USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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 47 LYS NZ :NH3+ 179:sc= 1.12 (180deg=0.624) USER MOD Set 1.2: A 91 SER OG : rot -160:sc= 0.47 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.312 K(o=0.31,f=-3.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= -0.183 (180deg=-1.04!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 76:sc= 1.09 USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.152 (180deg=-0.842) USER MOD Single : A 40 THR OG1 : rot 140:sc= -0.0506 USER MOD Single : A 54 SER OG : rot 27:sc= 0.0255 USER MOD Single : A 61 SER OG : rot 120:sc= 1.31 USER MOD Single : A 62 ASN : amide:sc= -2.19 K(o=-2.2,f=-0.43) USER MOD Single : A 63 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.65) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0.444 (180deg=0.41) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 1.28 (180deg=0.983) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -2.11! K(o=-2.1!,f=0) USER MOD Single : A 78 THR OG1 : rot 66:sc= 1.25 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.143 X(o=0.14,f=-0.068) USER MOD Single : A 86 ASN : amide:sc= 0.0552 X(o=0.055,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -159:sc= -0.133 (180deg=-0.682) USER MOD Single : A 93 LYS NZ :NH3+ -156:sc= 1.08 (180deg=0.722) USER MOD Single : A 94 CYS SG : rot 125:sc= 0.843 USER MOD Single : A 95 HIS : no HD1:sc= -2.33! K(o=-2.3!,f=-0.63) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 100 TYR OH : rot 83:sc= 0.627 USER MOD Single : A 102 LYS NZ :NH3+ -157:sc= 0.853 (180deg=-0.584!) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 1.935 14.679 -25.819 1.00 1.24 N ATOM 359 CA CYS A 24 0.655 15.268 -26.184 1.00 0.95 C ATOM 360 C CYS A 24 -0.081 14.386 -27.189 1.00 0.84 C ATOM 361 O CYS A 24 0.534 13.563 -27.870 1.00 0.77 O ATOM 362 CB CYS A 24 0.876 16.662 -26.774 1.00 0.99 C ATOM 363 SG CYS A 24 1.905 17.739 -25.750 1.00 1.71 S ATOM 0 HA CYS A 24 0.042 15.349 -25.286 1.00 0.95 H new ATOM 0 HB2 CYS A 24 1.339 16.561 -27.756 1.00 0.99 H new ATOM 0 HB3 CYS A 24 -0.092 17.139 -26.926 1.00 0.99 H new ATOM 0 HG CYS A 24 2.037 18.894 -26.332 1.00 1.71 H new ATOM 369 N ILE A 25 -1.396 14.575 -27.285 1.00 0.89 N ATOM 370 CA ILE A 25 -2.226 13.777 -28.182 1.00 0.88 C ATOM 371 C ILE A 25 -1.703 13.839 -29.621 1.00 0.74 C ATOM 372 O ILE A 25 -1.762 12.856 -30.348 1.00 0.71 O ATOM 373 CB ILE A 25 -3.712 14.221 -28.129 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.584 13.297 -28.987 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.872 15.672 -28.571 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.619 11.861 -28.498 1.00 1.37 C ATOM 0 H ILE A 25 -1.909 15.276 -26.751 1.00 0.89 H new ATOM 0 HA ILE A 25 -2.170 12.744 -27.839 1.00 0.88 H new ATOM 0 HB ILE A 25 -4.045 14.148 -27.094 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.601 13.689 -29.008 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -4.215 13.313 -30.012 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.924 15.953 -28.523 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -3.293 16.319 -27.912 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.513 15.782 -29.594 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -5.256 11.268 -29.155 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.609 11.450 -28.503 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -5.017 11.832 -27.484 1.00 1.37 H new ATOM 388 N GLN A 26 -1.154 14.990 -30.007 1.00 0.69 N ATOM 389 CA GLN A 26 -0.576 15.158 -31.336 1.00 0.64 C ATOM 390 C GLN A 26 0.544 14.142 -31.560 1.00 0.56 C ATOM 391 O GLN A 26 0.579 13.465 -32.585 1.00 0.59 O ATOM 392 CB GLN A 26 -0.066 16.600 -31.510 1.00 0.70 C ATOM 393 CG GLN A 26 0.580 16.894 -32.864 1.00 0.80 C ATOM 394 CD GLN A 26 2.056 16.541 -32.904 1.00 1.23 C ATOM 395 OE1 GLN A 26 2.742 16.599 -31.886 1.00 1.75 O ATOM 396 NE2 GLN A 26 2.549 16.179 -34.079 1.00 1.54 N ATOM 0 H GLN A 26 -1.098 15.820 -29.416 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.345 14.977 -32.087 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.901 17.285 -31.366 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.659 16.811 -30.724 1.00 0.70 H new ATOM 0 HG2 GLN A 26 0.057 16.335 -33.640 1.00 0.80 H new ATOM 0 HG3 GLN A 26 0.458 17.952 -33.097 1.00 0.80 H new ATOM 0 HE21 GLN A 26 1.942 16.145 -34.898 1.00 1.54 H new ATOM 0 HE22 GLN A 26 3.535 15.934 -34.165 1.00 1.54 H new ATOM 405 N LYS A 27 1.437 14.021 -30.583 1.00 0.56 N ATOM 406 CA LYS A 27 2.563 13.102 -30.689 1.00 0.60 C ATOM 407 C LYS A 27 2.117 11.651 -30.575 1.00 0.58 C ATOM 408 O LYS A 27 2.852 10.750 -30.951 1.00 0.58 O ATOM 409 CB LYS A 27 3.637 13.416 -29.644 1.00 0.75 C ATOM 410 CG LYS A 27 4.356 14.724 -29.915 1.00 1.27 C ATOM 411 CD LYS A 27 5.791 14.697 -29.420 1.00 1.53 C ATOM 412 CE LYS A 27 6.556 15.919 -29.894 1.00 1.93 C ATOM 413 NZ LYS A 27 8.021 15.778 -29.682 1.00 2.50 N ATOM 0 H LYS A 27 1.402 14.548 -29.710 1.00 0.56 H new ATOM 0 HA LYS A 27 2.997 13.242 -31.679 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.176 13.458 -28.657 1.00 0.75 H new ATOM 0 HB3 LYS A 27 4.364 12.605 -29.622 1.00 0.75 H new ATOM 0 HG2 LYS A 27 4.346 14.928 -30.986 1.00 1.27 H new ATOM 0 HG3 LYS A 27 3.820 15.540 -29.429 1.00 1.27 H new ATOM 0 HD2 LYS A 27 5.802 14.657 -28.331 1.00 1.53 H new ATOM 0 HD3 LYS A 27 6.285 13.794 -29.777 1.00 1.53 H new ATOM 0 HE2 LYS A 27 6.357 16.082 -30.953 1.00 1.93 H new ATOM 0 HE3 LYS A 27 6.196 16.800 -29.363 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 8.505 16.635 -30.020 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 8.214 15.648 -28.668 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 8.370 14.953 -30.210 1.00 2.50 H new ATOM 427 N VAL A 28 0.923 11.418 -30.052 1.00 0.62 N ATOM 428 CA VAL A 28 0.375 10.068 -30.020 1.00 0.68 C ATOM 429 C VAL A 28 0.087 9.610 -31.447 1.00 0.62 C ATOM 430 O VAL A 28 0.529 8.535 -31.874 1.00 0.62 O ATOM 431 CB VAL A 28 -0.917 9.996 -29.172 1.00 0.77 C ATOM 432 CG1 VAL A 28 -1.499 8.591 -29.172 1.00 1.03 C ATOM 433 CG2 VAL A 28 -0.646 10.453 -27.748 1.00 1.04 C ATOM 0 H VAL A 28 0.320 12.135 -29.648 1.00 0.62 H new ATOM 0 HA VAL A 28 1.110 9.410 -29.556 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.649 10.665 -29.623 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.406 8.573 -28.568 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.738 8.296 -30.194 1.00 1.03 H new ATOM 0 HG13 VAL A 28 -0.771 7.896 -28.754 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -1.566 10.396 -27.166 1.00 1.04 H new ATOM 0 HG22 VAL A 28 0.109 9.810 -27.297 1.00 1.04 H new ATOM 0 HG23 VAL A 28 -0.287 11.482 -27.758 1.00 1.04 H new ATOM 443 N ILE A 29 -0.635 10.457 -32.178 1.00 0.60 N ATOM 444 CA ILE A 29 -0.903 10.231 -33.595 1.00 0.57 C ATOM 445 C ILE A 29 0.414 10.199 -34.368 1.00 0.52 C ATOM 446 O ILE A 29 0.699 9.249 -35.102 1.00 0.51 O ATOM 447 CB ILE A 29 -1.831 11.338 -34.190 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.294 11.159 -33.751 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.750 11.363 -35.713 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.551 11.399 -32.281 1.00 0.79 C ATOM 0 H ILE A 29 -1.048 11.313 -31.807 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.416 9.274 -33.690 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.473 12.290 -33.799 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.918 11.840 -34.330 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.612 10.146 -34.000 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.406 12.143 -36.099 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.724 11.567 -36.019 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -2.062 10.397 -36.110 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.609 11.249 -32.067 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.959 10.701 -31.689 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.270 12.420 -32.025 1.00 0.79 H new ATOM 462 N GLU A 30 1.224 11.232 -34.154 1.00 0.53 N ATOM 463 CA GLU A 30 2.505 11.390 -34.833 1.00 0.55 C ATOM 464 C GLU A 30 3.378 10.145 -34.682 1.00 0.55 C ATOM 465 O GLU A 30 3.855 9.587 -35.670 1.00 0.58 O ATOM 466 CB GLU A 30 3.232 12.607 -34.256 1.00 0.64 C ATOM 467 CG GLU A 30 4.581 12.896 -34.887 1.00 0.99 C ATOM 468 CD GLU A 30 5.310 14.004 -34.159 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.058 15.187 -34.468 1.00 2.20 O ATOM 470 OE2 GLU A 30 6.127 13.696 -33.262 1.00 1.84 O ATOM 0 H GLU A 30 1.009 11.986 -33.502 1.00 0.53 H new ATOM 0 HA GLU A 30 2.315 11.535 -35.897 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.595 13.484 -34.374 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.371 12.456 -33.185 1.00 0.64 H new ATOM 0 HG2 GLU A 30 5.189 11.992 -34.877 1.00 0.99 H new ATOM 0 HG3 GLU A 30 4.443 13.176 -35.931 1.00 0.99 H new ATOM 477 N ASP A 31 3.551 9.703 -33.442 1.00 0.57 N ATOM 478 CA ASP A 31 4.448 8.594 -33.126 1.00 0.64 C ATOM 479 C ASP A 31 4.012 7.304 -33.804 1.00 0.57 C ATOM 480 O ASP A 31 4.840 6.595 -34.384 1.00 0.61 O ATOM 481 CB ASP A 31 4.525 8.375 -31.612 1.00 0.80 C ATOM 482 CG ASP A 31 5.507 7.287 -31.227 1.00 1.05 C ATOM 483 OD1 ASP A 31 6.710 7.592 -31.084 1.00 1.17 O ATOM 484 OD2 ASP A 31 5.083 6.125 -31.055 1.00 1.67 O ATOM 0 H ASP A 31 3.077 10.099 -32.630 1.00 0.57 H new ATOM 0 HA ASP A 31 5.434 8.863 -33.505 1.00 0.64 H new ATOM 0 HB2 ASP A 31 4.815 9.308 -31.129 1.00 0.80 H new ATOM 0 HB3 ASP A 31 3.535 8.115 -31.236 1.00 0.80 H new ATOM 489 N LYS A 32 2.721 6.994 -33.744 1.00 0.53 N ATOM 490 CA LYS A 32 2.242 5.725 -34.278 1.00 0.55 C ATOM 491 C LYS A 32 2.347 5.662 -35.798 1.00 0.48 C ATOM 492 O LYS A 32 2.851 4.677 -36.335 1.00 0.52 O ATOM 493 CB LYS A 32 0.816 5.423 -33.828 1.00 0.67 C ATOM 494 CG LYS A 32 0.718 5.060 -32.355 1.00 0.97 C ATOM 495 CD LYS A 32 -0.575 4.320 -32.047 1.00 1.09 C ATOM 496 CE LYS A 32 -1.796 5.144 -32.413 1.00 1.51 C ATOM 497 NZ LYS A 32 -1.867 6.409 -31.636 1.00 2.03 N ATOM 0 H LYS A 32 2.000 7.591 -33.339 1.00 0.53 H new ATOM 0 HA LYS A 32 2.897 4.956 -33.869 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.188 6.292 -34.024 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.419 4.602 -34.425 1.00 0.67 H new ATOM 0 HG2 LYS A 32 1.569 4.439 -32.075 1.00 0.97 H new ATOM 0 HG3 LYS A 32 0.772 5.966 -31.752 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -0.594 3.378 -32.595 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -0.608 4.072 -30.986 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -1.772 5.374 -33.478 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -2.697 4.557 -32.233 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -2.799 6.850 -31.775 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -1.728 6.204 -30.626 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -1.124 7.059 -31.963 1.00 2.03 H new ATOM 511 N LEU A 33 1.897 6.697 -36.499 1.00 0.44 N ATOM 512 CA LEU A 33 1.966 6.679 -37.960 1.00 0.44 C ATOM 513 C LEU A 33 3.409 6.812 -38.441 1.00 0.46 C ATOM 514 O LEU A 33 3.761 6.316 -39.513 1.00 0.51 O ATOM 515 CB LEU A 33 1.052 7.748 -38.588 1.00 0.47 C ATOM 516 CG LEU A 33 1.256 9.201 -38.137 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.458 9.838 -38.822 1.00 0.57 C ATOM 518 CD2 LEU A 33 0.001 10.011 -38.421 1.00 0.55 C ATOM 0 H LEU A 33 1.490 7.540 -36.095 1.00 0.44 H new ATOM 0 HA LEU A 33 1.595 5.711 -38.297 1.00 0.44 H new ATOM 0 HB2 LEU A 33 1.181 7.709 -39.670 1.00 0.47 H new ATOM 0 HB3 LEU A 33 0.018 7.472 -38.380 1.00 0.47 H new ATOM 0 HG LEU A 33 1.451 9.196 -37.065 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.570 10.866 -38.478 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.358 9.273 -38.578 1.00 0.57 H new ATOM 0 HD13 LEU A 33 2.307 9.831 -39.902 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.152 11.041 -38.099 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.210 9.993 -39.490 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.840 9.581 -37.878 1.00 0.55 H new ATOM 530 N SER A 34 4.246 7.462 -37.640 1.00 0.47 N ATOM 531 CA SER A 34 5.664 7.572 -37.948 1.00 0.53 C ATOM 532 C SER A 34 6.320 6.200 -37.871 1.00 0.54 C ATOM 533 O SER A 34 7.062 5.807 -38.765 1.00 0.59 O ATOM 534 CB SER A 34 6.348 8.545 -36.982 1.00 0.60 C ATOM 535 OG SER A 34 7.736 8.653 -37.246 1.00 1.29 O ATOM 0 H SER A 34 3.966 7.920 -36.773 1.00 0.47 H new ATOM 0 HA SER A 34 5.774 7.960 -38.961 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.884 9.528 -37.065 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.197 8.207 -35.957 1.00 0.60 H new ATOM 0 HG SER A 34 8.141 9.282 -36.613 1.00 1.29 H new ATOM 541 N SER A 35 6.022 5.466 -36.810 1.00 0.55 N ATOM 542 CA SER A 35 6.597 4.144 -36.611 1.00 0.62 C ATOM 543 C SER A 35 6.014 3.129 -37.597 1.00 0.59 C ATOM 544 O SER A 35 6.671 2.154 -37.955 1.00 0.65 O ATOM 545 CB SER A 35 6.357 3.683 -35.173 1.00 0.72 C ATOM 546 OG SER A 35 6.834 4.649 -34.244 1.00 0.78 O ATOM 0 H SER A 35 5.384 5.764 -36.072 1.00 0.55 H new ATOM 0 HA SER A 35 7.670 4.209 -36.794 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.292 3.514 -35.014 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.859 2.731 -35.004 1.00 0.72 H new ATOM 0 HG SER A 35 6.207 5.401 -34.203 1.00 0.78 H new ATOM 552 N ALA A 36 4.783 3.370 -38.037 1.00 0.54 N ATOM 553 CA ALA A 36 4.092 2.439 -38.921 1.00 0.57 C ATOM 554 C ALA A 36 4.531 2.596 -40.378 1.00 0.51 C ATOM 555 O ALA A 36 4.746 1.606 -41.077 1.00 0.52 O ATOM 556 CB ALA A 36 2.585 2.630 -38.804 1.00 0.64 C ATOM 0 H ALA A 36 4.244 4.202 -37.796 1.00 0.54 H new ATOM 0 HA ALA A 36 4.358 1.430 -38.607 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.077 1.930 -39.468 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.274 2.446 -37.776 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.325 3.651 -39.085 1.00 0.64 H new ATOM 562 N LEU A 37 4.659 3.837 -40.835 1.00 0.50 N ATOM 563 CA LEU A 37 4.961 4.096 -42.240 1.00 0.53 C ATOM 564 C LEU A 37 6.417 4.510 -42.438 1.00 0.52 C ATOM 565 O LEU A 37 7.048 4.111 -43.417 1.00 0.62 O ATOM 566 CB LEU A 37 4.033 5.183 -42.792 1.00 0.57 C ATOM 567 CG LEU A 37 2.536 4.870 -42.705 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.719 6.027 -43.258 1.00 0.86 C ATOM 569 CD2 LEU A 37 2.209 3.583 -43.452 1.00 0.94 C ATOM 0 H LEU A 37 4.560 4.673 -40.260 1.00 0.50 H new ATOM 0 HA LEU A 37 4.798 3.167 -42.786 1.00 0.53 H new ATOM 0 HB2 LEU A 37 4.226 6.111 -42.253 1.00 0.57 H new ATOM 0 HB3 LEU A 37 4.290 5.362 -43.836 1.00 0.57 H new ATOM 0 HG LEU A 37 2.276 4.731 -41.656 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.658 5.789 -43.189 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.927 6.928 -42.681 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.986 6.195 -44.301 1.00 0.86 H new ATOM 0 HD21 LEU A 37 1.141 3.380 -43.377 1.00 0.94 H new ATOM 0 HD22 LEU A 37 2.485 3.691 -44.501 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.767 2.756 -43.013 1.00 0.94 H new ATOM 581 N LYS A 38 6.934 5.297 -41.498 1.00 0.47 N ATOM 582 CA LYS A 38 8.282 5.869 -41.581 1.00 0.52 C ATOM 583 C LYS A 38 8.518 6.630 -42.882 1.00 0.47 C ATOM 584 O LYS A 38 8.941 6.066 -43.894 1.00 0.54 O ATOM 585 CB LYS A 38 9.368 4.810 -41.377 1.00 0.70 C ATOM 586 CG LYS A 38 9.775 4.663 -39.922 1.00 1.32 C ATOM 587 CD LYS A 38 11.078 3.898 -39.771 1.00 1.93 C ATOM 588 CE LYS A 38 11.708 4.151 -38.410 1.00 2.67 C ATOM 589 NZ LYS A 38 12.039 5.591 -38.221 1.00 3.36 N ATOM 0 H LYS A 38 6.430 5.559 -40.651 1.00 0.47 H new ATOM 0 HA LYS A 38 8.350 6.588 -40.764 1.00 0.52 H new ATOM 0 HB2 LYS A 38 9.009 3.850 -41.748 1.00 0.70 H new ATOM 0 HB3 LYS A 38 10.243 5.074 -41.970 1.00 0.70 H new ATOM 0 HG2 LYS A 38 9.880 5.651 -39.473 1.00 1.32 H new ATOM 0 HG3 LYS A 38 8.986 4.147 -39.375 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.893 2.831 -39.897 1.00 1.93 H new ATOM 0 HD3 LYS A 38 11.772 4.196 -40.557 1.00 1.93 H new ATOM 0 HE2 LYS A 38 11.024 3.828 -37.625 1.00 2.67 H new ATOM 0 HE3 LYS A 38 12.613 3.552 -38.310 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 12.810 5.682 -37.529 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 12.339 6.000 -39.129 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 11.200 6.097 -37.873 1.00 3.36 H new ATOM 603 N PRO A 39 8.223 7.932 -42.871 1.00 0.46 N ATOM 604 CA PRO A 39 8.488 8.815 -43.991 1.00 0.47 C ATOM 605 C PRO A 39 9.895 9.407 -43.934 1.00 0.51 C ATOM 606 O PRO A 39 10.517 9.450 -42.872 1.00 0.63 O ATOM 607 CB PRO A 39 7.436 9.925 -43.826 1.00 0.50 C ATOM 608 CG PRO A 39 6.768 9.687 -42.501 1.00 0.54 C ATOM 609 CD PRO A 39 7.586 8.657 -41.773 1.00 0.52 C ATOM 0 HA PRO A 39 8.431 8.293 -44.946 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.903 10.909 -43.853 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.709 9.894 -44.638 1.00 0.50 H new ATOM 0 HG2 PRO A 39 6.712 10.611 -41.926 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.745 9.337 -42.642 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.319 9.115 -41.109 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.965 8.003 -41.160 1.00 0.52 H new ATOM 617 N THR A 40 10.395 9.855 -45.075 1.00 0.52 N ATOM 618 CA THR A 40 11.666 10.558 -45.130 1.00 0.61 C ATOM 619 C THR A 40 11.439 12.023 -44.779 1.00 0.62 C ATOM 620 O THR A 40 12.332 12.719 -44.293 1.00 0.73 O ATOM 621 CB THR A 40 12.310 10.438 -46.526 1.00 0.67 C ATOM 622 OG1 THR A 40 11.347 10.760 -47.540 1.00 0.70 O ATOM 623 CG2 THR A 40 12.841 9.030 -46.761 1.00 0.71 C ATOM 0 H THR A 40 9.937 9.743 -45.979 1.00 0.52 H new ATOM 0 HA THR A 40 12.350 10.106 -44.411 1.00 0.61 H new ATOM 0 HB THR A 40 13.143 11.139 -46.576 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.778 11.289 -48.244 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.290 8.971 -47.752 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.592 8.794 -46.008 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.021 8.315 -46.691 1.00 0.71 H new ATOM 631 N PHE A 41 10.216 12.472 -45.036 1.00 0.54 N ATOM 632 CA PHE A 41 9.767 13.795 -44.647 1.00 0.55 C ATOM 633 C PHE A 41 8.330 13.712 -44.150 1.00 0.48 C ATOM 634 O PHE A 41 7.482 13.087 -44.789 1.00 0.45 O ATOM 635 CB PHE A 41 9.865 14.776 -45.823 1.00 0.57 C ATOM 636 CG PHE A 41 9.342 16.150 -45.504 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.090 17.031 -44.739 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.102 16.560 -45.968 1.00 0.62 C ATOM 639 CE1 PHE A 41 9.610 18.293 -44.439 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.616 17.820 -45.672 1.00 0.70 C ATOM 641 CZ PHE A 41 8.373 18.687 -44.908 1.00 0.75 C ATOM 0 H PHE A 41 9.508 11.923 -45.523 1.00 0.54 H new ATOM 0 HA PHE A 41 10.410 14.164 -43.848 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.907 14.856 -46.133 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.310 14.372 -46.670 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.060 16.728 -44.373 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.508 15.887 -46.568 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.202 18.969 -43.839 1.00 0.76 H new ATOM 0 HE2 PHE A 41 6.647 18.126 -46.037 1.00 0.70 H new ATOM 0 HZ PHE A 41 7.997 19.673 -44.678 1.00 0.75 H new ATOM 651 N LEU A 42 8.065 14.324 -43.009 1.00 0.50 N ATOM 652 CA LEU A 42 6.736 14.301 -42.419 1.00 0.48 C ATOM 653 C LEU A 42 6.367 15.690 -41.916 1.00 0.54 C ATOM 654 O LEU A 42 7.087 16.272 -41.105 1.00 0.64 O ATOM 655 CB LEU A 42 6.689 13.286 -41.272 1.00 0.53 C ATOM 656 CG LEU A 42 5.332 13.125 -40.583 1.00 0.60 C ATOM 657 CD1 LEU A 42 4.283 12.628 -41.567 1.00 1.03 C ATOM 658 CD2 LEU A 42 5.451 12.173 -39.401 1.00 1.55 C ATOM 0 H LEU A 42 8.756 14.846 -42.470 1.00 0.50 H new ATOM 0 HA LEU A 42 6.013 14.001 -43.178 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.997 12.314 -41.658 1.00 0.53 H new ATOM 0 HB3 LEU A 42 7.424 13.579 -40.522 1.00 0.53 H new ATOM 0 HG LEU A 42 5.015 14.100 -40.214 1.00 0.60 H new ATOM 0 HD11 LEU A 42 3.326 12.521 -41.056 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.180 13.344 -42.382 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.590 11.662 -41.969 1.00 1.03 H new ATOM 0 HD21 LEU A 42 4.479 12.067 -38.920 1.00 1.55 H new ATOM 0 HD22 LEU A 42 5.790 11.198 -39.752 1.00 1.55 H new ATOM 0 HD23 LEU A 42 6.169 12.571 -38.684 1.00 1.55 H new ATOM 670 N GLU A 43 5.261 16.221 -42.411 1.00 0.57 N ATOM 671 CA GLU A 43 4.812 17.548 -42.020 1.00 0.69 C ATOM 672 C GLU A 43 3.428 17.465 -41.378 1.00 0.60 C ATOM 673 O GLU A 43 2.475 16.991 -41.999 1.00 0.53 O ATOM 674 CB GLU A 43 4.791 18.473 -43.241 1.00 0.82 C ATOM 675 CG GLU A 43 4.530 19.935 -42.911 1.00 1.00 C ATOM 676 CD GLU A 43 4.589 20.827 -44.135 1.00 1.62 C ATOM 677 OE1 GLU A 43 5.704 21.204 -44.551 1.00 2.23 O ATOM 678 OE2 GLU A 43 3.523 21.154 -44.695 1.00 2.19 O ATOM 0 H GLU A 43 4.656 15.753 -43.086 1.00 0.57 H new ATOM 0 HA GLU A 43 5.505 17.960 -41.287 1.00 0.69 H new ATOM 0 HB2 GLU A 43 5.747 18.394 -43.759 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.024 18.126 -43.933 1.00 0.82 H new ATOM 0 HG2 GLU A 43 3.550 20.029 -42.444 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.265 20.276 -42.181 1.00 1.00 H new ATOM 685 N LEU A 44 3.330 17.895 -40.124 1.00 0.67 N ATOM 686 CA LEU A 44 2.065 17.865 -39.400 1.00 0.65 C ATOM 687 C LEU A 44 1.475 19.268 -39.322 1.00 0.64 C ATOM 688 O LEU A 44 2.062 20.162 -38.713 1.00 0.77 O ATOM 689 CB LEU A 44 2.248 17.306 -37.977 1.00 0.82 C ATOM 690 CG LEU A 44 2.659 15.829 -37.864 1.00 0.97 C ATOM 691 CD1 LEU A 44 1.779 14.948 -38.737 1.00 1.27 C ATOM 692 CD2 LEU A 44 4.130 15.640 -38.205 1.00 1.72 C ATOM 0 H LEU A 44 4.113 18.269 -39.588 1.00 0.67 H new ATOM 0 HA LEU A 44 1.385 17.209 -39.943 1.00 0.65 H new ATOM 0 HB2 LEU A 44 3.001 17.909 -37.469 1.00 0.82 H new ATOM 0 HB3 LEU A 44 1.312 17.441 -37.435 1.00 0.82 H new ATOM 0 HG LEU A 44 2.516 15.523 -36.828 1.00 0.97 H new ATOM 0 HD11 LEU A 44 2.092 13.909 -38.638 1.00 1.27 H new ATOM 0 HD12 LEU A 44 0.740 15.046 -38.422 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.873 15.257 -39.778 1.00 1.27 H new ATOM 0 HD21 LEU A 44 4.391 14.586 -38.116 1.00 1.72 H new ATOM 0 HD22 LEU A 44 4.313 15.975 -39.226 1.00 1.72 H new ATOM 0 HD23 LEU A 44 4.741 16.224 -37.517 1.00 1.72 H new ATOM 704 N VAL A 45 0.324 19.462 -39.942 1.00 0.57 N ATOM 705 CA VAL A 45 -0.317 20.769 -39.968 1.00 0.63 C ATOM 706 C VAL A 45 -1.717 20.697 -39.365 1.00 0.60 C ATOM 707 O VAL A 45 -2.538 19.892 -39.797 1.00 0.56 O ATOM 708 CB VAL A 45 -0.423 21.312 -41.411 1.00 0.73 C ATOM 709 CG1 VAL A 45 -1.041 22.706 -41.422 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.944 21.321 -42.089 1.00 0.90 C ATOM 0 H VAL A 45 -0.188 18.731 -40.436 1.00 0.57 H new ATOM 0 HA VAL A 45 0.303 21.443 -39.377 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.077 20.647 -41.975 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -1.105 23.067 -42.448 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -2.040 22.664 -40.989 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.420 23.384 -40.837 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.844 21.707 -43.103 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.626 21.956 -41.524 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.339 20.306 -42.124 1.00 0.90 H new ATOM 720 N ASP A 46 -1.982 21.526 -38.363 1.00 0.76 N ATOM 721 CA ASP A 46 -3.323 21.615 -37.790 1.00 0.83 C ATOM 722 C ASP A 46 -4.193 22.527 -38.642 1.00 0.80 C ATOM 723 O ASP A 46 -3.857 23.691 -38.878 1.00 0.99 O ATOM 724 CB ASP A 46 -3.285 22.128 -36.346 1.00 1.16 C ATOM 725 CG ASP A 46 -4.675 22.408 -35.789 1.00 1.38 C ATOM 726 OD1 ASP A 46 -5.391 21.444 -35.435 1.00 1.83 O ATOM 727 OD2 ASP A 46 -5.056 23.600 -35.708 1.00 1.57 O ATOM 0 H ASP A 46 -1.293 22.143 -37.932 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.749 20.612 -37.778 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -2.786 21.392 -35.716 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.690 23.040 -36.304 1.00 1.16 H new ATOM 732 N LYS A 47 -5.300 21.989 -39.115 1.00 0.81 N ATOM 733 CA LYS A 47 -6.206 22.733 -39.968 1.00 1.03 C ATOM 734 C LYS A 47 -7.340 23.327 -39.151 1.00 1.12 C ATOM 735 O LYS A 47 -8.235 22.615 -38.701 1.00 1.66 O ATOM 736 CB LYS A 47 -6.762 21.833 -41.075 1.00 1.36 C ATOM 737 CG LYS A 47 -5.694 21.332 -42.035 1.00 1.85 C ATOM 738 CD LYS A 47 -6.277 20.481 -43.154 1.00 2.14 C ATOM 739 CE LYS A 47 -6.867 19.178 -42.635 1.00 2.34 C ATOM 740 NZ LYS A 47 -7.166 18.237 -43.745 1.00 2.76 N ATOM 0 H LYS A 47 -5.595 21.032 -38.921 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.649 23.548 -40.431 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -7.263 20.978 -40.621 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -7.517 22.384 -41.637 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -5.167 22.184 -42.466 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -4.958 20.748 -41.483 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -7.050 21.047 -43.674 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -5.498 20.260 -43.884 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -6.169 18.712 -41.940 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -7.780 19.387 -42.078 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -7.551 17.353 -43.356 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -7.864 18.666 -44.386 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -6.293 18.032 -44.271 1.00 2.76 H new ATOM 815 N SER A 54 -7.639 19.433 -36.114 1.00 1.25 N ATOM 816 CA SER A 54 -7.655 18.454 -37.184 1.00 1.00 C ATOM 817 C SER A 54 -6.310 18.466 -37.883 1.00 0.82 C ATOM 818 O SER A 54 -5.774 19.531 -38.180 1.00 0.89 O ATOM 819 CB SER A 54 -8.782 18.763 -38.174 1.00 1.14 C ATOM 820 OG SER A 54 -10.049 18.691 -37.537 1.00 1.71 O ATOM 0 HA SER A 54 -7.837 17.462 -36.770 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.638 19.758 -38.596 1.00 1.14 H new ATOM 0 HB3 SER A 54 -8.747 18.057 -39.004 1.00 1.14 H new ATOM 0 HG SER A 54 -9.948 18.892 -36.583 1.00 1.71 H new ATOM 826 N PHE A 55 -5.768 17.297 -38.169 1.00 0.67 N ATOM 827 CA PHE A 55 -4.399 17.226 -38.644 1.00 0.60 C ATOM 828 C PHE A 55 -4.339 16.788 -40.096 1.00 0.52 C ATOM 829 O PHE A 55 -4.999 15.835 -40.510 1.00 0.50 O ATOM 830 CB PHE A 55 -3.583 16.256 -37.784 1.00 0.67 C ATOM 831 CG PHE A 55 -3.594 16.586 -36.319 1.00 0.81 C ATOM 832 CD1 PHE A 55 -2.741 17.549 -35.807 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.454 15.928 -35.454 1.00 0.99 C ATOM 834 CE1 PHE A 55 -2.745 17.851 -34.459 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.464 16.227 -34.105 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.608 17.190 -33.607 1.00 1.15 C ATOM 0 H PHE A 55 -6.244 16.399 -38.083 1.00 0.67 H new ATOM 0 HA PHE A 55 -3.973 18.226 -38.566 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -3.972 15.247 -37.922 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.552 16.251 -38.138 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.065 18.070 -36.469 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.124 15.173 -35.839 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.074 18.603 -34.072 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -5.140 15.709 -33.441 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.614 17.426 -32.553 1.00 1.15 H new ATOM 846 N ASP A 56 -3.552 17.521 -40.858 1.00 0.51 N ATOM 847 CA ASP A 56 -3.251 17.178 -42.231 1.00 0.52 C ATOM 848 C ASP A 56 -1.793 16.770 -42.295 1.00 0.50 C ATOM 849 O ASP A 56 -0.904 17.586 -42.038 1.00 0.55 O ATOM 850 CB ASP A 56 -3.508 18.378 -43.144 1.00 0.58 C ATOM 851 CG ASP A 56 -3.682 17.991 -44.599 1.00 0.64 C ATOM 852 OD1 ASP A 56 -4.827 17.673 -44.994 1.00 1.23 O ATOM 853 OD2 ASP A 56 -2.693 18.025 -45.357 1.00 1.35 O ATOM 0 H ASP A 56 -3.101 18.378 -40.538 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.888 16.360 -42.568 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.402 18.901 -42.804 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.677 19.078 -43.057 1.00 0.58 H new ATOM 858 N ALA A 57 -1.543 15.508 -42.594 1.00 0.48 N ATOM 859 CA ALA A 57 -0.188 14.990 -42.534 1.00 0.48 C ATOM 860 C ALA A 57 0.387 14.780 -43.925 1.00 0.44 C ATOM 861 O ALA A 57 -0.103 13.960 -44.703 1.00 0.46 O ATOM 862 CB ALA A 57 -0.164 13.681 -41.754 1.00 0.51 C ATOM 0 H ALA A 57 -2.250 14.830 -42.877 1.00 0.48 H new ATOM 0 HA ALA A 57 0.432 15.726 -42.023 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.856 13.300 -41.714 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.526 13.855 -40.741 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.805 12.951 -42.248 1.00 0.51 H new ATOM 868 N VAL A 58 1.434 15.530 -44.227 1.00 0.42 N ATOM 869 CA VAL A 58 2.158 15.355 -45.470 1.00 0.41 C ATOM 870 C VAL A 58 3.164 14.231 -45.296 1.00 0.39 C ATOM 871 O VAL A 58 4.131 14.361 -44.540 1.00 0.41 O ATOM 872 CB VAL A 58 2.891 16.645 -45.897 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.565 16.462 -47.249 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.929 17.825 -45.920 1.00 0.55 C ATOM 0 H VAL A 58 1.800 16.267 -43.625 1.00 0.42 H new ATOM 0 HA VAL A 58 1.440 15.112 -46.253 1.00 0.41 H new ATOM 0 HB VAL A 58 3.668 16.857 -45.163 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.075 17.384 -47.529 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.290 15.651 -47.187 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.813 16.220 -48.001 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.464 18.725 -46.223 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.125 17.625 -46.628 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.508 17.971 -44.925 1.00 0.55 H new ATOM 884 N ILE A 59 2.922 13.122 -45.971 1.00 0.38 N ATOM 885 CA ILE A 59 3.764 11.953 -45.824 1.00 0.40 C ATOM 886 C ILE A 59 4.577 11.716 -47.092 1.00 0.44 C ATOM 887 O ILE A 59 4.050 11.347 -48.144 1.00 0.65 O ATOM 888 CB ILE A 59 2.926 10.701 -45.416 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.807 9.450 -45.231 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.804 10.436 -46.412 1.00 0.77 C ATOM 891 CD1 ILE A 59 4.060 8.648 -46.496 1.00 0.80 C ATOM 0 H ILE A 59 2.149 13.008 -46.626 1.00 0.38 H new ATOM 0 HA ILE A 59 4.470 12.134 -45.014 1.00 0.40 H new ATOM 0 HB ILE A 59 2.474 10.924 -44.450 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.767 9.759 -44.817 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.336 8.799 -44.494 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.240 9.558 -46.099 1.00 0.77 H new ATOM 0 HG22 ILE A 59 1.140 11.299 -46.450 1.00 0.77 H new ATOM 0 HG23 ILE A 59 2.229 10.261 -47.400 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.689 7.789 -46.262 1.00 0.80 H new ATOM 0 HD12 ILE A 59 3.110 8.302 -46.904 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.563 9.277 -47.231 1.00 0.80 H new ATOM 903 N VAL A 60 5.867 11.990 -46.985 1.00 0.39 N ATOM 904 CA VAL A 60 6.805 11.749 -48.065 1.00 0.42 C ATOM 905 C VAL A 60 7.680 10.557 -47.705 1.00 0.40 C ATOM 906 O VAL A 60 8.526 10.653 -46.820 1.00 0.44 O ATOM 907 CB VAL A 60 7.692 12.990 -48.319 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.705 12.724 -49.419 1.00 0.58 C ATOM 909 CG2 VAL A 60 6.836 14.203 -48.660 1.00 0.58 C ATOM 0 H VAL A 60 6.292 12.386 -46.146 1.00 0.39 H new ATOM 0 HA VAL A 60 6.245 11.542 -48.977 1.00 0.42 H new ATOM 0 HB VAL A 60 8.241 13.202 -47.401 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.314 13.614 -49.575 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.346 11.891 -49.130 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.182 12.475 -50.343 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.480 15.065 -48.835 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.254 13.997 -49.558 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.161 14.417 -47.831 1.00 0.58 H new ATOM 919 N SER A 61 7.465 9.430 -48.367 1.00 0.39 N ATOM 920 CA SER A 61 8.149 8.201 -47.991 1.00 0.42 C ATOM 921 C SER A 61 8.342 7.266 -49.178 1.00 0.42 C ATOM 922 O SER A 61 7.595 7.313 -50.157 1.00 0.43 O ATOM 923 CB SER A 61 7.372 7.481 -46.882 1.00 0.45 C ATOM 924 OG SER A 61 8.001 6.263 -46.517 1.00 0.84 O ATOM 0 H SER A 61 6.829 9.340 -49.159 1.00 0.39 H new ATOM 0 HA SER A 61 9.137 8.479 -47.625 1.00 0.42 H new ATOM 0 HB2 SER A 61 7.296 8.129 -46.009 1.00 0.45 H new ATOM 0 HB3 SER A 61 6.355 7.280 -47.219 1.00 0.45 H new ATOM 0 HG SER A 61 8.246 6.293 -45.569 1.00 0.84 H new ATOM 930 N ASN A 62 9.363 6.417 -49.072 1.00 0.51 N ATOM 931 CA ASN A 62 9.621 5.367 -50.055 1.00 0.57 C ATOM 932 C ASN A 62 8.504 4.332 -50.027 1.00 0.56 C ATOM 933 O ASN A 62 8.314 3.581 -50.980 1.00 0.59 O ATOM 934 CB ASN A 62 10.963 4.682 -49.778 1.00 0.75 C ATOM 935 CG ASN A 62 12.163 5.577 -50.038 1.00 0.86 C ATOM 936 OD1 ASN A 62 13.172 5.495 -49.339 1.00 1.67 O ATOM 937 ND2 ASN A 62 12.075 6.422 -51.055 1.00 0.76 N ATOM 0 H ASN A 62 10.033 6.438 -48.304 1.00 0.51 H new ATOM 0 HA ASN A 62 9.659 5.829 -51.042 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.985 4.350 -48.740 1.00 0.75 H new ATOM 0 HB3 ASN A 62 11.043 3.790 -50.400 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.860 7.032 -51.280 1.00 0.76 H new ATOM 0 HD22 ASN A 62 11.222 6.462 -51.613 1.00 0.76 H new ATOM 944 N ASN A 63 7.760 4.310 -48.926 1.00 0.57 N ATOM 945 CA ASN A 63 6.654 3.368 -48.753 1.00 0.66 C ATOM 946 C ASN A 63 5.551 3.643 -49.774 1.00 0.67 C ATOM 947 O ASN A 63 4.727 2.781 -50.068 1.00 0.86 O ATOM 948 CB ASN A 63 6.088 3.472 -47.330 1.00 0.73 C ATOM 949 CG ASN A 63 5.102 2.365 -46.999 1.00 1.03 C ATOM 950 OD1 ASN A 63 5.220 1.238 -47.477 1.00 1.81 O ATOM 951 ND2 ASN A 63 4.123 2.679 -46.165 1.00 1.00 N ATOM 0 H ASN A 63 7.902 4.937 -48.134 1.00 0.57 H new ATOM 0 HA ASN A 63 7.033 2.358 -48.912 1.00 0.66 H new ATOM 0 HB2 ASN A 63 6.910 3.444 -46.615 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.595 4.437 -47.211 1.00 0.73 H new ATOM 0 HD21 ASN A 63 3.434 1.975 -45.899 1.00 1.00 H new ATOM 0 HD22 ASN A 63 4.057 3.625 -45.789 1.00 1.00 H new ATOM 958 N PHE A 64 5.539 4.857 -50.316 1.00 0.60 N ATOM 959 CA PHE A 64 4.562 5.225 -51.331 1.00 0.67 C ATOM 960 C PHE A 64 5.252 5.396 -52.685 1.00 0.60 C ATOM 961 O PHE A 64 4.634 5.786 -53.673 1.00 0.65 O ATOM 962 CB PHE A 64 3.826 6.511 -50.927 1.00 0.80 C ATOM 963 CG PHE A 64 2.678 6.861 -51.838 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.553 6.053 -51.897 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.733 7.987 -52.646 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.502 6.363 -52.740 1.00 2.66 C ATOM 967 CE2 PHE A 64 1.686 8.300 -53.493 1.00 2.95 C ATOM 968 CZ PHE A 64 0.570 7.487 -53.540 1.00 3.19 C ATOM 0 H PHE A 64 6.193 5.600 -50.069 1.00 0.60 H new ATOM 0 HA PHE A 64 3.825 4.427 -51.417 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.451 6.400 -49.910 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.536 7.338 -50.917 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.497 5.171 -51.277 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.603 8.626 -52.613 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.371 5.727 -52.773 1.00 2.66 H new ATOM 0 HE2 PHE A 64 1.741 9.179 -54.117 1.00 2.95 H new ATOM 0 HZ PHE A 64 -0.248 7.730 -54.202 1.00 3.19 H new ATOM 978 N GLU A 65 6.530 5.052 -52.738 1.00 0.58 N ATOM 979 CA GLU A 65 7.315 5.223 -53.936 1.00 0.61 C ATOM 980 C GLU A 65 6.962 4.123 -54.933 1.00 0.65 C ATOM 981 O GLU A 65 7.016 4.325 -56.148 1.00 0.75 O ATOM 982 CB GLU A 65 8.796 5.238 -53.539 1.00 0.71 C ATOM 983 CG GLU A 65 9.708 4.466 -54.455 1.00 0.87 C ATOM 984 CD GLU A 65 9.995 5.182 -55.760 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.430 6.353 -55.711 1.00 2.11 O ATOM 986 OE2 GLU A 65 9.785 4.583 -56.836 1.00 2.14 O ATOM 0 H GLU A 65 7.043 4.650 -51.954 1.00 0.58 H new ATOM 0 HA GLU A 65 7.098 6.169 -54.433 1.00 0.61 H new ATOM 0 HB2 GLU A 65 9.136 6.273 -53.500 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.891 4.834 -52.531 1.00 0.71 H new ATOM 0 HG2 GLU A 65 10.649 4.273 -53.940 1.00 0.87 H new ATOM 0 HG3 GLU A 65 9.258 3.497 -54.672 1.00 0.87 H new ATOM 993 N ASP A 66 6.542 2.977 -54.406 1.00 0.69 N ATOM 994 CA ASP A 66 6.017 1.899 -55.238 1.00 0.84 C ATOM 995 C ASP A 66 4.642 2.275 -55.783 1.00 0.80 C ATOM 996 O ASP A 66 4.080 1.572 -56.622 1.00 0.93 O ATOM 997 CB ASP A 66 5.937 0.591 -54.449 1.00 1.00 C ATOM 998 CG ASP A 66 7.301 -0.028 -54.219 1.00 1.40 C ATOM 999 OD1 ASP A 66 7.993 0.376 -53.261 1.00 2.03 O ATOM 1000 OD2 ASP A 66 7.695 -0.919 -55.004 1.00 1.94 O ATOM 0 H ASP A 66 6.555 2.771 -53.407 1.00 0.69 H new ATOM 0 HA ASP A 66 6.699 1.750 -56.075 1.00 0.84 H new ATOM 0 HB2 ASP A 66 5.459 0.778 -53.487 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.306 -0.117 -54.986 1.00 1.00 H new ATOM 1005 N LYS A 67 4.110 3.390 -55.275 1.00 0.78 N ATOM 1006 CA LYS A 67 2.889 4.010 -55.793 1.00 0.88 C ATOM 1007 C LYS A 67 1.663 3.129 -55.583 1.00 0.78 C ATOM 1008 O LYS A 67 0.697 3.199 -56.342 1.00 0.86 O ATOM 1009 CB LYS A 67 3.066 4.357 -57.276 1.00 1.17 C ATOM 1010 CG LYS A 67 4.231 5.303 -57.519 1.00 1.67 C ATOM 1011 CD LYS A 67 4.506 5.504 -58.997 1.00 2.00 C ATOM 1012 CE LYS A 67 5.776 6.311 -59.208 1.00 2.46 C ATOM 1013 NZ LYS A 67 6.968 5.625 -58.637 1.00 3.31 N ATOM 0 H LYS A 67 4.519 3.891 -54.486 1.00 0.78 H new ATOM 0 HA LYS A 67 2.717 4.927 -55.230 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.223 3.440 -57.844 1.00 1.17 H new ATOM 0 HB3 LYS A 67 2.149 4.812 -57.651 1.00 1.17 H new ATOM 0 HG2 LYS A 67 4.017 6.267 -57.056 1.00 1.67 H new ATOM 0 HG3 LYS A 67 5.124 4.908 -57.035 1.00 1.67 H new ATOM 0 HD2 LYS A 67 4.600 4.536 -59.488 1.00 2.00 H new ATOM 0 HD3 LYS A 67 3.663 6.017 -59.461 1.00 2.00 H new ATOM 0 HE2 LYS A 67 5.928 6.477 -60.274 1.00 2.46 H new ATOM 0 HE3 LYS A 67 5.665 7.292 -58.745 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 7.817 6.198 -58.816 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 6.841 5.504 -57.612 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 7.079 4.693 -59.084 1.00 3.31 H new ATOM 1027 N LYS A 68 1.689 2.325 -54.532 1.00 0.83 N ATOM 1028 CA LYS A 68 0.539 1.511 -54.179 1.00 0.90 C ATOM 1029 C LYS A 68 -0.363 2.274 -53.214 1.00 0.82 C ATOM 1030 O LYS A 68 -0.131 2.287 -52.002 1.00 0.87 O ATOM 1031 CB LYS A 68 0.974 0.184 -53.558 1.00 1.16 C ATOM 1032 CG LYS A 68 1.826 -0.686 -54.472 1.00 1.35 C ATOM 1033 CD LYS A 68 1.146 -0.964 -55.811 1.00 1.37 C ATOM 1034 CE LYS A 68 -0.212 -1.638 -55.652 1.00 1.55 C ATOM 1035 NZ LYS A 68 -0.142 -2.887 -54.846 1.00 1.99 N ATOM 0 H LYS A 68 2.491 2.219 -53.911 1.00 0.83 H new ATOM 0 HA LYS A 68 -0.017 1.291 -55.091 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.534 0.389 -52.646 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.085 -0.376 -53.267 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.783 -0.195 -54.649 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.040 -1.631 -53.973 1.00 1.35 H new ATOM 0 HD2 LYS A 68 1.020 -0.026 -56.352 1.00 1.37 H new ATOM 0 HD3 LYS A 68 1.793 -1.598 -56.418 1.00 1.37 H new ATOM 0 HE2 LYS A 68 -0.905 -0.943 -55.178 1.00 1.55 H new ATOM 0 HE3 LYS A 68 -0.616 -1.869 -56.638 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 -1.043 -3.401 -54.923 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 0.630 -3.487 -55.201 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 0.036 -2.648 -53.850 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.386 2.916 -53.760 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.261 3.773 -52.973 1.00 0.91 C ATOM 1051 C LEU A 69 -3.188 2.956 -52.079 1.00 0.85 C ATOM 1052 O LEU A 69 -3.480 3.358 -50.953 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.053 4.727 -53.885 1.00 1.16 C ATOM 1054 CG LEU A 69 -3.861 4.077 -55.016 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.263 3.710 -54.553 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -3.922 5.005 -56.219 1.00 2.33 C ATOM 0 H LEU A 69 -1.631 2.859 -54.749 1.00 0.84 H new ATOM 0 HA LEU A 69 -1.636 4.378 -52.317 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.738 5.303 -53.263 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -2.353 5.435 -54.329 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.356 3.156 -55.307 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -5.810 3.252 -55.377 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -5.200 3.006 -53.723 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.785 4.609 -54.226 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -4.498 4.532 -57.014 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -4.400 5.942 -55.932 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -2.911 5.207 -56.574 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.652 1.814 -52.577 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.520 0.944 -51.788 1.00 0.91 C ATOM 1070 C LEU A 70 -3.756 0.328 -50.612 1.00 0.79 C ATOM 1071 O LEU A 70 -4.318 0.116 -49.541 1.00 0.80 O ATOM 1072 CB LEU A 70 -5.226 -0.130 -52.666 1.00 1.06 C ATOM 1073 CG LEU A 70 -4.383 -1.258 -53.312 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -3.165 -0.722 -54.046 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.989 -2.317 -52.292 1.00 1.07 C ATOM 0 H LEU A 70 -3.444 1.471 -53.515 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.315 1.561 -51.370 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.991 -0.604 -52.051 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.743 0.393 -53.470 1.00 1.06 H new ATOM 0 HG LEU A 70 -5.020 -1.733 -54.058 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -2.608 -1.552 -54.481 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.486 -0.046 -54.838 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.526 -0.183 -53.346 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -3.399 -3.092 -52.781 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.398 -1.857 -51.500 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -4.887 -2.761 -51.864 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.463 0.082 -50.806 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.637 -0.514 -49.757 1.00 0.70 C ATOM 1089 C ASP A 71 -1.484 0.443 -48.586 1.00 0.63 C ATOM 1090 O ASP A 71 -1.708 0.074 -47.436 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.257 -0.911 -50.291 1.00 0.77 C ATOM 1092 CG ASP A 71 -0.278 -2.217 -51.063 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.119 -3.289 -50.437 1.00 1.58 O ATOM 1094 OD2 ASP A 71 -0.436 -2.183 -52.299 1.00 2.08 O ATOM 0 H ASP A 71 -1.966 0.284 -51.674 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.143 -1.416 -49.414 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.119 -0.118 -50.938 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.439 -0.999 -49.457 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.124 1.686 -48.880 1.00 0.67 N ATOM 1100 CA ARG A 72 -0.977 2.687 -47.834 1.00 0.74 C ATOM 1101 C ARG A 72 -2.332 2.989 -47.193 1.00 0.67 C ATOM 1102 O ARG A 72 -2.402 3.369 -46.028 1.00 0.68 O ATOM 1103 CB ARG A 72 -0.316 3.968 -48.385 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.106 4.679 -49.476 1.00 1.31 C ATOM 1105 CD ARG A 72 -2.121 5.656 -48.898 1.00 1.53 C ATOM 1106 NE ARG A 72 -3.012 6.195 -49.926 1.00 1.92 N ATOM 1107 CZ ARG A 72 -3.393 7.471 -49.990 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -2.955 8.343 -49.092 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -4.211 7.879 -50.953 1.00 2.93 N ATOM 0 H ARG A 72 -0.931 2.022 -49.824 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.320 2.287 -47.062 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.159 4.662 -47.559 1.00 0.92 H new ATOM 0 HB3 ARG A 72 0.668 3.712 -48.778 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -0.419 5.215 -50.131 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -1.622 3.941 -50.090 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -2.713 5.153 -48.133 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -1.596 6.476 -48.407 1.00 1.53 H new ATOM 0 HE ARG A 72 -3.363 5.555 -50.638 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -2.325 8.038 -48.350 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -3.248 9.319 -49.143 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -4.551 7.215 -51.649 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -4.499 8.856 -50.997 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.405 2.792 -47.960 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.761 3.046 -47.478 1.00 0.71 C ATOM 1125 C HIS A 73 -5.166 2.023 -46.419 1.00 0.62 C ATOM 1126 O HIS A 73 -5.636 2.387 -45.344 1.00 0.62 O ATOM 1127 CB HIS A 73 -5.753 3.023 -48.651 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.193 3.206 -48.255 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -7.736 4.429 -47.920 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.205 2.310 -48.156 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.016 4.275 -47.632 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.324 3.002 -47.769 1.00 1.15 N ATOM 0 H HIS A 73 -3.359 2.456 -48.922 1.00 0.68 H new ATOM 0 HA HIS A 73 -4.781 4.034 -47.018 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.481 3.809 -49.356 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.652 2.074 -49.177 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.142 1.249 -48.346 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -9.695 5.060 -47.334 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.247 2.596 -47.612 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.977 0.747 -46.722 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.360 -0.314 -45.798 1.00 0.59 C ATOM 1143 C ARG A 74 -4.500 -0.283 -44.535 1.00 0.51 C ATOM 1144 O ARG A 74 -4.994 -0.533 -43.433 1.00 0.52 O ATOM 1145 CB ARG A 74 -5.278 -1.680 -46.487 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.898 -2.030 -47.017 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.960 -3.159 -48.031 1.00 0.86 C ATOM 1148 NE ARG A 74 -4.580 -4.364 -47.487 1.00 0.88 N ATOM 1149 CZ ARG A 74 -5.302 -5.215 -48.214 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -5.534 -4.958 -49.496 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -5.811 -6.308 -47.658 1.00 1.32 N ATOM 0 H ARG A 74 -4.563 0.421 -47.595 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.394 -0.145 -45.496 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.589 -2.450 -45.781 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.988 -1.700 -47.314 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.450 -1.150 -47.478 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -3.252 -2.319 -46.188 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -4.521 -2.828 -48.905 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.951 -3.394 -48.370 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.453 -4.565 -46.495 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -5.160 -4.110 -49.922 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -6.087 -5.608 -50.055 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -5.650 -6.500 -46.669 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -6.363 -6.956 -48.220 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.222 0.051 -44.691 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.316 0.160 -43.550 1.00 0.46 C ATOM 1167 C LEU A 75 -2.695 1.342 -42.660 1.00 0.42 C ATOM 1168 O LEU A 75 -2.852 1.191 -41.441 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.859 0.296 -44.015 1.00 0.51 C ATOM 1170 CG LEU A 75 -0.075 -1.019 -44.133 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.022 -1.705 -42.778 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.715 -1.949 -45.153 1.00 1.36 C ATOM 0 H LEU A 75 -2.791 0.251 -45.593 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.410 -0.756 -42.967 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.851 0.791 -44.986 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.334 0.950 -43.319 1.00 0.51 H new ATOM 0 HG LEU A 75 0.931 -0.780 -44.477 1.00 0.79 H new ATOM 0 HD11 LEU A 75 0.581 -2.635 -42.880 1.00 1.48 H new ATOM 0 HD12 LEU A 75 0.535 -1.049 -42.074 1.00 1.48 H new ATOM 0 HD13 LEU A 75 -0.980 -1.922 -42.408 1.00 1.48 H new ATOM 0 HD21 LEU A 75 -0.139 -2.872 -45.216 1.00 1.36 H new ATOM 0 HD22 LEU A 75 -1.736 -2.178 -44.846 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -0.730 -1.464 -46.129 1.00 1.36 H new ATOM 1184 N VAL A 76 -2.864 2.514 -43.269 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.207 3.711 -42.514 1.00 0.50 C ATOM 1186 C VAL A 76 -4.554 3.529 -41.818 1.00 0.48 C ATOM 1187 O VAL A 76 -4.745 3.985 -40.699 1.00 0.50 O ATOM 1188 CB VAL A 76 -3.219 4.985 -43.402 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -4.425 5.035 -44.333 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -3.151 6.237 -42.546 1.00 0.82 C ATOM 0 H VAL A 76 -2.769 2.657 -44.274 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.431 3.854 -41.762 1.00 0.50 H new ATOM 0 HB VAL A 76 -2.331 4.940 -44.033 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -4.385 5.945 -44.931 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -4.412 4.167 -44.992 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -5.341 5.029 -43.742 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -3.161 7.118 -43.188 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -4.010 6.267 -41.876 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.233 6.226 -41.958 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.471 2.824 -42.471 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.775 2.545 -41.883 1.00 0.53 C ATOM 1202 C ASN A 77 -6.652 1.570 -40.722 1.00 0.49 C ATOM 1203 O ASN A 77 -7.391 1.668 -39.753 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.747 1.994 -42.933 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.485 3.091 -43.684 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -9.609 2.892 -44.143 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -7.866 4.256 -43.813 1.00 0.92 N ATOM 0 H ASN A 77 -5.336 2.436 -43.405 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.173 3.487 -41.505 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.196 1.380 -43.645 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.472 1.343 -42.445 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -8.322 5.024 -44.306 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -6.934 4.385 -43.419 1.00 0.92 H new ATOM 1214 N THR A 78 -5.708 0.644 -40.817 1.00 0.45 N ATOM 1215 CA THR A 78 -5.491 -0.339 -39.760 1.00 0.50 C ATOM 1216 C THR A 78 -5.148 0.339 -38.430 1.00 0.46 C ATOM 1217 O THR A 78 -5.780 0.072 -37.406 1.00 0.50 O ATOM 1218 CB THR A 78 -4.371 -1.333 -40.146 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.764 -2.090 -41.302 1.00 0.62 O ATOM 1220 CG2 THR A 78 -4.056 -2.286 -39.002 1.00 0.69 C ATOM 0 H THR A 78 -5.079 0.551 -41.615 1.00 0.45 H new ATOM 0 HA THR A 78 -6.423 -0.891 -39.637 1.00 0.50 H new ATOM 0 HB THR A 78 -3.475 -0.754 -40.369 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.843 -1.491 -42.074 1.00 0.62 H new ATOM 0 HG21 THR A 78 -3.265 -2.971 -39.307 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.728 -1.716 -38.133 1.00 0.69 H new ATOM 0 HG23 THR A 78 -4.950 -2.855 -38.746 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.163 1.228 -38.450 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.728 1.896 -37.222 1.00 0.45 C ATOM 1230 C ILE A 79 -4.621 3.099 -36.901 1.00 0.45 C ATOM 1231 O ILE A 79 -5.115 3.263 -35.771 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.246 2.358 -37.305 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.293 1.159 -37.399 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.870 3.215 -36.105 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -1.169 0.568 -38.786 1.00 0.77 C ATOM 0 H ILE A 79 -3.653 1.503 -39.290 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.814 1.162 -36.421 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.147 2.956 -38.211 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -0.305 1.468 -37.059 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.637 0.383 -36.716 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.828 3.523 -36.190 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.508 4.098 -36.074 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -2.004 2.638 -35.190 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.477 -0.274 -38.762 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -2.147 0.224 -39.124 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.794 1.327 -39.473 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.868 3.925 -37.902 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.586 5.165 -37.681 1.00 0.52 C ATOM 1249 C LEU A 80 -7.085 4.941 -37.532 1.00 0.56 C ATOM 1250 O LEU A 80 -7.824 5.890 -37.318 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.293 6.194 -38.780 1.00 0.56 C ATOM 1252 CG LEU A 80 -3.961 6.948 -38.640 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -2.778 6.013 -38.829 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -3.894 8.092 -39.634 1.00 0.71 C ATOM 0 H LEU A 80 -4.584 3.761 -38.868 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.221 5.571 -36.737 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.303 5.684 -39.743 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.103 6.923 -38.797 1.00 0.56 H new ATOM 0 HG LEU A 80 -3.910 7.356 -37.630 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -1.850 6.575 -38.724 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.813 5.226 -38.076 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -2.822 5.567 -39.823 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -2.945 8.616 -39.522 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -3.974 7.699 -40.647 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -4.715 8.784 -39.448 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.539 3.695 -37.627 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.933 3.381 -37.320 1.00 0.68 C ATOM 1268 C LYS A 81 -9.236 3.792 -35.888 1.00 0.68 C ATOM 1269 O LYS A 81 -10.119 4.608 -35.630 1.00 0.72 O ATOM 1270 CB LYS A 81 -9.209 1.884 -37.495 1.00 0.77 C ATOM 1271 CG LYS A 81 -10.664 1.500 -37.286 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.570 2.197 -38.286 1.00 0.99 C ATOM 1273 CE LYS A 81 -13.020 1.790 -38.096 1.00 1.56 C ATOM 1274 NZ LYS A 81 -13.913 2.420 -39.101 1.00 1.93 N ATOM 0 H LYS A 81 -6.972 2.895 -37.910 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.574 3.930 -38.010 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.904 1.583 -38.497 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -8.591 1.326 -36.792 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -10.775 0.420 -37.384 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -10.969 1.761 -36.273 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -11.476 3.277 -38.174 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.252 1.953 -39.300 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -13.104 0.706 -38.166 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -13.347 2.071 -37.095 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -14.893 2.115 -38.934 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.854 3.455 -39.018 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.619 2.132 -40.056 1.00 1.93 H new ATOM 1288 N GLU A 82 -8.469 3.231 -34.963 1.00 0.69 N ATOM 1289 CA GLU A 82 -8.594 3.560 -33.552 1.00 0.73 C ATOM 1290 C GLU A 82 -8.048 4.958 -33.293 1.00 0.67 C ATOM 1291 O GLU A 82 -8.549 5.685 -32.438 1.00 0.68 O ATOM 1292 CB GLU A 82 -7.831 2.539 -32.703 1.00 0.90 C ATOM 1293 CG GLU A 82 -8.266 1.103 -32.940 1.00 1.53 C ATOM 1294 CD GLU A 82 -7.334 0.099 -32.295 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -7.502 -0.197 -31.091 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -6.432 -0.409 -32.991 1.00 2.91 O ATOM 0 H GLU A 82 -7.748 2.540 -35.169 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.648 3.532 -33.277 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -6.765 2.627 -32.915 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -7.967 2.782 -31.649 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -9.273 0.963 -32.548 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -8.313 0.913 -34.012 1.00 1.53 H new ATOM 1303 N GLU A 83 -7.012 5.319 -34.044 1.00 0.64 N ATOM 1304 CA GLU A 83 -6.395 6.641 -33.937 1.00 0.64 C ATOM 1305 C GLU A 83 -7.410 7.779 -34.120 1.00 0.55 C ATOM 1306 O GLU A 83 -7.504 8.691 -33.292 1.00 0.58 O ATOM 1307 CB GLU A 83 -5.329 6.768 -35.002 1.00 0.70 C ATOM 1308 CG GLU A 83 -4.505 8.015 -34.874 1.00 0.64 C ATOM 1309 CD GLU A 83 -3.411 7.856 -33.843 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -3.704 7.986 -32.635 1.00 1.66 O ATOM 1311 OE2 GLU A 83 -2.262 7.567 -34.225 1.00 1.46 O ATOM 0 H GLU A 83 -6.578 4.711 -34.739 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.973 6.729 -32.936 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.671 5.900 -34.953 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.803 6.754 -35.984 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -4.063 8.260 -35.840 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -5.148 8.850 -34.597 1.00 0.64 H new ATOM 1318 N LEU A 84 -8.174 7.690 -35.206 1.00 0.49 N ATOM 1319 CA LEU A 84 -9.157 8.713 -35.596 1.00 0.48 C ATOM 1320 C LEU A 84 -10.097 9.107 -34.463 1.00 0.52 C ATOM 1321 O LEU A 84 -10.572 10.238 -34.432 1.00 0.58 O ATOM 1322 CB LEU A 84 -10.014 8.235 -36.777 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.304 8.161 -38.127 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.268 7.700 -39.209 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.690 9.505 -38.490 1.00 0.51 C ATOM 0 H LEU A 84 -8.132 6.900 -35.850 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.566 9.585 -35.875 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.407 7.246 -36.540 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.870 8.903 -36.874 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.497 7.432 -38.050 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.746 7.653 -40.165 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.653 6.712 -38.956 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -11.097 8.404 -39.282 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -8.190 9.428 -39.455 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.474 10.260 -38.547 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.965 9.792 -37.728 1.00 0.51 H new ATOM 1337 N GLN A 85 -10.384 8.178 -33.557 1.00 0.57 N ATOM 1338 CA GLN A 85 -11.361 8.414 -32.490 1.00 0.67 C ATOM 1339 C GLN A 85 -11.049 9.684 -31.686 1.00 0.70 C ATOM 1340 O GLN A 85 -11.925 10.227 -31.015 1.00 0.81 O ATOM 1341 CB GLN A 85 -11.429 7.219 -31.529 1.00 0.75 C ATOM 1342 CG GLN A 85 -11.696 5.872 -32.192 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.732 5.934 -33.298 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.936 5.878 -33.047 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -12.266 5.992 -34.535 1.00 0.72 N ATOM 0 H GLN A 85 -9.956 7.253 -33.537 1.00 0.57 H new ATOM 0 HA GLN A 85 -12.325 8.545 -32.982 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -10.488 7.158 -30.983 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -12.212 7.407 -30.795 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -10.762 5.487 -32.602 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -12.028 5.163 -31.434 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -11.260 6.037 -34.700 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.912 5.991 -35.324 1.00 0.72 H new ATOM 1354 N ASN A 86 -9.809 10.157 -31.754 1.00 0.64 N ATOM 1355 CA ASN A 86 -9.399 11.335 -30.992 1.00 0.71 C ATOM 1356 C ASN A 86 -9.342 12.582 -31.874 1.00 0.67 C ATOM 1357 O ASN A 86 -9.103 13.688 -31.387 1.00 0.77 O ATOM 1358 CB ASN A 86 -8.030 11.103 -30.347 1.00 0.75 C ATOM 1359 CG ASN A 86 -7.998 9.861 -29.482 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -8.358 9.896 -28.304 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -7.554 8.752 -30.055 1.00 0.87 N ATOM 0 H ASN A 86 -9.072 9.746 -32.326 1.00 0.64 H new ATOM 0 HA ASN A 86 -10.146 11.498 -30.215 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -7.274 11.017 -31.128 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -7.766 11.970 -29.742 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -7.501 7.886 -29.518 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -7.265 8.764 -31.033 1.00 0.87 H new ATOM 1368 N ILE A 87 -9.580 12.404 -33.164 1.00 0.61 N ATOM 1369 CA ILE A 87 -9.449 13.491 -34.127 1.00 0.62 C ATOM 1370 C ILE A 87 -10.810 13.823 -34.733 1.00 0.67 C ATOM 1371 O ILE A 87 -11.684 12.959 -34.815 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.471 13.110 -35.264 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -7.234 12.413 -34.691 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -8.063 14.347 -36.055 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -6.283 11.890 -35.745 1.00 0.59 C ATOM 0 H ILE A 87 -9.866 11.514 -33.572 1.00 0.61 H new ATOM 0 HA ILE A 87 -9.057 14.360 -33.598 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.978 12.421 -35.939 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.700 13.113 -34.048 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.555 11.583 -34.061 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.375 14.060 -36.850 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.949 14.809 -36.491 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.573 15.058 -35.391 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -5.432 11.410 -35.261 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.800 11.165 -36.374 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.931 12.718 -36.360 1.00 0.59 H new ATOM 1387 N HIS A 88 -11.000 15.070 -35.145 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.248 15.462 -35.785 1.00 0.80 C ATOM 1389 C HIS A 88 -12.193 15.149 -37.276 1.00 0.76 C ATOM 1390 O HIS A 88 -13.051 14.445 -37.800 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.534 16.950 -35.561 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.878 17.387 -36.067 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -15.064 16.985 -35.494 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.218 18.198 -37.097 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.073 17.527 -36.149 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.590 18.270 -37.125 1.00 1.85 N ATOM 0 H HIS A 88 -10.314 15.819 -35.049 1.00 0.71 H new ATOM 0 HA HIS A 88 -13.060 14.891 -35.334 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.468 17.167 -34.495 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.760 17.538 -36.055 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -13.537 18.696 -37.771 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -17.120 17.386 -35.923 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.143 18.809 -37.791 1.00 1.85 H new ATOM 1405 N ALA A 89 -11.177 15.670 -37.953 1.00 0.69 N ATOM 1406 CA ALA A 89 -11.002 15.408 -39.375 1.00 0.68 C ATOM 1407 C ALA A 89 -9.525 15.296 -39.737 1.00 0.62 C ATOM 1408 O ALA A 89 -8.866 16.296 -40.025 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.672 16.493 -40.206 1.00 0.78 C ATOM 0 H ALA A 89 -10.465 16.274 -37.542 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.478 14.453 -39.600 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.530 16.280 -41.265 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.738 16.518 -39.980 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.228 17.460 -39.968 1.00 0.78 H new ATOM 1415 N PHE A 90 -9.000 14.083 -39.690 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.619 13.840 -40.074 1.00 0.47 C ATOM 1417 C PHE A 90 -7.529 13.608 -41.579 1.00 0.48 C ATOM 1418 O PHE A 90 -8.407 12.983 -42.173 1.00 0.63 O ATOM 1419 CB PHE A 90 -7.056 12.631 -39.318 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.587 12.399 -39.548 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.643 13.056 -38.777 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -5.151 11.523 -40.530 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.292 12.849 -38.983 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.801 11.313 -40.741 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.871 11.975 -39.966 1.00 0.49 C ATOM 0 H PHE A 90 -9.509 13.251 -39.390 1.00 0.52 H new ATOM 0 HA PHE A 90 -7.026 14.717 -39.814 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -7.229 12.769 -38.251 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.606 11.739 -39.618 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.966 13.739 -38.005 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.874 10.999 -41.137 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.566 13.370 -38.376 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.474 10.631 -41.512 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.816 11.810 -40.128 1.00 0.49 H new ATOM 1435 N SER A 91 -6.483 14.128 -42.193 1.00 0.44 N ATOM 1436 CA SER A 91 -6.262 13.939 -43.615 1.00 0.48 C ATOM 1437 C SER A 91 -4.775 13.731 -43.872 1.00 0.45 C ATOM 1438 O SER A 91 -3.944 14.106 -43.045 1.00 0.52 O ATOM 1439 CB SER A 91 -6.772 15.156 -44.385 1.00 0.56 C ATOM 1440 OG SER A 91 -8.079 15.518 -43.963 1.00 1.27 O ATOM 0 H SER A 91 -5.769 14.688 -41.727 1.00 0.44 H new ATOM 0 HA SER A 91 -6.808 13.059 -43.957 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.093 15.995 -44.236 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.779 14.938 -45.453 1.00 0.56 H new ATOM 0 HG SER A 91 -8.505 16.068 -44.653 1.00 1.27 H new ATOM 1446 N MET A 92 -4.437 13.125 -44.999 1.00 0.48 N ATOM 1447 CA MET A 92 -3.043 12.871 -45.323 1.00 0.48 C ATOM 1448 C MET A 92 -2.762 13.149 -46.793 1.00 0.53 C ATOM 1449 O MET A 92 -3.633 12.975 -47.649 1.00 0.62 O ATOM 1450 CB MET A 92 -2.652 11.425 -44.977 1.00 0.52 C ATOM 1451 CG MET A 92 -3.264 10.360 -45.885 1.00 0.61 C ATOM 1452 SD MET A 92 -5.055 10.197 -45.712 1.00 0.64 S ATOM 1453 CE MET A 92 -5.191 9.713 -43.993 1.00 0.64 C ATOM 0 H MET A 92 -5.104 12.802 -45.700 1.00 0.48 H new ATOM 0 HA MET A 92 -2.438 13.549 -44.721 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.566 11.337 -45.019 1.00 0.52 H new ATOM 0 HB3 MET A 92 -2.949 11.220 -43.949 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.029 10.601 -46.922 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.798 9.399 -45.667 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.150 9.223 -43.828 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.384 9.024 -43.744 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.122 10.597 -43.359 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.553 13.609 -47.068 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.092 13.842 -48.429 1.00 0.59 C ATOM 1465 C LYS A 93 0.069 12.914 -48.743 1.00 0.49 C ATOM 1466 O LYS A 93 1.164 13.078 -48.203 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.639 15.295 -48.609 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.721 16.254 -49.090 1.00 1.14 C ATOM 1469 CD LYS A 93 -2.937 16.256 -48.184 1.00 1.44 C ATOM 1470 CE LYS A 93 -3.769 17.509 -48.388 1.00 1.93 C ATOM 1471 NZ LYS A 93 -3.075 18.710 -47.858 1.00 2.23 N ATOM 0 H LYS A 93 -0.861 13.832 -46.353 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.920 13.645 -49.110 1.00 0.59 H new ATOM 0 HB2 LYS A 93 -0.250 15.658 -47.658 1.00 0.70 H new ATOM 0 HB3 LYS A 93 0.186 15.317 -49.321 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -1.311 17.262 -49.145 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -2.024 15.978 -50.100 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -3.546 15.375 -48.386 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.619 16.192 -47.143 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -3.973 17.644 -49.450 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -4.732 17.394 -47.890 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -3.776 19.445 -47.633 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -2.551 18.456 -46.996 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -2.412 19.071 -48.573 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.169 11.940 -49.601 1.00 0.56 N ATOM 1486 CA CYS A 94 0.852 10.964 -49.938 1.00 0.54 C ATOM 1487 C CYS A 94 1.742 11.484 -51.061 1.00 0.52 C ATOM 1488 O CYS A 94 1.254 11.863 -52.126 1.00 0.64 O ATOM 1489 CB CYS A 94 0.197 9.642 -50.338 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.101 9.818 -51.582 1.00 1.38 S ATOM 0 H CYS A 94 -1.060 11.803 -50.078 1.00 0.56 H new ATOM 0 HA CYS A 94 1.478 10.794 -49.062 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.964 8.968 -50.720 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.226 9.173 -49.449 1.00 0.73 H new ATOM 0 HG CYS A 94 -0.842 9.042 -52.592 1.00 1.38 H new ATOM 1496 N HIS A 95 3.043 11.527 -50.805 1.00 0.44 N ATOM 1497 CA HIS A 95 4.004 11.988 -51.797 1.00 0.50 C ATOM 1498 C HIS A 95 5.302 11.198 -51.707 1.00 0.44 C ATOM 1499 O HIS A 95 5.591 10.559 -50.693 1.00 0.44 O ATOM 1500 CB HIS A 95 4.287 13.483 -51.626 1.00 0.62 C ATOM 1501 CG HIS A 95 3.470 14.357 -52.530 1.00 0.95 C ATOM 1502 ND1 HIS A 95 2.203 14.797 -52.220 1.00 1.36 N ATOM 1503 CD2 HIS A 95 3.757 14.876 -53.746 1.00 1.84 C ATOM 1504 CE1 HIS A 95 1.747 15.549 -53.207 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.671 15.612 -54.147 1.00 1.98 N ATOM 0 H HIS A 95 3.457 11.247 -49.916 1.00 0.44 H new ATOM 0 HA HIS A 95 3.567 11.825 -52.782 1.00 0.50 H new ATOM 0 HB2 HIS A 95 4.094 13.764 -50.591 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.345 13.668 -51.815 1.00 0.62 H new ATOM 0 HD2 HIS A 95 4.674 14.736 -54.300 1.00 1.84 H new ATOM 0 HE1 HIS A 95 0.781 16.031 -53.239 1.00 1.65 H new ATOM 0 HE2 HIS A 95 2.591 16.123 -55.026 1.00 1.98 H new ATOM 1514 N THR A 96 6.071 11.244 -52.780 1.00 0.46 N ATOM 1515 CA THR A 96 7.338 10.544 -52.851 1.00 0.49 C ATOM 1516 C THR A 96 8.506 11.502 -52.659 1.00 0.46 C ATOM 1517 O THR A 96 8.390 12.703 -52.932 1.00 0.47 O ATOM 1518 CB THR A 96 7.486 9.831 -54.206 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.083 10.709 -55.269 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.653 8.564 -54.235 1.00 0.65 C ATOM 0 H THR A 96 5.835 11.766 -53.624 1.00 0.46 H new ATOM 0 HA THR A 96 7.351 9.806 -52.048 1.00 0.49 H new ATOM 0 HB THR A 96 8.533 9.560 -54.344 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.182 10.249 -56.129 1.00 0.76 H new ATOM 0 HG21 THR A 96 6.770 8.073 -55.201 1.00 0.65 H new ATOM 0 HG22 THR A 96 6.985 7.892 -53.444 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.604 8.815 -54.081 1.00 0.65 H new ATOM 1528 N PRO A 97 9.646 10.987 -52.167 1.00 0.47 N ATOM 1529 CA PRO A 97 10.876 11.772 -52.031 1.00 0.48 C ATOM 1530 C PRO A 97 11.329 12.345 -53.368 1.00 0.52 C ATOM 1531 O PRO A 97 11.958 13.395 -53.417 1.00 0.54 O ATOM 1532 CB PRO A 97 11.899 10.762 -51.506 1.00 0.53 C ATOM 1533 CG PRO A 97 11.085 9.686 -50.878 1.00 0.72 C ATOM 1534 CD PRO A 97 9.821 9.607 -51.685 1.00 0.51 C ATOM 0 HA PRO A 97 10.743 12.631 -51.373 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.517 10.370 -52.313 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.573 11.221 -50.783 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.617 8.735 -50.891 1.00 0.72 H new ATOM 0 HG3 PRO A 97 10.869 9.917 -49.835 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.913 8.900 -52.510 1.00 0.51 H new ATOM 0 HD3 PRO A 97 8.976 9.281 -51.079 1.00 0.51 H new ATOM 1542 N LEU A 98 10.991 11.642 -54.446 1.00 0.60 N ATOM 1543 CA LEU A 98 11.307 12.086 -55.799 1.00 0.71 C ATOM 1544 C LEU A 98 10.745 13.490 -56.042 1.00 0.66 C ATOM 1545 O LEU A 98 11.446 14.375 -56.540 1.00 0.71 O ATOM 1546 CB LEU A 98 10.719 11.090 -56.811 1.00 0.88 C ATOM 1547 CG LEU A 98 11.493 10.916 -58.125 1.00 1.34 C ATOM 1548 CD1 LEU A 98 11.483 12.194 -58.950 1.00 2.08 C ATOM 1549 CD2 LEU A 98 12.918 10.466 -57.843 1.00 1.78 C ATOM 0 H LEU A 98 10.493 10.753 -54.406 1.00 0.60 H new ATOM 0 HA LEU A 98 12.389 12.126 -55.923 1.00 0.71 H new ATOM 0 HB2 LEU A 98 10.643 10.116 -56.327 1.00 0.88 H new ATOM 0 HB3 LEU A 98 9.704 11.406 -57.052 1.00 0.88 H new ATOM 0 HG LEU A 98 10.993 10.145 -58.711 1.00 1.34 H new ATOM 0 HD11 LEU A 98 12.040 12.035 -59.873 1.00 2.08 H new ATOM 0 HD12 LEU A 98 10.455 12.465 -59.189 1.00 2.08 H new ATOM 0 HD13 LEU A 98 11.947 12.999 -58.380 1.00 2.08 H new ATOM 0 HD21 LEU A 98 13.455 10.347 -58.784 1.00 1.78 H new ATOM 0 HD22 LEU A 98 13.421 11.214 -57.230 1.00 1.78 H new ATOM 0 HD23 LEU A 98 12.901 9.514 -57.312 1.00 1.78 H new ATOM 1561 N GLU A 99 9.481 13.678 -55.665 1.00 0.65 N ATOM 1562 CA GLU A 99 8.803 14.962 -55.816 1.00 0.72 C ATOM 1563 C GLU A 99 9.425 16.011 -54.897 1.00 0.64 C ATOM 1564 O GLU A 99 9.814 17.095 -55.339 1.00 0.71 O ATOM 1565 CB GLU A 99 7.316 14.801 -55.475 1.00 0.88 C ATOM 1566 CG GLU A 99 6.524 16.099 -55.515 1.00 1.19 C ATOM 1567 CD GLU A 99 6.221 16.565 -56.923 1.00 1.91 C ATOM 1568 OE1 GLU A 99 7.076 17.235 -57.537 1.00 2.44 O ATOM 1569 OE2 GLU A 99 5.114 16.267 -57.417 1.00 2.69 O ATOM 0 H GLU A 99 8.902 12.949 -55.249 1.00 0.65 H new ATOM 0 HA GLU A 99 8.912 15.293 -56.849 1.00 0.72 H new ATOM 0 HB2 GLU A 99 6.869 14.094 -56.174 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.228 14.365 -54.480 1.00 0.88 H new ATOM 0 HG2 GLU A 99 5.588 15.963 -54.974 1.00 1.19 H new ATOM 0 HG3 GLU A 99 7.084 16.876 -54.994 1.00 1.19 H new ATOM 1576 N TYR A 100 9.539 15.668 -53.616 1.00 0.57 N ATOM 1577 CA TYR A 100 10.039 16.601 -52.611 1.00 0.63 C ATOM 1578 C TYR A 100 11.474 17.015 -52.917 1.00 0.66 C ATOM 1579 O TYR A 100 11.879 18.139 -52.628 1.00 0.76 O ATOM 1580 CB TYR A 100 9.950 15.983 -51.210 1.00 0.67 C ATOM 1581 CG TYR A 100 10.232 16.972 -50.102 1.00 0.85 C ATOM 1582 CD1 TYR A 100 9.280 17.914 -49.730 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.449 16.970 -49.434 1.00 0.96 C ATOM 1584 CE1 TYR A 100 9.535 18.824 -48.724 1.00 1.17 C ATOM 1585 CE2 TYR A 100 11.711 17.877 -48.427 1.00 1.15 C ATOM 1586 CZ TYR A 100 10.751 18.802 -48.076 1.00 1.24 C ATOM 1587 OH TYR A 100 11.009 19.711 -47.076 1.00 1.46 O ATOM 0 H TYR A 100 9.291 14.749 -53.250 1.00 0.57 H new ATOM 0 HA TYR A 100 9.413 17.493 -52.639 1.00 0.63 H new ATOM 0 HB2 TYR A 100 8.954 15.563 -51.068 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.657 15.157 -51.139 1.00 0.67 H new ATOM 0 HD1 TYR A 100 8.326 17.934 -50.236 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.203 16.247 -49.707 1.00 0.96 H new ATOM 0 HE1 TYR A 100 8.785 19.550 -48.446 1.00 1.17 H new ATOM 0 HE2 TYR A 100 12.663 17.862 -47.917 1.00 1.15 H new ATOM 0 HH TYR A 100 10.630 19.386 -46.233 1.00 1.46 H new ATOM 1597 N ASP A 101 12.232 16.098 -53.506 1.00 0.66 N ATOM 1598 CA ASP A 101 13.623 16.343 -53.886 1.00 0.78 C ATOM 1599 C ASP A 101 13.738 17.572 -54.790 1.00 0.81 C ATOM 1600 O ASP A 101 14.721 18.306 -54.732 1.00 0.93 O ATOM 1601 CB ASP A 101 14.186 15.104 -54.588 1.00 0.88 C ATOM 1602 CG ASP A 101 15.674 15.187 -54.858 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.468 14.992 -53.913 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.056 15.399 -56.027 1.00 1.14 O ATOM 0 H ASP A 101 11.901 15.161 -53.735 1.00 0.66 H new ATOM 0 HA ASP A 101 14.203 16.541 -52.985 1.00 0.78 H new ATOM 0 HB2 ASP A 101 13.984 14.226 -53.975 1.00 0.88 H new ATOM 0 HB3 ASP A 101 13.661 14.961 -55.532 1.00 0.88 H new ATOM 1609 N LYS A 102 12.719 17.796 -55.614 1.00 0.75 N ATOM 1610 CA LYS A 102 12.681 18.975 -56.476 1.00 0.84 C ATOM 1611 C LYS A 102 12.307 20.211 -55.663 1.00 0.89 C ATOM 1612 O LYS A 102 12.911 21.273 -55.811 1.00 1.05 O ATOM 1613 CB LYS A 102 11.668 18.797 -57.621 1.00 0.88 C ATOM 1614 CG LYS A 102 12.217 18.145 -58.891 1.00 1.03 C ATOM 1615 CD LYS A 102 12.514 16.662 -58.718 1.00 1.09 C ATOM 1616 CE LYS A 102 13.919 16.424 -58.194 1.00 1.86 C ATOM 1617 NZ LYS A 102 14.177 14.986 -57.938 1.00 2.66 N ATOM 0 H LYS A 102 11.911 17.180 -55.704 1.00 0.75 H new ATOM 0 HA LYS A 102 13.675 19.103 -56.905 1.00 0.84 H new ATOM 0 HB2 LYS A 102 10.835 18.196 -57.256 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.265 19.776 -57.881 1.00 0.88 H new ATOM 0 HG2 LYS A 102 11.497 18.274 -59.699 1.00 1.03 H new ATOM 0 HG3 LYS A 102 13.129 18.660 -59.192 1.00 1.03 H new ATOM 0 HD2 LYS A 102 11.791 16.225 -58.030 1.00 1.09 H new ATOM 0 HD3 LYS A 102 12.392 16.153 -59.674 1.00 1.09 H new ATOM 0 HE2 LYS A 102 14.644 16.800 -58.916 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.064 16.988 -57.273 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 14.947 14.889 -57.246 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 13.316 14.540 -57.562 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 14.449 14.519 -58.826 1.00 2.66 H new ATOM 1631 N LEU A 103 11.314 20.053 -54.794 1.00 0.83 N ATOM 1632 CA LEU A 103 10.780 21.159 -54.007 1.00 0.97 C ATOM 1633 C LEU A 103 11.819 21.703 -53.030 1.00 1.12 C ATOM 1634 O LEU A 103 12.063 22.907 -52.986 1.00 1.31 O ATOM 1635 CB LEU A 103 9.534 20.704 -53.242 1.00 0.98 C ATOM 1636 CG LEU A 103 8.400 20.153 -54.112 1.00 0.91 C ATOM 1637 CD1 LEU A 103 7.244 19.683 -53.244 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.927 21.205 -55.104 1.00 1.00 C ATOM 0 H LEU A 103 10.858 19.158 -54.616 1.00 0.83 H new ATOM 0 HA LEU A 103 10.513 21.961 -54.695 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.827 19.936 -52.526 1.00 0.98 H new ATOM 0 HB3 LEU A 103 9.152 21.547 -52.667 1.00 0.98 H new ATOM 0 HG LEU A 103 8.781 19.299 -54.672 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.447 19.295 -53.878 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.589 18.897 -52.573 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.865 20.520 -52.658 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.121 20.795 -55.713 1.00 1.00 H new ATOM 0 HD22 LEU A 103 7.564 22.079 -54.563 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.756 21.496 -55.748 1.00 1.00 H new