 C ATOM 587 OG SER A 40 19.623 -17.030 31.231 1.00 0.00 O ATOM 0 H SER A 40 22.891 -17.180 30.411 1.00 0.00 H new ATOM 0 HA SER A 40 21.420 -17.455 32.799 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.030 -17.742 29.907 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.147 -18.972 30.791 1.00 0.00 H new ATOM 0 HG SER A 40 18.922 -17.017 30.546 1.00 0.00 H new ATOM 593 N PHE A 41 22.689 -20.228 31.545 1.00 0.00 N ATOM 594 CA PHE A 41 22.989 -21.623 31.847 1.00 0.00 C ATOM 595 C PHE A 41 24.100 -21.728 32.887 1.00 0.00 C ATOM 596 O PHE A 41 24.023 -22.534 33.815 1.00 0.00 O ATOM 597 CB PHE A 41 23.396 -22.366 30.572 1.00 0.00 C ATOM 598 CG PHE A 41 22.245 -22.648 29.650 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.265 -23.562 30.002 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.142 -21.998 28.430 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.205 -23.824 29.154 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.084 -22.256 27.578 1.00 0.00 C ATOM 603 CZ PHE A 41 20.114 -23.170 27.942 1.00 0.00 C ATOM 0 H PHE A 41 23.082 -19.893 30.665 1.00 0.00 H new ATOM 0 HA PHE A 41 22.089 -22.082 32.256 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.142 -21.776 30.039 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.871 -23.308 30.846 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.330 -24.076 30.950 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.897 -21.282 28.142 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.449 -24.540 29.440 1.00 0.00 H new ATOM 0 HE2 PHE A 41 21.016 -21.744 26.630 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.286 -23.372 27.279 1.00 0.00 H new ATOM 613 N LEU A 42 25.133 -20.909 32.725 1.00 0.00 N ATOM 614 CA LEU A 42 26.262 -20.909 33.649 1.00 0.00 C ATOM 615 C LEU A 42 25.790 -20.709 35.085 1.00 0.00 C ATOM 616 O LEU A 42 25.974 -21.578 35.938 1.00 0.00 O ATOM 617 CB LEU A 42 27.257 -19.810 33.270 1.00 0.00 C ATOM 618 CG LEU A 42 28.243 -20.154 32.153 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.960 -18.903 31.670 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.246 -21.195 32.630 1.00 0.00 C ATOM 0 H LEU A 42 25.212 -20.236 31.962 1.00 0.00 H new ATOM 0 HA LEU A 42 26.756 -21.878 33.580 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.694 -18.925 32.971 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.826 -19.540 34.160 1.00 0.00 H new ATOM 0 HG LEU A 42 27.684 -20.573 31.317 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.658 -19.167 30.875 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.230 -18.189 31.289 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.508 -18.455 32.499 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.940 -21.428 31.823 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.800 -20.803 33.483 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.717 -22.101 32.927 1.00 0.00 H new ATOM 632 N THR A 43 25.177 -19.558 35.347 1.00 0.00 N ATOM 633 CA THR A 43 24.677 -19.245 36.680 1.00 0.00 C ATOM 634 C THR A 43 23.660 -20.281 37.143 1.00 0.00 C ATOM 635 O THR A 43 23.540 -20.556 38.337 1.00 0.00 O ATOM 636 CB THR A 43 24.026 -17.849 36.721 1.00 0.00 C ATOM 637 OG1 THR A 43 23.740 -17.482 38.075 1.00 0.00 O ATOM 638 CG2 THR A 43 22.743 -17.826 35.903 1.00 0.00 C ATOM 0 H THR A 43 25.015 -18.828 34.654 1.00 0.00 H new ATOM 0 HA THR A 43 25.536 -19.258 37.351 1.00 0.00 H new ATOM 0 HB THR A 43 24.726 -17.133 36.290 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.328 -16.593 38.093 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.301 -16.830 35.947 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.968 -18.078 34.867 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.040 -18.553 36.309 1.00 0.00 H new ATOM 646 N ALA A 44 22.931 -20.855 36.192 1.00 0.00 N ATOM 647 CA ALA A 44 21.926 -21.864 36.504 1.00 0.00 C ATOM 648 C ALA A 44 22.575 -23.141 37.028 1.00 0.00 C ATOM 649 O ALA A 44 21.925 -23.956 37.682 1.00 0.00 O ATOM 650 CB ALA A 44 21.082 -22.165 35.274 1.00 0.00 C ATOM 0 H ALA A 44 23.017 -20.639 35.199 1.00 0.00 H new ATOM 0 HA ALA A 44 21.279 -21.468 37.287 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.336 -22.920 35.521 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.582 -21.254 34.944 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.723 -22.537 34.475 1.00 0.00 H new ATOM 656 N GLY A 45 23.861 -23.309 36.737 1.00 0.00 N ATOM 657 CA GLY A 45 24.575 -24.489 37.186 1.00 0.00 C ATOM 658 C GLY A 45 25.003 -25.380 36.037 1.00 0.00 C ATOM 659 O GLY A 45 25.871 -26.239 36.197 1.00 0.00 O ATOM 0 H GLY A 45 24.421 -22.649 36.198 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.455 -24.184 37.752 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.940 -25.057 37.865 1.00 0.00 H new ATOM 663 N PHE A 46 24.392 -25.178 34.874 1.00 0.00 N ATOM 664 CA PHE A 46 24.713 -25.972 33.694 1.00 0.00 C ATOM 665 C PHE A 46 25.972 -25.447 33.011 1.00 0.00 C ATOM 666 O PHE A 46 25.903 -24.597 32.123 1.00 0.00 O ATOM 667 CB PHE A 46 23.541 -25.958 32.709 1.00 0.00 C ATOM 668 CG PHE A 46 22.210 -26.206 33.358 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.924 -27.432 33.937 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.244 -25.213 33.391 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.699 -27.664 34.534 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.017 -25.438 33.987 1.00 0.00 C ATOM 673 CZ PHE A 46 19.745 -26.665 34.560 1.00 0.00 C ATOM 0 H PHE A 46 23.672 -24.471 34.724 1.00 0.00 H new ATOM 0 HA PHE A 46 24.896 -26.997 34.016 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.515 -24.994 32.202 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.710 -26.716 31.944 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.667 -28.216 33.922 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.452 -24.251 32.946 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.488 -28.625 34.980 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.273 -24.656 34.005 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.788 -26.843 35.028 1.00 0.00 H new ATOM 683 N THR A 47 27.124 -25.960 33.433 1.00 0.00 N ATOM 684 CA THR A 47 28.400 -25.542 32.865 1.00 0.00 C ATOM 685 C THR A 47 28.886 -26.536 31.816 1.00 0.00 C ATOM 686 O THR A 47 29.647 -26.181 30.916 1.00 0.00 O ATOM 687 CB THR A 47 29.478 -25.394 33.954 1.00 0.00 C ATOM 688 OG1 THR A 47 29.647 -26.635 34.649 1.00 0.00 O ATOM 689 CG2 THR A 47 29.102 -24.300 34.943 1.00 0.00 C ATOM 0 H THR A 47 27.199 -26.665 34.166 1.00 0.00 H new ATOM 0 HA THR A 47 28.235 -24.573 32.395 1.00 0.00 H new ATOM 0 HB THR A 47 30.415 -25.119 33.471 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.336 -26.533 35.339 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.879 -24.214 35.703 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.003 -23.351 34.416 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.154 -24.550 35.420 1.00 0.00 H new ATOM 697 N SER A 48 28.442 -27.783 31.938 1.00 0.00 N ATOM 698 CA SER A 48 28.835 -28.830 31.002 1.00 0.00 C ATOM 699 C SER A 48 27.673 -29.204 30.087 1.00 0.00 C ATOM 700 O SER A 48 26.537 -29.357 30.537 1.00 0.00 O ATOM 701 CB SER A 48 29.320 -30.066 31.761 1.00 0.00 C ATOM 702 OG SER A 48 30.485 -29.777 32.515 1.00 0.00 O ATOM 0 H SER A 48 27.810 -28.093 32.676 1.00 0.00 H new ATOM 0 HA SER A 48 29.650 -28.447 30.388 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.532 -30.421 32.425 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.530 -30.871 31.056 1.00 0.00 H new ATOM 0 HG SER A 48 30.774 -30.583 32.992 1.00 0.00 H new ATOM 708 N LEU A 49 27.966 -29.351 28.799 1.00 0.00 N ATOM 709 CA LEU A 49 26.946 -29.708 27.819 1.00 0.00 C ATOM 710 C LEU A 49 26.280 -31.031 28.183 1.00 0.00 C ATOM 711 O LEU A 49 25.097 -31.234 27.915 1.00 0.00 O ATOM 712 CB LEU A 49 27.565 -29.802 26.423 1.00 0.00 C ATOM 713 CG LEU A 49 27.890 -28.472 25.742 1.00 0.00 C ATOM 714 CD1 LEU A 49 28.911 -28.676 24.633 1.00 0.00 C ATOM 715 CD2 LEU A 49 26.624 -27.831 25.192 1.00 0.00 C ATOM 0 H LEU A 49 28.901 -29.229 28.410 1.00 0.00 H new ATOM 0 HA LEU A 49 26.185 -28.928 27.821 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.483 -30.385 26.493 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.882 -30.359 25.781 1.00 0.00 H new ATOM 0 HG LEU A 49 28.320 -27.801 26.485 1.00 0.00 H new ATOM 0 HD11 LEU A 49 29.130 -27.719 24.160 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.827 -29.091 25.054 1.00 0.00 H new ATOM 0 HD13 LEU A 49 28.508 -29.365 23.890 1.00 0.00 H new ATOM 0 HD21 LEU A 49 26.874 -26.885 24.711 1.00 0.00 H new ATOM 0 HD22 LEU A 49 26.165 -28.499 24.463 1.00 0.00 H new ATOM 0 HD23 LEU A 49 25.924 -27.649 26.008 1.00 0.00 H new ATOM 727 N GLN A 50 27.048 -31.925 28.796 1.00 0.00 N ATOM 728 CA GLN A 50 26.531 -33.228 29.199 1.00 0.00 C ATOM 729 C GLN A 50 25.295 -33.075 30.078 1.00 0.00 C ATOM 730 O GLN A 50 24.440 -33.960 30.125 1.00 0.00 O ATOM 731 CB GLN A 50 27.607 -34.019 29.944 1.00 0.00 C ATOM 732 CG GLN A 50 27.144 -35.392 30.403 1.00 0.00 C ATOM 733 CD GLN A 50 28.238 -36.172 31.106 1.00 0.00 C ATOM 734 OE1 GLN A 50 28.497 -37.331 30.781 1.00 0.00 O ATOM 735 NE2 GLN A 50 28.887 -35.538 32.076 1.00 0.00 N ATOM 0 H GLN A 50 28.030 -31.772 29.025 1.00 0.00 H new ATOM 0 HA GLN A 50 26.248 -33.773 28.298 1.00 0.00 H new ATOM 0 HB2 GLN A 50 28.475 -34.136 29.295 1.00 0.00 H new ATOM 0 HB3 GLN A 50 27.932 -33.445 30.812 1.00 0.00 H new ATOM 0 HG2 GLN A 50 26.294 -35.278 31.076 1.00 0.00 H new ATOM 0 HG3 GLN A 50 26.794 -35.960 29.541 1.00 0.00 H new ATOM 0 HE21 GLN A 50 28.639 -34.577 32.312 1.00 0.00 H new ATOM 0 HE22 GLN A 50 29.633 -36.012 32.585 1.00 0.00 H new ATOM 744 N LEU A 51 25.206 -31.947 30.774 1.00 0.00 N ATOM 745 CA LEU A 51 24.073 -31.677 31.653 1.00 0.00 C ATOM 746 C LEU A 51 22.927 -31.032 30.882 1.00 0.00 C ATOM 747 O LEU A 51 21.757 -31.218 31.217 1.00 0.00 O ATOM 748 CB LEU A 51 24.503 -30.769 32.806 1.00 0.00 C ATOM 749 CG LEU A 51 25.650 -31.284 33.676 1.00 0.00 C ATOM 750 CD1 LEU A 51 26.012 -30.263 34.743 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.279 -32.616 34.313 1.00 0.00 C ATOM 0 H LEU A 51 25.905 -31.204 30.747 1.00 0.00 H new ATOM 0 HA LEU A 51 23.724 -32.627 32.058 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.793 -29.803 32.392 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.638 -30.595 33.446 1.00 0.00 H new ATOM 0 HG LEU A 51 26.522 -31.438 33.040 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.830 -30.648 35.352 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.321 -29.333 34.266 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.145 -30.076 35.377 1.00 0.00 H new ATOM 0 HD21 LEU A 51 26.107 -32.968 34.929 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.393 -32.488 34.935 1.00 0.00 H new ATOM 0 HD23 LEU A 51 25.071 -33.347 33.532 1.00 0.00 H new ATOM 763 N VAL A 52 23.270 -30.273 29.846 1.00 0.00 N ATOM 764 CA VAL A 52 22.270 -29.603 29.024 1.00 0.00 C ATOM 765 C VAL A 52 21.542 -30.595 28.125 1.00 0.00 C ATOM 766 O VAL A 52 20.390 -30.380 27.747 1.00 0.00 O ATOM 767 CB VAL A 52 22.905 -28.505 28.150 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.852 -27.840 27.277 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.616 -27.478 29.018 1.00 0.00 C ATOM 0 H VAL A 52 24.234 -30.107 29.556 1.00 0.00 H new ATOM 0 HA VAL A 52 21.555 -29.145 29.708 1.00 0.00 H new ATOM 0 HB VAL A 52 23.644 -28.968 27.496 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.320 -27.067 26.667 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.393 -28.586 26.628 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.087 -27.389 27.909 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.059 -26.710 28.384 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.899 -27.018 29.699 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.400 -27.969 29.594 1.00 0.00 H new ATOM 779 N THR A 53 22.221 -31.686 27.785 1.00 0.00 N ATOM 780 CA THR A 53 21.640 -32.713 26.929 1.00 0.00 C ATOM 781 C THR A 53 20.422 -33.352 27.587 1.00 0.00 C ATOM 782 O THR A 53 19.543 -33.878 26.906 1.00 0.00 O ATOM 783 CB THR A 53 22.665 -33.813 26.596 1.00 0.00 C ATOM 784 OG1 THR A 53 23.194 -34.373 27.803 1.00 0.00 O ATOM 785 CG2 THR A 53 23.800 -33.256 25.750 1.00 0.00 C ATOM 0 H THR A 53 23.175 -31.881 28.090 1.00 0.00 H new ATOM 0 HA THR A 53 21.335 -32.220 26.006 1.00 0.00 H new ATOM 0 HB THR A 53 22.157 -34.592 26.028 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.569 -33.658 28.358 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.512 -34.051 25.527 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.398 -32.857 24.819 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.305 -32.460 26.297 1.00 0.00 H new ATOM 793 N GLN A 54 20.378 -33.303 28.915 1.00 0.00 N ATOM 794 CA GLN A 54 19.267 -33.877 29.663 1.00 0.00 C ATOM 795 C GLN A 54 18.292 -32.792 30.110 1.00 0.00 C ATOM 796 O GLN A 54 17.580 -32.954 31.101 1.00 0.00 O ATOM 797 CB GLN A 54 19.787 -34.645 30.880 1.00 0.00 C ATOM 798 CG GLN A 54 20.968 -35.550 30.570 1.00 0.00 C ATOM 799 CD GLN A 54 21.314 -36.473 31.721 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.443 -36.878 32.491 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.592 -36.813 31.844 1.00 0.00 N ATOM 0 H GLN A 54 21.099 -32.872 29.494 1.00 0.00 H new ATOM 0 HA GLN A 54 18.737 -34.567 29.006 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.079 -33.932 31.651 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.977 -35.247 31.292 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.741 -36.147 29.686 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.836 -34.937 30.327 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.281 -36.454 31.183 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.884 -37.433 32.599 1.00 0.00 H new ATOM 810 N MET A 55 18.267 -31.687 29.372 1.00 0.00 N ATOM 811 CA MET A 55 17.378 -30.576 29.692 1.00 0.00 C ATOM 812 C MET A 55 16.182 -30.546 28.746 1.00 0.00 C ATOM 813 O MET A 55 16.141 -31.278 27.757 1.00 0.00 O ATOM 814 CB MET A 55 18.137 -29.250 29.616 1.00 0.00 C ATOM 815 CG MET A 55 19.169 -29.076 30.719 1.00 0.00 C ATOM 816 SD MET A 55 18.421 -28.945 32.355 1.00 0.00 S ATOM 817 CE MET A 55 18.743 -30.582 33.006 1.00 0.00 C ATOM 0 H MET A 55 18.851 -31.537 28.549 1.00 0.00 H new ATOM 0 HA MET A 55 17.011 -30.719 30.708 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.636 -29.181 28.649 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.422 -28.428 29.665 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.857 -29.922 30.705 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.760 -28.182 30.521 1.00 0.00 H new ATOM 0 HE1 MET A 55 17.826 -31.171 32.979 1.00 0.00 H new ATOM 0 HE2 MET A 55 19.506 -31.071 32.401 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.092 -30.502 34.035 1.00 0.00 H new ATOM 827 N THR A 56 15.210 -29.694 29.055 1.00 0.00 N ATOM 828 CA THR A 56 14.013 -29.569 28.233 1.00 0.00 C ATOM 829 C THR A 56 13.553 -28.118 28.147 1.00 0.00 C ATOM 830 O THR A 56 14.096 -27.244 28.823 1.00 0.00 O ATOM 831 CB THR A 56 12.860 -30.429 28.785 1.00 0.00 C ATOM 832 OG1 THR A 56 11.776 -30.453 27.850 1.00 0.00 O ATOM 833 CG2 THR A 56 12.374 -29.889 30.121 1.00 0.00 C ATOM 0 H THR A 56 15.228 -29.080 29.869 1.00 0.00 H new ATOM 0 HA THR A 56 14.276 -29.923 27.236 1.00 0.00 H new ATOM 0 HB THR A 56 13.231 -31.443 28.935 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.048 -31.003 28.207 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.560 -30.512 30.491 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.195 -29.900 30.838 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.019 -28.867 29.993 1.00 0.00 H new ATOM 841 N SER A 57 12.548 -27.869 27.313 1.00 0.00 N ATOM 842 CA SER A 57 12.017 -26.522 27.137 1.00 0.00 C ATOM 843 C SER A 57 11.665 -25.897 28.484 1.00 0.00 C ATOM 844 O SER A 57 11.859 -24.700 28.693 1.00 0.00 O ATOM 845 CB SER A 57 10.781 -26.553 26.237 1.00 0.00 C ATOM 846 OG SER A 57 9.977 -25.403 26.436 1.00 0.00 O ATOM 0 H SER A 57 12.085 -28.582 26.749 1.00 0.00 H new ATOM 0 HA SER A 57 12.787 -25.913 26.664 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.089 -26.609 25.193 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.197 -27.449 26.446 1.00 0.00 H new ATOM 0 HG SER A 57 9.194 -25.446 25.848 1.00 0.00 H new ATOM 852 N GLU A 58 11.147 -26.717 29.393 1.00 0.00 N ATOM 853 CA GLU A 58 10.767 -26.245 30.719 1.00 0.00 C ATOM 854 C GLU A 58 11.977 -25.691 31.467 1.00 0.00 C ATOM 855 O GLU A 58 11.858 -24.751 32.252 1.00 0.00 O ATOM 856 CB GLU A 58 10.130 -27.378 31.525 1.00 0.00 C ATOM 857 CG GLU A 58 8.847 -27.915 30.912 1.00 0.00 C ATOM 858 CD GLU A 58 7.942 -28.573 31.935 1.00 0.00 C ATOM 859 OE1 GLU A 58 7.819 -28.030 33.053 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.357 -29.629 31.618 1.00 0.00 O ATOM 0 H GLU A 58 10.981 -27.711 29.235 1.00 0.00 H new ATOM 0 HA GLU A 58 10.039 -25.443 30.596 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.847 -28.194 31.619 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.919 -27.021 32.533 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.310 -27.098 30.429 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.095 -28.637 30.134 1.00 0.00 H new ATOM 867 N ASP A 59 13.140 -26.283 31.217 1.00 0.00 N ATOM 868 CA ASP A 59 14.372 -25.850 31.866 1.00 0.00 C ATOM 869 C ASP A 59 14.816 -24.490 31.337 1.00 0.00 C ATOM 870 O ASP A 59 15.494 -23.732 32.032 1.00 0.00 O ATOM 871 CB ASP A 59 15.479 -26.883 31.646 1.00 0.00 C ATOM 872 CG ASP A 59 15.211 -28.183 32.378 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.825 -28.128 33.565 1.00 0.00 O ATOM 874 OD2 ASP A 59 15.387 -29.256 31.764 1.00 0.00 O ATOM 0 H ASP A 59 13.255 -27.063 30.570 1.00 0.00 H new ATOM 0 HA ASP A 59 14.178 -25.758 32.935 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.578 -27.084 30.579 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.430 -26.469 31.982 1.00 0.00 H new ATOM 879 N LEU A 60 14.430 -24.186 30.103 1.00 0.00 N ATOM 880 CA LEU A 60 14.789 -22.917 29.479 1.00 0.00 C ATOM 881 C LEU A 60 13.994 -21.767 30.088 1.00 0.00 C ATOM 882 O LEU A 60 14.514 -20.665 30.269 1.00 0.00 O ATOM 883 CB LEU A 60 14.542 -22.980 27.971 1.00 0.00 C ATOM 884 CG LEU A 60 14.889 -24.304 27.288 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.607 -24.225 25.796 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.346 -24.667 27.539 1.00 0.00 C ATOM 0 H LEU A 60 13.868 -24.801 29.514 1.00 0.00 H new ATOM 0 HA LEU A 60 15.849 -22.738 29.660 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.490 -22.764 27.786 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.119 -22.187 27.495 1.00 0.00 H new ATOM 0 HG LEU A 60 14.261 -25.087 27.714 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.860 -25.176 25.327 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.550 -24.011 25.636 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.209 -23.431 25.354 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.576 -25.612 27.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.990 -23.883 27.140 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.517 -24.766 28.611 1.00 0.00 H new ATOM 898 N LEU A 61 12.731 -22.031 30.405 1.00 0.00 N ATOM 899 CA LEU A 61 11.863 -21.018 30.997 1.00 0.00 C ATOM 900 C LEU A 61 12.208 -20.797 32.467 1.00 0.00 C ATOM 901 O LEU A 61 11.862 -19.769 33.048 1.00 0.00 O ATOM 902 CB LEU A 61 10.397 -21.433 30.862 1.00 0.00 C ATOM 903 CG LEU A 61 9.703 -21.030 29.561 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.293 -22.263 28.770 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.492 -20.154 29.851 1.00 0.00 C ATOM 0 H LEU A 61 12.285 -22.937 30.262 1.00 0.00 H new ATOM 0 HA LEU A 61 12.020 -20.082 30.461 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.336 -22.517 30.962 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.840 -21.004 31.695 1.00 0.00 H new ATOM 0 HG LEU A 61 10.407 -20.455 28.960 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.801 -21.956 27.847 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.178 -22.852 28.530 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.606 -22.865 29.365 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.011 -19.877 28.913 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.786 -20.704 30.473 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.812 -19.253 30.375 1.00 0.00 H new ATOM 917 N ARG A 62 12.893 -21.769 33.061 1.00 0.00 N ATOM 918 CA ARG A 62 13.286 -21.680 34.462 1.00 0.00 C ATOM 919 C ARG A 62 14.453 -20.714 34.639 1.00 0.00 C ATOM 920 O ARG A 62 14.513 -19.970 35.619 1.00 0.00 O ATOM 921 CB ARG A 62 13.668 -23.062 34.995 1.00 0.00 C ATOM 922 CG ARG A 62 12.503 -24.036 35.055 1.00 0.00 C ATOM 923 CD ARG A 62 12.136 -24.378 36.490 1.00 0.00 C ATOM 924 NE ARG A 62 11.212 -23.404 37.066 1.00 0.00 N ATOM 925 CZ ARG A 62 10.544 -23.604 38.196 1.00 0.00 C ATOM 926 NH1 ARG A 62 10.697 -24.736 38.869 1.00 0.00 N ATOM 927 NH2 ARG A 62 9.721 -22.670 38.656 1.00 0.00 N ATOM 0 H ARG A 62 13.187 -22.627 32.594 1.00 0.00 H new ATOM 0 HA ARG A 62 12.435 -21.302 35.029 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.450 -23.483 34.362 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.091 -22.953 35.994 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.639 -23.603 34.551 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.762 -24.948 34.517 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.684 -25.369 36.522 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.041 -24.421 37.095 1.00 0.00 H new ATOM 0 HE ARG A 62 11.072 -22.522 36.573 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.329 -25.456 38.519 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.183 -24.887 39.737 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.601 -21.798 38.141 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.208 -22.825 39.524 1.00 0.00 H new ATOM 941 N ILE A 63 15.379 -20.731 33.686 1.00 0.00 N ATOM 942 CA ILE A 63 16.544 -19.856 33.738 1.00 0.00 C ATOM 943 C ILE A 63 16.204 -18.458 33.232 1.00 0.00 C ATOM 944 O ILE A 63 16.841 -17.477 33.613 1.00 0.00 O ATOM 945 CB ILE A 63 17.710 -20.422 32.905 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.332 -20.468 31.423 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.092 -21.808 33.403 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.462 -20.920 30.525 1.00 0.00 C ATOM 0 H ILE A 63 15.345 -21.341 32.869 1.00 0.00 H new ATOM 0 HA ILE A 63 16.849 -19.797 34.783 1.00 0.00 H new ATOM 0 HB ILE A 63 18.572 -19.765 33.020 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.484 -21.141 31.293 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.003 -19.477 31.109 1.00 0.00 H new ATOM 0 HG21 ILE A 63 18.917 -22.195 32.805 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.398 -21.748 34.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.235 -22.476 33.314 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.122 -20.929 29.489 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.303 -20.234 30.625 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.776 -21.924 30.812 1.00 0.00 H new ATOM 960 N GLY A 64 15.194 -18.375 32.371 1.00 0.00 N ATOM 961 CA GLY A 64 14.785 -17.093 31.828 1.00 0.00 C ATOM 962 C GLY A 64 14.319 -17.195 30.390 1.00 0.00 C ATOM 963 O GLY A 64 13.376 -16.513 29.986 1.00 0.00 O ATOM 0 H GLY A 64 14.652 -19.173 32.040 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.981 -16.683 32.439 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.619 -16.394 31.888 1.00 0.00 H new ATOM 967 N ILE A 65 14.981 -18.046 29.614 1.00 0.00 N ATOM 968 CA ILE A 65 14.628 -18.233 28.212 1.00 0.00 C ATOM 969 C ILE A 65 13.141 -18.527 28.053 1.00 0.00 C ATOM 970 O ILE A 65 12.685 -19.643 28.308 1.00 0.00 O ATOM 971 CB ILE A 65 15.437 -19.380 27.576 1.00 0.00 C ATOM 972 CG1 ILE A 65 16.937 -19.098 27.687 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.034 -19.569 26.121 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.800 -20.318 27.455 1.00 0.00 C ATOM 0 H ILE A 65 15.764 -18.617 29.932 1.00 0.00 H new ATOM 0 HA ILE A 65 14.868 -17.301 27.700 1.00 0.00 H new ATOM 0 HB ILE A 65 15.219 -20.302 28.116 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.208 -18.328 26.964 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.150 -18.695 28.677 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.614 -20.383 25.686 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.972 -19.810 26.066 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.226 -18.650 25.568 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.851 -20.044 27.549 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.557 -21.082 28.194 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.615 -20.709 26.455 1.00 0.00 H new ATOM 986 N THR A 66 12.386 -17.518 27.629 1.00 0.00 N ATOM 987 CA THR A 66 10.949 -17.667 27.435 1.00 0.00 C ATOM 988 C THR A 66 10.566 -17.456 25.975 1.00 0.00 C ATOM 989 O THR A 66 9.486 -17.859 25.541 1.00 0.00 O ATOM 990 CB THR A 66 10.158 -16.676 28.310 1.00 0.00 C ATOM 991 OG1 THR A 66 10.716 -15.363 28.189 1.00 0.00 O ATOM 992 CG2 THR A 66 10.177 -17.108 29.769 1.00 0.00 C ATOM 0 H THR A 66 12.746 -16.588 27.413 1.00 0.00 H new ATOM 0 HA THR A 66 10.694 -18.685 27.731 1.00 0.00 H new ATOM 0 HB THR A 66 9.124 -16.665 27.964 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.207 -14.738 28.747 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.612 -16.393 30.367 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.726 -18.096 29.862 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.207 -17.145 30.124 1.00 0.00 H new ATOM 1000 N LEU A 67 11.457 -16.823 25.221 1.00 0.00 N ATOM 1001 CA LEU A 67 11.213 -16.558 23.807 1.00 0.00 C ATOM 1002 C LEU A 67 10.892 -17.849 23.059 1.00 0.00 C ATOM 1003 O LEU A 67 11.768 -18.684 22.839 1.00 0.00 O ATOM 1004 CB LEU A 67 12.430 -15.880 23.177 1.00 0.00 C ATOM 1005 CG LEU A 67 12.554 -14.373 23.409 1.00 0.00 C ATOM 1006 CD1 LEU A 67 11.341 -13.646 22.850 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.720 -14.074 24.892 1.00 0.00 C ATOM 0 H LEU A 67 12.355 -16.483 25.565 1.00 0.00 H new ATOM 0 HA LEU A 67 10.354 -15.892 23.731 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.329 -16.362 23.562 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.406 -16.061 22.102 1.00 0.00 H new ATOM 0 HG LEU A 67 13.440 -14.015 22.885 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.446 -12.575 23.024 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.266 -13.834 21.779 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.440 -14.007 23.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.807 -12.997 25.039 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.853 -14.446 25.437 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.620 -14.564 25.264 1.00 0.00 H new ATOM 1019 N ALA A 68 9.631 -18.003 22.669 1.00 0.00 N ATOM 1020 CA ALA A 68 9.195 -19.189 21.943 1.00 0.00 C ATOM 1021 C ALA A 68 10.040 -19.408 20.692 1.00 0.00 C ATOM 1022 O ALA A 68 10.184 -20.533 20.218 1.00 0.00 O ATOM 1023 CB ALA A 68 7.724 -19.072 21.574 1.00 0.00 C ATOM 0 H ALA A 68 8.893 -17.321 22.844 1.00 0.00 H new ATOM 0 HA ALA A 68 9.327 -20.052 22.595 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.413 -19.965 21.032 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.128 -18.972 22.481 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.576 -18.195 20.944 1.00 0.00 H new ATOM 1029 N GLY A 69 10.596 -18.322 20.162 1.00 0.00 N ATOM 1030 CA GLY A 69 11.419 -18.417 18.970 1.00 0.00 C ATOM 1031 C GLY A 69 12.843 -18.834 19.280 1.00 0.00 C ATOM 1032 O GLY A 69 13.555 -19.333 18.409 1.00 0.00 O ATOM 0 H GLY A 69 10.491 -17.379 20.537 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.975 -19.136 18.282 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.429 -17.453 18.461 1.00 0.00 H new ATOM 1036 N HIS A 70 13.261 -18.626 20.525 1.00 0.00 N ATOM 1037 CA HIS A 70 14.611 -18.983 20.948 1.00 0.00 C ATOM 1038 C HIS A 70 14.659 -20.421 21.454 1.00 0.00 C ATOM 1039 O HIS A 70 15.658 -21.117 21.275 1.00 0.00 O ATOM 1040 CB HIS A 70 15.094 -18.029 22.041 1.00 0.00 C ATOM 1041 CG HIS A 70 15.494 -16.681 21.525 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.373 -15.525 22.268 1.00 0.00 N ATOM 1043 CD2 HIS A 70 16.018 -16.308 20.334 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.804 -14.500 21.555 1.00 0.00 C ATOM 1045 NE2 HIS A 70 16.201 -14.948 20.377 1.00 0.00 N ATOM 0 H HIS A 70 12.685 -18.212 21.258 1.00 0.00 H new ATOM 0 HA HIS A 70 15.271 -18.898 20.084 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.302 -17.906 22.780 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.943 -18.479 22.555 1.00 0.00 H new ATOM 0 HD2 HIS A 70 16.249 -16.959 19.504 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.828 -13.470 21.880 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.581 -14.377 19.623 1.00 0.00 H new ATOM 1053 N GLN A 71 13.575 -20.859 22.085 1.00 0.00 N ATOM 1054 CA GLN A 71 13.496 -22.214 22.617 1.00 0.00 C ATOM 1055 C GLN A 71 13.436 -23.239 21.490 1.00 0.00 C ATOM 1056 O GLN A 71 13.939 -24.355 21.624 1.00 0.00 O ATOM 1057 CB GLN A 71 12.269 -22.359 23.520 1.00 0.00 C ATOM 1058 CG GLN A 71 12.315 -21.475 24.756 1.00 0.00 C ATOM 1059 CD GLN A 71 10.934 -21.136 25.282 1.00 0.00 C ATOM 1060 OE1 GLN A 71 9.953 -21.148 24.538 1.00 0.00 O ATOM 1061 NE2 GLN A 71 10.851 -20.831 26.572 1.00 0.00 N ATOM 0 H GLN A 71 12.739 -20.295 22.240 1.00 0.00 H new ATOM 0 HA GLN A 71 14.395 -22.400 23.204 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.375 -22.119 22.945 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.178 -23.400 23.831 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.884 -21.979 25.537 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.846 -20.553 24.519 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.690 -20.834 27.152 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.948 -20.594 26.983 1.00 0.00 H new ATOM 1070 N LYS A 72 12.819 -22.853 20.378 1.00 0.00 N ATOM 1071 CA LYS A 72 12.694 -23.738 19.226 1.00 0.00 C ATOM 1072 C LYS A 72 14.066 -24.100 18.666 1.00 0.00 C ATOM 1073 O LYS A 72 14.250 -25.172 18.090 1.00 0.00 O ATOM 1074 CB LYS A 72 11.846 -23.075 18.138 1.00 0.00 C ATOM 1075 CG LYS A 72 10.644 -23.901 17.715 1.00 0.00 C ATOM 1076 CD LYS A 72 9.344 -23.141 17.922 1.00 0.00 C ATOM 1077 CE LYS A 72 8.908 -22.428 16.651 1.00 0.00 C ATOM 1078 NZ LYS A 72 8.054 -23.296 15.794 1.00 0.00 N ATOM 0 H LYS A 72 12.398 -21.933 20.250 1.00 0.00 H new ATOM 0 HA LYS A 72 12.202 -24.654 19.554 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.501 -22.106 18.498 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.472 -22.887 17.266 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.742 -24.177 16.665 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.619 -24.829 18.287 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.563 -23.833 18.239 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.470 -22.414 18.724 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.360 -21.523 16.912 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.788 -22.116 16.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.778 -22.774 14.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.586 -24.148 15.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.201 -23.573 16.321 1.00 0.00 H new ATOM 1092 N LYS A 73 15.027 -23.199 18.841 1.00 0.00 N ATOM 1093 CA LYS A 73 16.384 -23.424 18.356 1.00 0.00 C ATOM 1094 C LYS A 73 17.177 -24.281 19.338 1.00 0.00 C ATOM 1095 O LYS A 73 17.846 -25.236 18.942 1.00 0.00 O ATOM 1096 CB LYS A 73 17.097 -22.088 18.137 1.00 0.00 C ATOM 1097 CG LYS A 73 18.534 -22.235 17.668 1.00 0.00 C ATOM 1098 CD LYS A 73 18.923 -21.127 16.704 1.00 0.00 C ATOM 1099 CE LYS A 73 19.989 -21.590 15.723 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.951 -20.812 14.454 1.00 0.00 N ATOM 0 H LYS A 73 14.891 -22.306 19.315 1.00 0.00 H new ATOM 0 HA LYS A 73 16.321 -23.955 17.406 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.542 -21.506 17.402 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.084 -21.522 19.068 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.202 -22.220 18.529 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.662 -23.202 17.182 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.042 -20.795 16.155 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.292 -20.268 17.265 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.973 -21.489 16.181 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.846 -22.648 15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.693 -21.158 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.021 -20.928 14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.113 -19.805 14.659 1.00 0.00 H new ATOM 1114 N ILE A 74 17.098 -23.933 20.618 1.00 0.00 N ATOM 1115 CA ILE A 74 17.807 -24.672 21.655 1.00 0.00 C ATOM 1116 C ILE A 74 17.400 -26.142 21.658 1.00 0.00 C ATOM 1117 O ILE A 74 18.238 -27.030 21.492 1.00 0.00 O ATOM 1118 CB ILE A 74 17.545 -24.076 23.051 1.00 0.00 C ATOM 1119 CG1 ILE A 74 17.975 -22.608 23.090 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.278 -24.877 24.116 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.370 -21.832 24.240 1.00 0.00 C ATOM 0 H ILE A 74 16.550 -23.144 20.962 1.00 0.00 H new ATOM 0 HA ILE A 74 18.870 -24.592 21.428 1.00 0.00 H new ATOM 0 HB ILE A 74 16.476 -24.128 23.258 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.062 -22.558 23.160 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.693 -22.130 22.152 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.083 -24.443 25.097 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.928 -25.909 24.100 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.349 -24.854 23.916 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.718 -20.800 24.205 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.283 -21.851 24.160 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.672 -22.285 25.184 1.00 0.00 H new ATOM 1133 N LEU A 75 16.109 -26.392 21.847 1.00 0.00 N ATOM 1134 CA LEU A 75 15.590 -27.755 21.870 1.00 0.00 C ATOM 1135 C LEU A 75 16.020 -28.523 20.625 1.00 0.00 C ATOM 1136 O LEU A 75 16.424 -29.683 20.707 1.00 0.00 O ATOM 1137 CB LEU A 75 14.063 -27.738 21.970 1.00 0.00 C ATOM 1138 CG LEU A 75 13.478 -27.000 23.174 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.136 -26.379 22.819 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.334 -27.943 24.360 1.00 0.00 C ATOM 0 H LEU A 75 15.403 -25.669 21.986 1.00 0.00 H new ATOM 0 HA LEU A 75 16.001 -28.259 22.745 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.664 -27.285 21.062 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.709 -28.769 21.994 1.00 0.00 H new ATOM 0 HG LEU A 75 14.163 -26.200 23.453 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.735 -25.858 23.688 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.268 -25.671 22.001 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.442 -27.162 22.513 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.916 -27.400 25.208 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.670 -28.765 24.093 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.313 -28.340 24.630 1.00 0.00 H new ATOM 1152 N ASN A 76 15.934 -27.867 19.472 1.00 0.00 N ATOM 1153 CA ASN A 76 16.316 -28.488 18.209 1.00 0.00 C ATOM 1154 C ASN A 76 17.763 -28.970 18.256 1.00 0.00 C ATOM 1155 O ASN A 76 18.138 -29.912 17.558 1.00 0.00 O ATOM 1156 CB ASN A 76 16.133 -27.501 17.055 1.00 0.00 C ATOM 1157 CG ASN A 76 14.782 -27.644 16.380 1.00 0.00 C ATOM 1158 OD1 ASN A 76 14.688 -27.661 15.153 1.00 0.00 O ATOM 1159 ND2 ASN A 76 13.729 -27.749 17.182 1.00 0.00 N ATOM 0 H ASN A 76 15.603 -26.906 19.386 1.00 0.00 H new ATOM 0 HA ASN A 76 15.669 -29.350 18.046 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.243 -26.483 17.430 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.922 -27.656 16.319 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.794 -27.849 16.786 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.855 -27.730 18.194 1.00 0.00 H new ATOM 1166 N SER A 77 18.572 -28.316 19.084 1.00 0.00 N ATOM 1167 CA SER A 77 19.979 -28.675 19.220 1.00 0.00 C ATOM 1168 C SER A 77 20.171 -29.710 20.324 1.00 0.00 C ATOM 1169 O SER A 77 20.885 -30.698 20.147 1.00 0.00 O ATOM 1170 CB SER A 77 20.818 -27.431 19.519 1.00 0.00 C ATOM 1171 OG SER A 77 22.081 -27.503 18.881 1.00 0.00 O ATOM 0 H SER A 77 18.277 -27.535 19.670 1.00 0.00 H new ATOM 0 HA SER A 77 20.311 -29.110 18.277 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.287 -26.541 19.182 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.956 -27.332 20.596 1.00 0.00 H new ATOM 0 HG SER A 77 22.247 -26.672 18.389 1.00 0.00 H new ATOM 1177 N ILE A 78 19.530 -29.476 21.464 1.00 0.00 N ATOM 1178 CA ILE A 78 19.629 -30.387 22.597 1.00 0.00 C ATOM 1179 C ILE A 78 19.130 -31.780 22.227 1.00 0.00 C ATOM 1180 O ILE A 78 19.764 -32.785 22.551 1.00 0.00 O ATOM 1181 CB ILE A 78 18.827 -29.871 23.806 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.326 -28.486 24.224 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.931 -30.849 24.967 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.495 -27.848 25.315 1.00 0.00 C ATOM 0 H ILE A 78 18.936 -28.663 21.627 1.00 0.00 H new ATOM 0 HA ILE A 78 20.684 -30.441 22.868 1.00 0.00 H new ATOM 0 HB ILE A 78 17.779 -29.788 23.519 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.358 -28.568 24.566 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.330 -27.832 23.352 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.359 -30.470 25.814 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.533 -31.817 24.664 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.976 -30.961 25.256 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.907 -26.869 25.561 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.467 -27.733 24.970 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.511 -28.481 26.202 1.00 0.00 H new ATOM 1196 N HIS A 79 17.990 -31.833 21.546 1.00 0.00 N ATOM 1197 CA HIS A 79 17.406 -33.103 21.129 1.00 0.00 C ATOM 1198 C HIS A 79 18.356 -33.861 20.207 1.00 0.00 C ATOM 1199 O HIS A 79 18.316 -35.089 20.131 1.00 0.00 O ATOM 1200 CB HIS A 79 16.071 -32.868 20.423 1.00 0.00 C ATOM 1201 CG HIS A 79 15.024 -33.882 20.768 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.676 -33.669 20.571 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.133 -35.122 21.300 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.001 -34.733 20.967 1.00 0.00 C ATOM 1205 NE2 HIS A 79 13.863 -35.630 21.414 1.00 0.00 N ATOM 0 H HIS A 79 17.452 -31.011 21.271 1.00 0.00 H new ATOM 0 HA HIS A 79 17.235 -33.706 22.021 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.703 -31.875 20.681 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.233 -32.877 19.345 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.049 -35.619 21.582 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.928 -34.850 20.932 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.623 -36.550 21.784 1.00 0.00 H new ATOM 1213 N SER A 80 19.210 -33.120 19.507 1.00 0.00 N ATOM 1214 CA SER A 80 20.167 -33.722 18.586 1.00 0.00 C ATOM 1215 C SER A 80 21.477 -34.044 19.298 1.00 0.00 C ATOM 1216 O SER A 80 22.208 -34.949 18.895 1.00 0.00 O ATOM 1217 CB SER A 80 20.432 -32.783 17.407 1.00 0.00 C ATOM 1218 OG SER A 80 19.460 -32.956 16.389 1.00 0.00 O ATOM 0 H SER A 80 19.258 -32.103 19.560 1.00 0.00 H new ATOM 0 HA SER A 80 19.739 -34.652 18.212 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.422 -31.749 17.752 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.426 -32.974 17.002 1.00 0.00 H new ATOM 0 HG SER A 80 19.650 -32.344 15.648 1.00 0.00 H new ATOM 1224 N MET A 81 21.766 -33.297 20.358 1.00 0.00 N ATOM 1225 CA MET A 81 22.987 -33.504 21.128 1.00 0.00 C ATOM 1226 C MET A 81 22.937 -34.829 21.882 1.00 0.00 C ATOM 1227 O MET A 81 23.846 -35.652 21.772 1.00 0.00 O ATOM 1228 CB MET A 81 23.197 -32.351 22.112 1.00 0.00 C ATOM 1229 CG MET A 81 24.370 -31.453 21.755 1.00 0.00 C ATOM 1230 SD MET A 81 25.150 -30.720 23.206 1.00 0.00 S ATOM 1231 CE MET A 81 24.010 -29.385 23.565 1.00 0.00 C ATOM 0 H MET A 81 21.172 -32.543 20.703 1.00 0.00 H new ATOM 0 HA MET A 81 23.825 -33.535 20.431 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.289 -31.749 22.153 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.354 -32.760 23.110 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.110 -32.031 21.202 1.00 0.00 H new ATOM 0 HG3 MET A 81 24.026 -30.659 21.092 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.074 -29.127 24.622 1.00 0.00 H new ATOM 0 HE2 MET A 81 24.268 -28.514 22.962 1.00 0.00 H new ATOM 0 HE3 MET A 81 22.994 -29.701 23.329 1.00 0.00 H new ATOM 1241 N ARG A 82 21.870 -35.028 22.649 1.00 0.00 N ATOM 1242 CA ARG A 82 21.703 -36.252 23.422 1.00 0.00 C ATOM 1243 C ARG A 82 21.803 -37.481 22.523 1.00 0.00 C ATOM 1244 O ARG A 82 22.482 -38.453 22.856 1.00 0.00 O ATOM 1245 CB ARG A 82 20.354 -36.244 24.145 1.00 0.00 C ATOM 1246 CG ARG A 82 19.173 -35.980 23.226 1.00 0.00 C ATOM 1247 CD ARG A 82 17.930 -35.594 24.013 1.00 0.00 C ATOM 1248 NE ARG A 82 17.500 -36.660 24.914 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.354 -36.635 25.587 1.00 0.00 C ATOM 1250 NH1 ARG A 82 15.530 -35.605 25.461 1.00 0.00 N ATOM 1251 NH2 ARG A 82 16.032 -37.643 26.388 1.00 0.00 N ATOM 0 H ARG A 82 21.109 -34.357 22.751 1.00 0.00 H new ATOM 0 HA ARG A 82 22.503 -36.297 24.161 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.211 -37.204 24.640 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.374 -35.483 24.925 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.425 -35.182 22.528 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.967 -36.870 22.632 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.132 -34.691 24.590 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.122 -35.356 23.321 1.00 0.00 H new ATOM 0 HE ARG A 82 18.112 -37.467 25.033 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.774 -34.829 24.846 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.651 -35.589 25.979 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.664 -38.437 26.487 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.152 -37.623 26.904 1.00 0.00 H new