USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=24 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 Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -2.7! C(o=-4.1!,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.31 (180deg=0.96) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.465 (180deg=-1.18) USER MOD Single : A 34 SER OG : rot 71:sc= 1.21 USER MOD Single : A 35 SER OG : rot 64:sc= 1.31 USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0269 (180deg=-0.207) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0385 (180deg=-0.269) USER MOD Single : A 54 SER OG : rot 35:sc= -0.0853 USER MOD Single : A 61 SER OG : rot 180:sc= -0.168 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.167 F(o=-2.3,f=-0.17) USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0366 F(o=-1.9!,f=-0.037) USER MOD Single : A 78 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 81 LYS NZ :NH3+ -173:sc=-0.00422 (180deg=-0.141) USER MOD Single : A 85 GLN : amide:sc= 0.967 K(o=0.97,f=-0.1) USER MOD Single : A 86 ASN : amide:sc= 0.23 X(o=0.23,f=-0.0062) USER MOD Single : A 88 HIS : no HD1:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 91 SER OG : rot 100:sc= 0.848 USER MOD Single : A 92 MET CE :methyl -127:sc= -0.819 (180deg=-2.18) USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= 1.03 (180deg=0.769) USER MOD Single : A 94 CYS SG : rot 79:sc= 0.302 USER MOD Single : A 95 HIS : no HE2:sc=-0.00678 K(o=-0.0068,f=-0.63) USER MOD Single : A 96 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 1.09 (180deg=0.954) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 0.892 13.840 -24.562 1.00 1.24 N ATOM 359 CA CYS A 24 0.395 14.720 -25.598 1.00 0.95 C ATOM 360 C CYS A 24 -0.273 13.906 -26.696 1.00 0.84 C ATOM 361 O CYS A 24 0.345 13.007 -27.269 1.00 0.77 O ATOM 362 CB CYS A 24 1.548 15.540 -26.183 1.00 0.99 C ATOM 363 SG CYS A 24 2.550 16.392 -24.943 1.00 1.71 S ATOM 0 HA CYS A 24 -0.339 15.399 -25.164 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.192 14.879 -26.764 1.00 0.99 H new ATOM 0 HB3 CYS A 24 1.141 16.277 -26.875 1.00 0.99 H new ATOM 0 HG CYS A 24 3.499 17.056 -25.533 1.00 1.71 H new ATOM 369 N ILE A 25 -1.531 14.228 -26.984 1.00 0.89 N ATOM 370 CA ILE A 25 -2.287 13.534 -28.019 1.00 0.88 C ATOM 371 C ILE A 25 -1.551 13.627 -29.358 1.00 0.74 C ATOM 372 O ILE A 25 -1.533 12.676 -30.135 1.00 0.71 O ATOM 373 CB ILE A 25 -3.738 14.098 -28.118 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.599 13.306 -29.121 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.728 15.584 -28.465 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.499 13.777 -30.563 1.00 1.37 C ATOM 0 H ILE A 25 -2.049 14.969 -26.512 1.00 0.89 H new ATOM 0 HA ILE A 25 -2.368 12.480 -27.752 1.00 0.88 H new ATOM 0 HB ILE A 25 -4.194 13.979 -27.135 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -4.309 12.256 -29.076 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -5.641 13.363 -28.807 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.753 15.950 -28.527 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -3.192 16.135 -27.692 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.231 15.730 -29.424 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -5.139 13.159 -31.193 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -4.819 14.817 -30.629 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -3.467 13.693 -30.902 1.00 1.37 H new ATOM 388 N GLN A 26 -0.903 14.766 -29.587 1.00 0.69 N ATOM 389 CA GLN A 26 -0.110 14.982 -30.791 1.00 0.64 C ATOM 390 C GLN A 26 0.975 13.918 -30.927 1.00 0.56 C ATOM 391 O GLN A 26 1.058 13.226 -31.940 1.00 0.59 O ATOM 392 CB GLN A 26 0.527 16.375 -30.748 1.00 0.70 C ATOM 393 CG GLN A 26 1.488 16.657 -31.896 1.00 0.80 C ATOM 394 CD GLN A 26 0.811 16.635 -33.252 1.00 1.23 C ATOM 395 OE1 GLN A 26 1.558 16.257 -34.274 1.00 1.75 O flip ATOM 396 NE2 GLN A 26 -0.370 16.958 -33.378 1.00 1.54 N flip ATOM 0 H GLN A 26 -0.913 15.560 -28.947 1.00 0.69 H new ATOM 0 HA GLN A 26 -0.769 14.910 -31.656 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.264 17.125 -30.759 1.00 0.70 H new ATOM 0 HB3 GLN A 26 1.062 16.489 -29.805 1.00 0.70 H new ATOM 0 HG2 GLN A 26 1.952 17.631 -31.743 1.00 0.80 H new ATOM 0 HG3 GLN A 26 2.288 15.917 -31.883 1.00 0.80 H new ATOM 0 HE21 GLN A 26 -0.911 17.244 -32.562 1.00 1.54 H new ATOM 0 HE22 GLN A 26 -0.808 16.940 -34.299 1.00 1.54 H new ATOM 405 N LYS A 27 1.778 13.769 -29.876 1.00 0.56 N ATOM 406 CA LYS A 27 2.940 12.888 -29.912 1.00 0.60 C ATOM 407 C LYS A 27 2.519 11.433 -30.104 1.00 0.58 C ATOM 408 O LYS A 27 3.155 10.692 -30.857 1.00 0.58 O ATOM 409 CB LYS A 27 3.756 13.023 -28.622 1.00 0.75 C ATOM 410 CG LYS A 27 5.144 12.415 -28.724 1.00 1.27 C ATOM 411 CD LYS A 27 6.063 13.277 -29.575 1.00 1.53 C ATOM 412 CE LYS A 27 6.963 12.437 -30.468 1.00 1.93 C ATOM 413 NZ LYS A 27 6.175 11.717 -31.502 1.00 2.50 N ATOM 0 H LYS A 27 1.643 14.249 -28.986 1.00 0.56 H new ATOM 0 HA LYS A 27 3.557 13.186 -30.759 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.847 14.079 -28.366 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.215 12.543 -27.806 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.568 12.302 -27.726 1.00 1.27 H new ATOM 0 HG3 LYS A 27 5.075 11.417 -29.156 1.00 1.27 H new ATOM 0 HD2 LYS A 27 5.464 13.947 -30.191 1.00 1.53 H new ATOM 0 HD3 LYS A 27 6.677 13.903 -28.927 1.00 1.53 H new ATOM 0 HE2 LYS A 27 7.701 13.078 -30.951 1.00 1.93 H new ATOM 0 HE3 LYS A 27 7.513 11.718 -29.861 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 6.822 11.276 -32.187 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 5.597 10.981 -31.048 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 5.554 12.389 -31.996 1.00 2.50 H new ATOM 427 N VAL A 28 1.445 11.037 -29.424 1.00 0.62 N ATOM 428 CA VAL A 28 0.946 9.664 -29.494 1.00 0.68 C ATOM 429 C VAL A 28 0.554 9.296 -30.921 1.00 0.62 C ATOM 430 O VAL A 28 0.930 8.233 -31.424 1.00 0.62 O ATOM 431 CB VAL A 28 -0.268 9.453 -28.560 1.00 0.77 C ATOM 432 CG1 VAL A 28 -0.781 8.022 -28.651 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.096 9.794 -27.122 1.00 1.04 C ATOM 0 H VAL A 28 0.901 11.650 -28.816 1.00 0.62 H new ATOM 0 HA VAL A 28 1.757 9.015 -29.165 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.064 10.123 -28.885 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.635 7.899 -27.985 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.086 7.809 -29.676 1.00 1.03 H new ATOM 0 HG13 VAL A 28 0.011 7.332 -28.358 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.772 9.639 -26.481 1.00 1.04 H new ATOM 0 HG22 VAL A 28 0.912 9.151 -26.791 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.409 10.836 -27.063 1.00 1.04 H new ATOM 443 N ILE A 29 -0.189 10.188 -31.568 1.00 0.60 N ATOM 444 CA ILE A 29 -0.620 9.978 -32.946 1.00 0.57 C ATOM 445 C ILE A 29 0.588 9.804 -33.860 1.00 0.52 C ATOM 446 O ILE A 29 0.651 8.864 -34.655 1.00 0.51 O ATOM 447 CB ILE A 29 -1.521 11.149 -33.438 1.00 0.62 C ATOM 448 CG1 ILE A 29 -2.993 10.886 -33.096 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.375 11.378 -34.936 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.252 10.581 -31.635 1.00 0.79 C ATOM 0 H ILE A 29 -0.506 11.067 -31.158 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.215 9.065 -32.980 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.189 12.049 -32.920 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.581 11.758 -33.382 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.349 10.050 -33.698 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.019 12.203 -35.242 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.338 11.622 -35.167 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.664 10.474 -35.472 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.317 10.408 -31.483 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.695 9.690 -31.345 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -2.930 11.425 -31.025 1.00 0.79 H new ATOM 462 N GLU A 30 1.567 10.690 -33.711 1.00 0.53 N ATOM 463 CA GLU A 30 2.781 10.631 -34.513 1.00 0.55 C ATOM 464 C GLU A 30 3.459 9.276 -34.377 1.00 0.55 C ATOM 465 O GLU A 30 3.754 8.619 -35.371 1.00 0.58 O ATOM 466 CB GLU A 30 3.763 11.717 -34.084 1.00 0.64 C ATOM 467 CG GLU A 30 3.194 13.118 -34.135 1.00 0.99 C ATOM 468 CD GLU A 30 4.149 14.138 -33.559 1.00 1.49 C ATOM 469 OE1 GLU A 30 4.914 13.779 -32.635 1.00 1.84 O ATOM 470 OE2 GLU A 30 4.135 15.292 -34.025 1.00 2.20 O ATOM 0 H GLU A 30 1.542 11.458 -33.041 1.00 0.53 H new ATOM 0 HA GLU A 30 2.493 10.787 -35.552 1.00 0.55 H new ATOM 0 HB2 GLU A 30 4.097 11.509 -33.068 1.00 0.64 H new ATOM 0 HB3 GLU A 30 4.643 11.670 -34.725 1.00 0.64 H new ATOM 0 HG2 GLU A 30 2.965 13.379 -35.168 1.00 0.99 H new ATOM 0 HG3 GLU A 30 2.255 13.148 -33.583 1.00 0.99 H new ATOM 477 N ASP A 31 3.686 8.860 -33.138 1.00 0.57 N ATOM 478 CA ASP A 31 4.479 7.666 -32.863 1.00 0.64 C ATOM 479 C ASP A 31 3.845 6.395 -33.415 1.00 0.57 C ATOM 480 O ASP A 31 4.554 5.510 -33.894 1.00 0.61 O ATOM 481 CB ASP A 31 4.735 7.512 -31.363 1.00 0.80 C ATOM 482 CG ASP A 31 5.843 8.424 -30.878 1.00 1.05 C ATOM 483 OD1 ASP A 31 6.981 8.293 -31.377 1.00 1.17 O ATOM 484 OD2 ASP A 31 5.583 9.285 -30.012 1.00 1.67 O ATOM 0 H ASP A 31 3.332 9.331 -32.306 1.00 0.57 H new ATOM 0 HA ASP A 31 5.429 7.806 -33.379 1.00 0.64 H new ATOM 0 HB2 ASP A 31 3.819 7.732 -30.815 1.00 0.80 H new ATOM 0 HB3 ASP A 31 4.996 6.477 -31.145 1.00 0.80 H new ATOM 489 N LYS A 32 2.524 6.299 -33.366 1.00 0.53 N ATOM 490 CA LYS A 32 1.853 5.087 -33.816 1.00 0.55 C ATOM 491 C LYS A 32 1.887 4.957 -35.338 1.00 0.48 C ATOM 492 O LYS A 32 2.245 3.900 -35.863 1.00 0.52 O ATOM 493 CB LYS A 32 0.414 5.014 -33.286 1.00 0.67 C ATOM 494 CG LYS A 32 0.348 4.868 -31.769 1.00 0.97 C ATOM 495 CD LYS A 32 -1.039 4.475 -31.265 1.00 1.09 C ATOM 496 CE LYS A 32 -2.083 5.543 -31.545 1.00 1.51 C ATOM 497 NZ LYS A 32 -2.703 5.384 -32.887 1.00 2.03 N ATOM 0 H LYS A 32 1.903 7.033 -33.025 1.00 0.53 H new ATOM 0 HA LYS A 32 2.402 4.241 -33.403 1.00 0.55 H new ATOM 0 HB2 LYS A 32 -0.124 5.914 -33.583 1.00 0.67 H new ATOM 0 HB3 LYS A 32 -0.097 4.170 -33.750 1.00 0.67 H new ATOM 0 HG2 LYS A 32 1.070 4.116 -31.451 1.00 0.97 H new ATOM 0 HG3 LYS A 32 0.643 5.810 -31.306 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -1.343 3.541 -31.738 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -0.993 4.289 -30.192 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -2.859 5.499 -30.781 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -1.621 6.528 -31.474 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -3.138 6.283 -33.177 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -1.973 5.114 -33.577 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -3.432 4.644 -32.847 1.00 2.03 H new ATOM 511 N LEU A 33 1.544 6.026 -36.051 1.00 0.44 N ATOM 512 CA LEU A 33 1.535 5.974 -37.512 1.00 0.44 C ATOM 513 C LEU A 33 2.955 5.990 -38.089 1.00 0.46 C ATOM 514 O LEU A 33 3.210 5.384 -39.133 1.00 0.51 O ATOM 515 CB LEU A 33 0.680 7.113 -38.104 1.00 0.47 C ATOM 516 CG LEU A 33 1.085 8.548 -37.739 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.204 9.059 -38.635 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.120 9.470 -37.825 1.00 0.55 C ATOM 0 H LEU A 33 1.273 6.924 -35.651 1.00 0.44 H new ATOM 0 HA LEU A 33 1.079 5.027 -37.801 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.698 7.021 -39.190 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.352 6.961 -37.789 1.00 0.47 H new ATOM 0 HG LEU A 33 1.458 8.539 -36.715 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.464 10.078 -38.347 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.078 8.417 -38.527 1.00 0.57 H new ATOM 0 HD13 LEU A 33 1.872 9.049 -39.673 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.179 10.485 -37.564 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.516 9.458 -38.841 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.889 9.129 -37.132 1.00 0.55 H new ATOM 530 N SER A 34 3.885 6.656 -37.405 1.00 0.47 N ATOM 531 CA SER A 34 5.258 6.759 -37.898 1.00 0.53 C ATOM 532 C SER A 34 5.968 5.412 -37.851 1.00 0.54 C ATOM 533 O SER A 34 6.791 5.118 -38.711 1.00 0.59 O ATOM 534 CB SER A 34 6.060 7.793 -37.104 1.00 0.60 C ATOM 535 OG SER A 34 5.516 9.092 -37.264 1.00 1.29 O ATOM 0 H SER A 34 3.715 7.128 -36.517 1.00 0.47 H new ATOM 0 HA SER A 34 5.198 7.086 -38.936 1.00 0.53 H new ATOM 0 HB2 SER A 34 6.062 7.524 -36.048 1.00 0.60 H new ATOM 0 HB3 SER A 34 7.098 7.786 -37.437 1.00 0.60 H new ATOM 0 HG SER A 34 4.657 9.147 -36.795 1.00 1.29 H new ATOM 541 N SER A 35 5.641 4.596 -36.856 1.00 0.55 N ATOM 542 CA SER A 35 6.240 3.273 -36.729 1.00 0.62 C ATOM 543 C SER A 35 5.782 2.358 -37.865 1.00 0.59 C ATOM 544 O SER A 35 6.489 1.428 -38.253 1.00 0.65 O ATOM 545 CB SER A 35 5.874 2.662 -35.374 1.00 0.72 C ATOM 546 OG SER A 35 6.266 3.517 -34.312 1.00 0.78 O ATOM 0 H SER A 35 4.966 4.826 -36.127 1.00 0.55 H new ATOM 0 HA SER A 35 7.323 3.376 -36.792 1.00 0.62 H new ATOM 0 HB2 SER A 35 4.799 2.487 -35.328 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.360 1.693 -35.264 1.00 0.72 H new ATOM 0 HG SER A 35 5.761 4.355 -34.364 1.00 0.78 H new ATOM 552 N ALA A 36 4.595 2.630 -38.396 1.00 0.54 N ATOM 553 CA ALA A 36 4.030 1.806 -39.453 1.00 0.57 C ATOM 554 C ALA A 36 4.435 2.306 -40.839 1.00 0.51 C ATOM 555 O ALA A 36 4.954 1.545 -41.657 1.00 0.52 O ATOM 556 CB ALA A 36 2.513 1.766 -39.330 1.00 0.64 C ATOM 0 H ALA A 36 4.008 3.414 -38.111 1.00 0.54 H new ATOM 0 HA ALA A 36 4.428 0.798 -39.337 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.100 1.147 -40.126 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.237 1.346 -38.363 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.114 2.777 -39.413 1.00 0.64 H new ATOM 562 N LEU A 37 4.204 3.587 -41.098 1.00 0.50 N ATOM 563 CA LEU A 37 4.421 4.149 -42.428 1.00 0.53 C ATOM 564 C LEU A 37 5.875 4.567 -42.635 1.00 0.52 C ATOM 565 O LEU A 37 6.401 4.469 -43.743 1.00 0.62 O ATOM 566 CB LEU A 37 3.495 5.346 -42.646 1.00 0.57 C ATOM 567 CG LEU A 37 2.003 5.056 -42.452 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.179 6.312 -42.690 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.548 3.934 -43.376 1.00 0.94 C ATOM 0 H LEU A 37 3.867 4.257 -40.407 1.00 0.50 H new ATOM 0 HA LEU A 37 4.192 3.373 -43.159 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.787 6.141 -41.960 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.647 5.725 -43.657 1.00 0.57 H new ATOM 0 HG LEU A 37 1.849 4.734 -41.422 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.122 6.086 -42.548 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.483 7.086 -41.985 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.340 6.666 -43.708 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.486 3.744 -43.222 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.718 4.225 -44.413 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.114 3.029 -43.155 1.00 0.94 H new ATOM 581 N LYS A 38 6.513 5.016 -41.557 1.00 0.47 N ATOM 582 CA LYS A 38 7.898 5.496 -41.594 1.00 0.52 C ATOM 583 C LYS A 38 8.095 6.614 -42.622 1.00 0.47 C ATOM 584 O LYS A 38 8.642 6.393 -43.706 1.00 0.54 O ATOM 585 CB LYS A 38 8.873 4.345 -41.869 1.00 0.70 C ATOM 586 CG LYS A 38 8.988 3.355 -40.719 1.00 1.32 C ATOM 587 CD LYS A 38 9.623 3.989 -39.489 1.00 1.93 C ATOM 588 CE LYS A 38 11.057 4.427 -39.754 1.00 2.67 C ATOM 589 NZ LYS A 38 11.929 3.283 -40.128 1.00 3.36 N ATOM 0 H LYS A 38 6.087 5.059 -40.631 1.00 0.47 H new ATOM 0 HA LYS A 38 8.113 5.911 -40.609 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.551 3.813 -42.764 1.00 0.70 H new ATOM 0 HB3 LYS A 38 9.859 4.758 -42.081 1.00 0.70 H new ATOM 0 HG2 LYS A 38 7.998 2.978 -40.463 1.00 1.32 H new ATOM 0 HG3 LYS A 38 9.583 2.498 -41.035 1.00 1.32 H new ATOM 0 HD2 LYS A 38 9.032 4.850 -39.178 1.00 1.93 H new ATOM 0 HD3 LYS A 38 9.607 3.277 -38.664 1.00 1.93 H new ATOM 0 HE2 LYS A 38 11.068 5.168 -40.554 1.00 2.67 H new ATOM 0 HE3 LYS A 38 11.458 4.913 -38.864 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 12.926 3.577 -40.085 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 11.772 2.496 -39.467 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 11.701 2.974 -41.095 1.00 3.36 H new ATOM 603 N PRO A 39 7.629 7.831 -42.304 1.00 0.46 N ATOM 604 CA PRO A 39 7.840 8.995 -43.155 1.00 0.47 C ATOM 605 C PRO A 39 9.210 9.630 -42.926 1.00 0.51 C ATOM 606 O PRO A 39 9.628 9.837 -41.781 1.00 0.63 O ATOM 607 CB PRO A 39 6.724 9.944 -42.726 1.00 0.50 C ATOM 608 CG PRO A 39 6.465 9.613 -41.294 1.00 0.54 C ATOM 609 CD PRO A 39 6.842 8.164 -41.101 1.00 0.52 C ATOM 0 HA PRO A 39 7.818 8.745 -44.216 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.025 10.985 -42.842 1.00 0.50 H new ATOM 0 HB3 PRO A 39 5.829 9.801 -43.332 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.052 10.255 -40.637 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.417 9.775 -41.044 1.00 0.54 H new ATOM 0 HD2 PRO A 39 7.426 8.022 -40.191 1.00 0.52 H new ATOM 0 HD3 PRO A 39 5.959 7.531 -41.015 1.00 0.52 H new ATOM 617 N THR A 40 9.902 9.939 -44.013 1.00 0.52 N ATOM 618 CA THR A 40 11.209 10.568 -43.935 1.00 0.61 C ATOM 619 C THR A 40 11.055 12.026 -43.517 1.00 0.62 C ATOM 620 O THR A 40 11.921 12.603 -42.856 1.00 0.73 O ATOM 621 CB THR A 40 11.943 10.480 -45.290 1.00 0.67 C ATOM 622 OG1 THR A 40 11.109 10.997 -46.336 1.00 0.70 O ATOM 623 CG2 THR A 40 12.321 9.041 -45.611 1.00 0.71 C ATOM 0 H THR A 40 9.576 9.763 -44.963 1.00 0.52 H new ATOM 0 HA THR A 40 11.804 10.040 -43.190 1.00 0.61 H new ATOM 0 HB THR A 40 12.854 11.075 -45.220 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.583 10.939 -47.192 1.00 0.70 H new ATOM 0 HG21 THR A 40 12.837 9.006 -46.571 1.00 0.71 H new ATOM 0 HG22 THR A 40 12.978 8.655 -44.832 1.00 0.71 H new ATOM 0 HG23 THR A 40 11.419 8.431 -45.661 1.00 0.71 H new ATOM 631 N PHE A 41 9.928 12.607 -43.906 1.00 0.54 N ATOM 632 CA PHE A 41 9.585 13.967 -43.533 1.00 0.55 C ATOM 633 C PHE A 41 8.092 14.051 -43.253 1.00 0.48 C ATOM 634 O PHE A 41 7.284 13.544 -44.024 1.00 0.45 O ATOM 635 CB PHE A 41 9.979 14.944 -44.648 1.00 0.57 C ATOM 636 CG PHE A 41 9.728 16.388 -44.308 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.623 17.093 -43.518 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.597 17.039 -44.776 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.396 18.419 -43.203 1.00 0.76 C ATOM 640 CE2 PHE A 41 8.366 18.365 -44.466 1.00 0.70 C ATOM 641 CZ PHE A 41 9.265 19.055 -43.676 1.00 0.75 C ATOM 0 H PHE A 41 9.228 12.147 -44.488 1.00 0.54 H new ATOM 0 HA PHE A 41 10.134 14.243 -42.633 1.00 0.55 H new ATOM 0 HB2 PHE A 41 11.037 14.813 -44.876 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.424 14.692 -45.552 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.508 16.600 -43.144 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.888 16.503 -45.390 1.00 0.62 H new ATOM 0 HE1 PHE A 41 11.102 18.957 -42.588 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.483 18.862 -44.841 1.00 0.70 H new ATOM 0 HZ PHE A 41 9.084 20.091 -43.429 1.00 0.75 H new ATOM 651 N LEU A 42 7.732 14.669 -42.142 1.00 0.50 N ATOM 652 CA LEU A 42 6.332 14.815 -41.772 1.00 0.48 C ATOM 653 C LEU A 42 6.122 16.183 -41.137 1.00 0.54 C ATOM 654 O LEU A 42 6.731 16.495 -40.111 1.00 0.64 O ATOM 655 CB LEU A 42 5.924 13.704 -40.793 1.00 0.53 C ATOM 656 CG LEU A 42 4.472 13.210 -40.896 1.00 0.60 C ATOM 657 CD1 LEU A 42 4.209 12.130 -39.860 1.00 1.03 C ATOM 658 CD2 LEU A 42 3.479 14.351 -40.728 1.00 1.55 C ATOM 0 H LEU A 42 8.389 15.079 -41.478 1.00 0.50 H new ATOM 0 HA LEU A 42 5.710 14.732 -42.663 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.587 12.853 -40.945 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.093 14.063 -39.778 1.00 0.53 H new ATOM 0 HG LEU A 42 4.334 12.792 -41.893 1.00 0.60 H new ATOM 0 HD11 LEU A 42 3.177 11.789 -39.944 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.883 11.291 -40.030 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.377 12.534 -38.862 1.00 1.03 H new ATOM 0 HD21 LEU A 42 2.463 13.964 -40.807 1.00 1.55 H new ATOM 0 HD22 LEU A 42 3.617 14.812 -39.750 1.00 1.55 H new ATOM 0 HD23 LEU A 42 3.645 15.095 -41.507 1.00 1.55 H new ATOM 670 N GLU A 43 5.280 16.997 -41.752 1.00 0.57 N ATOM 671 CA GLU A 43 5.001 18.327 -41.239 1.00 0.69 C ATOM 672 C GLU A 43 3.532 18.448 -40.851 1.00 0.60 C ATOM 673 O GLU A 43 2.639 18.249 -41.680 1.00 0.53 O ATOM 674 CB GLU A 43 5.369 19.393 -42.277 1.00 0.82 C ATOM 675 CG GLU A 43 5.228 20.818 -41.761 1.00 1.00 C ATOM 676 CD GLU A 43 5.726 21.854 -42.748 1.00 1.62 C ATOM 677 OE1 GLU A 43 6.952 22.093 -42.799 1.00 2.23 O ATOM 678 OE2 GLU A 43 4.895 22.457 -43.461 1.00 2.19 O ATOM 0 H GLU A 43 4.778 16.759 -42.607 1.00 0.57 H new ATOM 0 HA GLU A 43 5.610 18.488 -40.350 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.397 19.233 -42.602 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.735 19.268 -43.155 1.00 0.82 H new ATOM 0 HG2 GLU A 43 4.180 21.015 -41.533 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.781 20.917 -40.827 1.00 1.00 H new ATOM 685 N LEU A 44 3.292 18.748 -39.582 1.00 0.67 N ATOM 686 CA LEU A 44 1.938 18.934 -39.080 1.00 0.65 C ATOM 687 C LEU A 44 1.504 20.381 -39.262 1.00 0.64 C ATOM 688 O LEU A 44 2.146 21.301 -38.756 1.00 0.77 O ATOM 689 CB LEU A 44 1.839 18.548 -37.597 1.00 0.82 C ATOM 690 CG LEU A 44 1.698 17.049 -37.300 1.00 0.97 C ATOM 691 CD1 LEU A 44 0.467 16.478 -37.988 1.00 1.27 C ATOM 692 CD2 LEU A 44 2.945 16.285 -37.715 1.00 1.72 C ATOM 0 H LEU A 44 4.021 18.868 -38.879 1.00 0.67 H new ATOM 0 HA LEU A 44 1.277 18.282 -39.651 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.728 18.917 -37.086 1.00 0.82 H new ATOM 0 HB3 LEU A 44 0.984 19.066 -37.163 1.00 0.82 H new ATOM 0 HG LEU A 44 1.577 16.933 -36.223 1.00 0.97 H new ATOM 0 HD11 LEU A 44 0.386 15.414 -37.764 1.00 1.27 H new ATOM 0 HD12 LEU A 44 -0.423 16.994 -37.628 1.00 1.27 H new ATOM 0 HD13 LEU A 44 0.555 16.617 -39.066 1.00 1.27 H new ATOM 0 HD21 LEU A 44 2.814 15.226 -37.492 1.00 1.72 H new ATOM 0 HD22 LEU A 44 3.111 16.413 -38.785 1.00 1.72 H new ATOM 0 HD23 LEU A 44 3.806 16.668 -37.166 1.00 1.72 H new ATOM 704 N VAL A 45 0.423 20.578 -39.994 1.00 0.57 N ATOM 705 CA VAL A 45 -0.099 21.912 -40.239 1.00 0.63 C ATOM 706 C VAL A 45 -1.408 22.117 -39.481 1.00 0.60 C ATOM 707 O VAL A 45 -2.363 21.356 -39.655 1.00 0.56 O ATOM 708 CB VAL A 45 -0.336 22.159 -41.745 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.773 23.595 -41.997 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.915 21.831 -42.548 1.00 0.90 C ATOM 0 H VAL A 45 -0.113 19.829 -40.431 1.00 0.57 H new ATOM 0 HA VAL A 45 0.646 22.625 -39.885 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.137 21.497 -42.074 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.934 23.744 -43.065 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.700 23.793 -41.459 1.00 1.08 H new ATOM 0 HG13 VAL A 45 0.002 24.278 -41.648 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.726 22.012 -43.606 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.738 22.462 -42.213 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.178 20.784 -42.400 1.00 0.90 H new ATOM 720 N ASP A 46 -1.437 23.133 -38.624 1.00 0.76 N ATOM 721 CA ASP A 46 -2.655 23.479 -37.900 1.00 0.83 C ATOM 722 C ASP A 46 -3.689 24.015 -38.878 1.00 0.80 C ATOM 723 O ASP A 46 -3.599 25.156 -39.333 1.00 0.99 O ATOM 724 CB ASP A 46 -2.372 24.522 -36.812 1.00 1.16 C ATOM 725 CG ASP A 46 -3.575 24.781 -35.911 1.00 1.38 C ATOM 726 OD1 ASP A 46 -4.589 25.321 -36.396 1.00 1.57 O ATOM 727 OD2 ASP A 46 -3.498 24.455 -34.707 1.00 1.83 O ATOM 0 H ASP A 46 -0.636 23.728 -38.415 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.038 22.581 -37.415 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -1.534 24.185 -36.202 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.069 25.457 -37.282 1.00 1.16 H new ATOM 732 N LYS A 47 -4.652 23.178 -39.221 1.00 0.81 N ATOM 733 CA LYS A 47 -5.688 23.548 -40.173 1.00 1.03 C ATOM 734 C LYS A 47 -6.847 24.208 -39.429 1.00 1.12 C ATOM 735 O LYS A 47 -8.017 23.912 -39.681 1.00 1.66 O ATOM 736 CB LYS A 47 -6.158 22.299 -40.924 1.00 1.36 C ATOM 737 CG LYS A 47 -6.914 22.595 -42.209 1.00 1.85 C ATOM 738 CD LYS A 47 -7.394 21.313 -42.870 1.00 2.14 C ATOM 739 CE LYS A 47 -8.092 21.591 -44.191 1.00 2.34 C ATOM 740 NZ LYS A 47 -9.218 22.550 -44.034 1.00 2.76 N ATOM 0 H LYS A 47 -4.739 22.231 -38.852 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.294 24.259 -40.899 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -5.291 21.682 -41.159 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -6.798 21.712 -40.266 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -7.767 23.238 -41.993 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -6.269 23.142 -42.896 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -6.545 20.650 -43.039 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -8.077 20.791 -42.200 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -7.372 21.991 -44.905 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -8.467 20.656 -44.607 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -9.790 22.558 -44.902 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -9.811 22.260 -43.231 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -8.840 23.503 -43.859 1.00 2.76 H new ATOM 815 N SER A 54 -10.096 20.328 -37.853 1.00 1.25 N ATOM 816 CA SER A 54 -9.327 19.373 -38.637 1.00 1.00 C ATOM 817 C SER A 54 -7.832 19.658 -38.532 1.00 0.82 C ATOM 818 O SER A 54 -7.423 20.781 -38.238 1.00 0.89 O ATOM 819 CB SER A 54 -9.756 19.437 -40.110 1.00 1.14 C ATOM 820 OG SER A 54 -11.152 19.220 -40.255 1.00 1.71 O ATOM 0 HA SER A 54 -9.521 18.376 -38.241 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.493 20.410 -40.525 1.00 1.14 H new ATOM 0 HB3 SER A 54 -9.209 18.688 -40.682 1.00 1.14 H new ATOM 0 HG SER A 54 -11.624 19.604 -39.487 1.00 1.71 H new ATOM 826 N PHE A 55 -7.028 18.629 -38.760 1.00 0.67 N ATOM 827 CA PHE A 55 -5.580 18.777 -38.827 1.00 0.60 C ATOM 828 C PHE A 55 -5.071 18.216 -40.143 1.00 0.52 C ATOM 829 O PHE A 55 -5.502 17.144 -40.574 1.00 0.50 O ATOM 830 CB PHE A 55 -4.892 18.067 -37.657 1.00 0.67 C ATOM 831 CG PHE A 55 -5.102 18.737 -36.330 1.00 0.81 C ATOM 832 CD1 PHE A 55 -4.274 19.773 -35.928 1.00 0.86 C ATOM 833 CD2 PHE A 55 -6.118 18.328 -35.483 1.00 0.99 C ATOM 834 CE1 PHE A 55 -4.457 20.390 -34.706 1.00 1.03 C ATOM 835 CE2 PHE A 55 -6.307 18.941 -34.260 1.00 1.15 C ATOM 836 CZ PHE A 55 -5.475 19.973 -33.870 1.00 1.15 C ATOM 0 H PHE A 55 -7.357 17.674 -38.903 1.00 0.67 H new ATOM 0 HA PHE A 55 -5.342 19.839 -38.762 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -5.261 17.043 -37.598 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -3.822 18.009 -37.858 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -3.476 20.102 -36.578 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -6.770 17.521 -35.782 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -3.806 21.197 -34.404 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -7.104 18.614 -33.609 1.00 1.15 H new ATOM 0 HZ PHE A 55 -5.620 20.453 -32.913 1.00 1.15 H new ATOM 846 N ASP A 56 -4.165 18.940 -40.781 1.00 0.51 N ATOM 847 CA ASP A 56 -3.638 18.528 -42.074 1.00 0.52 C ATOM 848 C ASP A 56 -2.163 18.173 -41.943 1.00 0.50 C ATOM 849 O ASP A 56 -1.356 18.989 -41.496 1.00 0.55 O ATOM 850 CB ASP A 56 -3.832 19.642 -43.107 1.00 0.58 C ATOM 851 CG ASP A 56 -3.695 19.143 -44.531 1.00 0.64 C ATOM 852 OD1 ASP A 56 -4.525 18.311 -44.950 1.00 1.23 O ATOM 853 OD2 ASP A 56 -2.770 19.591 -45.244 1.00 1.35 O ATOM 0 H ASP A 56 -3.779 19.815 -40.426 1.00 0.51 H new ATOM 0 HA ASP A 56 -4.182 17.647 -42.414 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.818 20.088 -42.975 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -3.100 20.429 -42.929 1.00 0.58 H new ATOM 858 N ALA A 57 -1.814 16.953 -42.308 1.00 0.48 N ATOM 859 CA ALA A 57 -0.450 16.478 -42.140 1.00 0.48 C ATOM 860 C ALA A 57 0.184 16.115 -43.472 1.00 0.44 C ATOM 861 O ALA A 57 -0.328 15.267 -44.203 1.00 0.46 O ATOM 862 CB ALA A 57 -0.424 15.278 -41.208 1.00 0.51 C ATOM 0 H ALA A 57 -2.453 16.274 -42.722 1.00 0.48 H new ATOM 0 HA ALA A 57 0.132 17.289 -41.702 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.603 14.931 -41.090 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.825 15.564 -40.235 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -1.031 14.477 -41.629 1.00 0.51 H new ATOM 868 N VAL A 58 1.301 16.753 -43.779 1.00 0.42 N ATOM 869 CA VAL A 58 2.048 16.437 -44.986 1.00 0.41 C ATOM 870 C VAL A 58 3.014 15.294 -44.703 1.00 0.39 C ATOM 871 O VAL A 58 3.977 15.455 -43.949 1.00 0.41 O ATOM 872 CB VAL A 58 2.834 17.658 -45.509 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.573 17.317 -46.797 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.902 18.842 -45.723 1.00 0.55 C ATOM 0 H VAL A 58 1.711 17.493 -43.209 1.00 0.42 H new ATOM 0 HA VAL A 58 1.333 16.144 -45.755 1.00 0.41 H new ATOM 0 HB VAL A 58 3.574 17.933 -44.757 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.119 18.193 -47.146 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.274 16.503 -46.610 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.855 17.010 -47.558 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.474 19.693 -46.092 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.137 18.576 -46.452 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.427 19.106 -44.778 1.00 0.55 H new ATOM 884 N ILE A 59 2.744 14.140 -45.292 1.00 0.38 N ATOM 885 CA ILE A 59 3.543 12.954 -45.046 1.00 0.40 C ATOM 886 C ILE A 59 4.363 12.592 -46.282 1.00 0.44 C ATOM 887 O ILE A 59 3.822 12.297 -47.350 1.00 0.65 O ATOM 888 CB ILE A 59 2.651 11.764 -44.571 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.474 10.481 -44.339 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.506 11.503 -45.546 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.691 9.626 -45.578 1.00 0.80 C ATOM 0 H ILE A 59 1.974 14.001 -45.946 1.00 0.38 H new ATOM 0 HA ILE A 59 4.243 13.172 -44.239 1.00 0.40 H new ATOM 0 HB ILE A 59 2.222 12.055 -43.612 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.446 10.759 -43.933 1.00 1.18 H new ATOM 0 HG13 ILE A 59 2.973 9.877 -43.582 1.00 1.18 H new ATOM 0 HG21 ILE A 59 0.904 10.668 -45.186 1.00 0.77 H new ATOM 0 HG22 ILE A 59 0.882 12.394 -45.622 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.912 11.260 -46.528 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.280 8.747 -45.315 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.726 9.311 -45.976 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.223 10.206 -46.332 1.00 0.80 H new ATOM 903 N VAL A 60 5.676 12.657 -46.130 1.00 0.39 N ATOM 904 CA VAL A 60 6.603 12.280 -47.185 1.00 0.42 C ATOM 905 C VAL A 60 7.279 10.964 -46.818 1.00 0.40 C ATOM 906 O VAL A 60 8.025 10.905 -45.842 1.00 0.44 O ATOM 907 CB VAL A 60 7.689 13.361 -47.398 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.586 13.007 -48.574 1.00 0.58 C ATOM 909 CG2 VAL A 60 7.062 14.732 -47.594 1.00 0.58 C ATOM 0 H VAL A 60 6.129 12.972 -45.272 1.00 0.39 H new ATOM 0 HA VAL A 60 6.036 12.174 -48.110 1.00 0.42 H new ATOM 0 HB VAL A 60 8.305 13.396 -46.500 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.341 13.783 -48.702 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.076 12.052 -48.383 1.00 0.58 H new ATOM 0 HG13 VAL A 60 7.985 12.932 -49.480 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.847 15.473 -47.742 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.412 14.713 -48.469 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.477 14.994 -46.712 1.00 0.58 H new ATOM 919 N SER A 61 7.016 9.909 -47.575 1.00 0.39 N ATOM 920 CA SER A 61 7.582 8.606 -47.242 1.00 0.42 C ATOM 921 C SER A 61 7.912 7.786 -48.483 1.00 0.42 C ATOM 922 O SER A 61 7.239 7.884 -49.509 1.00 0.43 O ATOM 923 CB SER A 61 6.618 7.815 -46.356 1.00 0.45 C ATOM 924 OG SER A 61 5.429 7.496 -47.057 1.00 0.84 O ATOM 0 H SER A 61 6.427 9.925 -48.408 1.00 0.39 H new ATOM 0 HA SER A 61 8.511 8.794 -46.705 1.00 0.42 H new ATOM 0 HB2 SER A 61 7.100 6.899 -46.015 1.00 0.45 H new ATOM 0 HB3 SER A 61 6.375 8.397 -45.467 1.00 0.45 H new ATOM 0 HG SER A 61 4.829 6.989 -46.470 1.00 0.84 H new ATOM 930 N ASN A 62 8.976 6.997 -48.380 1.00 0.51 N ATOM 931 CA ASN A 62 9.333 6.029 -49.407 1.00 0.57 C ATOM 932 C ASN A 62 8.292 4.912 -49.484 1.00 0.56 C ATOM 933 O ASN A 62 8.152 4.246 -50.504 1.00 0.59 O ATOM 934 CB ASN A 62 10.700 5.418 -49.102 1.00 0.75 C ATOM 935 CG ASN A 62 11.621 5.406 -50.301 1.00 0.86 C ATOM 936 OD1 ASN A 62 11.584 6.467 -51.083 1.00 1.67 O flip ATOM 937 ND2 ASN A 62 12.389 4.465 -50.497 1.00 0.76 N flip ATOM 0 H ASN A 62 9.613 7.011 -47.584 1.00 0.51 H new ATOM 0 HA ASN A 62 9.368 6.550 -50.364 1.00 0.57 H new ATOM 0 HB2 ASN A 62 11.171 5.979 -48.294 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.564 4.397 -48.744 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.384 3.663 -49.867 1.00 0.76 H new ATOM 0 HD22 ASN A 62 13.030 4.487 -51.290 1.00 0.76 H new ATOM 944 N ASN A 63 7.560 4.719 -48.392 1.00 0.57 N ATOM 945 CA ASN A 63 6.638 3.593 -48.268 1.00 0.66 C ATOM 946 C ASN A 63 5.518 3.643 -49.309 1.00 0.67 C ATOM 947 O ASN A 63 5.046 2.601 -49.769 1.00 0.86 O ATOM 948 CB ASN A 63 6.049 3.542 -46.852 1.00 0.73 C ATOM 949 CG ASN A 63 5.077 2.390 -46.664 1.00 1.03 C ATOM 950 OD1 ASN A 63 3.788 2.677 -46.764 1.00 1.81 O flip ATOM 951 ND2 ASN A 63 5.480 1.256 -46.414 1.00 1.00 N flip ATOM 0 H ASN A 63 7.587 5.330 -47.576 1.00 0.57 H new ATOM 0 HA ASN A 63 7.210 2.684 -48.454 1.00 0.66 H new ATOM 0 HB2 ASN A 63 6.859 3.450 -46.129 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.538 4.481 -46.641 1.00 0.73 H new ATOM 0 HD21 ASN A 63 6.481 1.074 -46.345 1.00 1.00 H new ATOM 0 HD22 ASN A 63 4.813 0.497 -46.276 1.00 1.00 H new ATOM 958 N PHE A 64 5.104 4.843 -49.694 1.00 0.60 N ATOM 959 CA PHE A 64 4.019 4.989 -50.660 1.00 0.67 C ATOM 960 C PHE A 64 4.559 5.236 -52.065 1.00 0.60 C ATOM 961 O PHE A 64 3.789 5.377 -53.014 1.00 0.65 O ATOM 962 CB PHE A 64 3.094 6.141 -50.261 1.00 0.80 C ATOM 963 CG PHE A 64 2.422 5.954 -48.930 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.718 4.796 -48.651 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.500 6.936 -47.958 1.00 2.11 C ATOM 966 CE1 PHE A 64 1.099 4.622 -47.428 1.00 2.66 C ATOM 967 CE2 PHE A 64 1.885 6.769 -46.733 1.00 2.95 C ATOM 968 CZ PHE A 64 1.185 5.610 -46.467 1.00 3.19 C ATOM 0 H PHE A 64 5.497 5.722 -49.357 1.00 0.60 H new ATOM 0 HA PHE A 64 3.455 4.056 -50.661 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.671 7.065 -50.238 1.00 0.80 H new ATOM 0 HB3 PHE A 64 2.329 6.262 -51.028 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.652 4.019 -49.398 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.049 7.844 -48.160 1.00 2.11 H new ATOM 0 HE1 PHE A 64 0.549 3.715 -47.224 1.00 2.66 H new ATOM 0 HE2 PHE A 64 1.952 7.544 -45.984 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.705 5.476 -45.509 1.00 3.19 H new ATOM 978 N GLU A 65 5.880 5.269 -52.196 1.00 0.58 N ATOM 979 CA GLU A 65 6.513 5.633 -53.463 1.00 0.61 C ATOM 980 C GLU A 65 6.338 4.538 -54.520 1.00 0.65 C ATOM 981 O GLU A 65 6.462 4.800 -55.717 1.00 0.75 O ATOM 982 CB GLU A 65 8.004 5.955 -53.235 1.00 0.71 C ATOM 983 CG GLU A 65 8.955 4.771 -53.371 1.00 0.87 C ATOM 984 CD GLU A 65 9.598 4.697 -54.742 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.396 5.603 -55.072 1.00 2.14 O ATOM 986 OE2 GLU A 65 9.322 3.738 -55.489 1.00 2.11 O ATOM 0 H GLU A 65 6.534 5.049 -51.445 1.00 0.58 H new ATOM 0 HA GLU A 65 6.017 6.525 -53.846 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.305 6.725 -53.945 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.119 6.379 -52.237 1.00 0.71 H new ATOM 0 HG2 GLU A 65 9.734 4.845 -52.612 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.410 3.847 -53.179 1.00 0.87 H new ATOM 993 N ASP A 66 6.023 3.320 -54.079 1.00 0.69 N ATOM 994 CA ASP A 66 5.919 2.184 -54.996 1.00 0.84 C ATOM 995 C ASP A 66 4.529 2.129 -55.642 1.00 0.80 C ATOM 996 O ASP A 66 4.289 1.345 -56.564 1.00 0.93 O ATOM 997 CB ASP A 66 6.232 0.874 -54.265 1.00 1.00 C ATOM 998 CG ASP A 66 6.628 -0.243 -55.216 1.00 1.40 C ATOM 999 OD1 ASP A 66 7.710 -0.150 -55.836 1.00 1.94 O ATOM 1000 OD2 ASP A 66 5.875 -1.225 -55.342 1.00 2.03 O ATOM 0 H ASP A 66 5.837 3.095 -53.102 1.00 0.69 H new ATOM 0 HA ASP A 66 6.653 2.317 -55.790 1.00 0.84 H new ATOM 0 HB2 ASP A 66 7.039 1.043 -53.552 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.359 0.565 -53.690 1.00 1.00 H new ATOM 1005 N LYS A 67 3.618 2.962 -55.129 1.00 0.78 N ATOM 1006 CA LYS A 67 2.307 3.206 -55.749 1.00 0.88 C ATOM 1007 C LYS A 67 1.373 1.987 -55.672 1.00 0.78 C ATOM 1008 O LYS A 67 0.392 1.904 -56.414 1.00 0.86 O ATOM 1009 CB LYS A 67 2.490 3.629 -57.214 1.00 1.17 C ATOM 1010 CG LYS A 67 1.314 4.405 -57.793 1.00 1.67 C ATOM 1011 CD LYS A 67 1.413 4.515 -59.308 1.00 2.00 C ATOM 1012 CE LYS A 67 1.069 3.196 -59.981 1.00 2.46 C ATOM 1013 NZ LYS A 67 1.407 3.200 -61.430 1.00 3.31 N ATOM 0 H LYS A 67 3.768 3.489 -54.269 1.00 0.78 H new ATOM 0 HA LYS A 67 1.834 4.008 -55.183 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.389 4.241 -57.294 1.00 1.17 H new ATOM 0 HB3 LYS A 67 2.656 2.738 -57.819 1.00 1.17 H new ATOM 0 HG2 LYS A 67 0.381 3.910 -57.523 1.00 1.67 H new ATOM 0 HG3 LYS A 67 1.284 5.403 -57.355 1.00 1.67 H new ATOM 0 HD2 LYS A 67 0.738 5.294 -59.663 1.00 2.00 H new ATOM 0 HD3 LYS A 67 2.423 4.816 -59.588 1.00 2.00 H new ATOM 0 HE2 LYS A 67 1.606 2.387 -59.486 1.00 2.46 H new ATOM 0 HE3 LYS A 67 0.005 2.994 -59.858 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 1.156 2.281 -61.848 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 0.875 3.955 -61.908 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 2.427 3.366 -61.548 1.00 3.31 H new ATOM 1027 N LYS A 68 1.645 1.056 -54.767 1.00 0.83 N ATOM 1028 CA LYS A 68 0.781 -0.117 -54.619 1.00 0.90 C ATOM 1029 C LYS A 68 -0.507 0.282 -53.905 1.00 0.82 C ATOM 1030 O LYS A 68 -0.492 0.586 -52.713 1.00 0.87 O ATOM 1031 CB LYS A 68 1.494 -1.229 -53.846 1.00 1.16 C ATOM 1032 CG LYS A 68 2.896 -1.526 -54.354 1.00 1.35 C ATOM 1033 CD LYS A 68 2.915 -1.919 -55.827 1.00 1.37 C ATOM 1034 CE LYS A 68 2.248 -3.260 -56.068 1.00 1.55 C ATOM 1035 NZ LYS A 68 2.454 -3.739 -57.461 1.00 1.99 N ATOM 0 H LYS A 68 2.443 1.084 -54.132 1.00 0.83 H new ATOM 0 HA LYS A 68 0.540 -0.499 -55.611 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.550 -0.949 -52.794 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.897 -2.139 -53.902 1.00 1.16 H new ATOM 0 HG2 LYS A 68 3.525 -0.648 -54.208 1.00 1.35 H new ATOM 0 HG3 LYS A 68 3.330 -2.331 -53.761 1.00 1.35 H new ATOM 0 HD2 LYS A 68 2.409 -1.152 -56.413 1.00 1.37 H new ATOM 0 HD3 LYS A 68 3.946 -1.959 -56.178 1.00 1.37 H new ATOM 0 HE2 LYS A 68 2.647 -3.995 -55.369 1.00 1.55 H new ATOM 0 HE3 LYS A 68 1.180 -3.176 -55.867 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 1.983 -4.658 -57.585 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 2.051 -3.050 -58.128 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 3.472 -3.844 -57.645 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.619 0.264 -54.635 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.864 0.863 -54.159 1.00 0.91 C ATOM 1051 C LEU A 69 -3.439 0.124 -52.952 1.00 0.85 C ATOM 1052 O LEU A 69 -3.794 0.751 -51.956 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.897 0.955 -55.297 1.00 1.16 C ATOM 1054 CG LEU A 69 -4.363 -0.371 -55.912 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.666 -0.838 -55.278 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -4.526 -0.225 -57.413 1.00 2.33 C ATOM 0 H LEU A 69 -1.684 -0.160 -55.561 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.627 1.874 -53.826 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -4.773 1.482 -54.920 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.474 1.569 -56.092 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.602 -1.126 -55.713 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -5.974 -1.780 -55.732 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -5.519 -0.982 -54.208 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -6.439 -0.087 -55.440 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -4.857 -1.173 -57.837 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -5.267 0.546 -57.625 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -3.571 0.057 -57.857 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.521 -1.196 -53.031 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.093 -1.978 -51.941 1.00 0.91 C ATOM 1070 C LEU A 70 -3.198 -1.923 -50.709 1.00 0.79 C ATOM 1071 O LEU A 70 -3.679 -1.958 -49.577 1.00 0.80 O ATOM 1072 CB LEU A 70 -4.414 -3.437 -52.371 1.00 1.06 C ATOM 1073 CG LEU A 70 -3.248 -4.416 -52.658 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -2.213 -3.817 -53.593 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -2.600 -4.914 -51.372 1.00 1.07 C ATOM 0 H LEU A 70 -3.203 -1.745 -53.829 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.048 -1.526 -51.675 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.030 -3.881 -51.589 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.028 -3.386 -53.270 1.00 1.06 H new ATOM 0 HG LEU A 70 -3.684 -5.276 -53.166 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -1.416 -4.540 -53.764 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -2.684 -3.564 -54.543 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -1.795 -2.916 -53.144 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -1.787 -5.598 -51.615 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -2.206 -4.066 -50.811 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -3.343 -5.434 -50.768 1.00 1.07 H new ATOM 1087 N ASP A 71 -1.897 -1.797 -50.940 1.00 0.72 N ATOM 1088 CA ASP A 71 -0.924 -1.826 -49.861 1.00 0.70 C ATOM 1089 C ASP A 71 -0.980 -0.529 -49.062 1.00 0.63 C ATOM 1090 O ASP A 71 -1.052 -0.548 -47.835 1.00 0.63 O ATOM 1091 CB ASP A 71 0.477 -2.053 -50.424 1.00 0.77 C ATOM 1092 CG ASP A 71 1.458 -2.506 -49.365 1.00 1.25 C ATOM 1093 OD1 ASP A 71 1.248 -3.596 -48.787 1.00 1.58 O ATOM 1094 OD2 ASP A 71 2.458 -1.798 -49.127 1.00 2.08 O ATOM 0 H ASP A 71 -1.493 -1.674 -51.868 1.00 0.72 H new ATOM 0 HA ASP A 71 -1.165 -2.651 -49.190 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.431 -2.801 -51.216 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.837 -1.130 -50.878 1.00 0.77 H new ATOM 1099 N ARG A 72 -0.985 0.600 -49.766 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.101 1.898 -49.110 1.00 0.74 C ATOM 1101 C ARG A 72 -2.473 2.057 -48.462 1.00 0.67 C ATOM 1102 O ARG A 72 -2.602 2.675 -47.406 1.00 0.68 O ATOM 1103 CB ARG A 72 -0.833 3.048 -50.093 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.633 2.975 -51.384 1.00 1.31 C ATOM 1105 CD ARG A 72 -1.335 4.156 -52.298 1.00 1.53 C ATOM 1106 NE ARG A 72 -1.652 3.865 -53.699 1.00 1.92 N ATOM 1107 CZ ARG A 72 -2.623 4.464 -54.392 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -3.423 5.347 -53.804 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -2.804 4.170 -55.674 1.00 2.93 N ATOM 0 H ARG A 72 -0.911 0.642 -50.782 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.342 1.941 -48.329 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -1.055 3.993 -49.596 1.00 0.92 H new ATOM 0 HB3 ARG A 72 0.229 3.059 -50.339 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -1.402 2.045 -51.904 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -2.698 2.954 -51.152 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -1.910 5.022 -51.969 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -0.281 4.422 -52.213 1.00 1.53 H new ATOM 0 HE ARG A 72 -1.093 3.158 -54.176 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -3.297 5.571 -52.817 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -4.163 5.801 -54.340 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -2.201 3.486 -56.130 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -3.546 4.628 -56.202 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.494 1.482 -49.088 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.851 1.557 -48.561 1.00 0.71 C ATOM 1125 C HIS A 73 -4.965 0.784 -47.248 1.00 0.62 C ATOM 1126 O HIS A 73 -5.460 1.315 -46.253 1.00 0.62 O ATOM 1127 CB HIS A 73 -5.861 1.020 -49.585 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.294 1.133 -49.147 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.064 2.255 -49.368 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.093 0.255 -48.496 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.272 2.062 -48.871 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.315 0.855 -48.337 1.00 1.15 N ATOM 0 H HIS A 73 -3.408 0.960 -49.960 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.080 2.605 -48.366 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.735 1.561 -50.523 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.635 -0.027 -49.788 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -7.818 -0.735 -48.163 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.086 2.771 -48.897 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.126 0.437 -47.880 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.496 -0.463 -47.247 1.00 0.60 N ATOM 1142 CA ARG A 74 -4.626 -1.324 -46.075 1.00 0.59 C ATOM 1143 C ARG A 74 -3.805 -0.783 -44.904 1.00 0.51 C ATOM 1144 O ARG A 74 -4.241 -0.848 -43.757 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.217 -2.768 -46.406 1.00 0.68 C ATOM 1146 CG ARG A 74 -2.726 -2.967 -46.634 1.00 0.74 C ATOM 1147 CD ARG A 74 -2.415 -4.368 -47.136 1.00 0.86 C ATOM 1148 NE ARG A 74 -2.944 -5.408 -46.252 1.00 0.88 N ATOM 1149 CZ ARG A 74 -2.854 -6.716 -46.504 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -2.183 -7.146 -47.565 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -3.415 -7.593 -45.686 1.00 1.32 N ATOM 0 H ARG A 74 -4.025 -0.897 -48.041 1.00 0.60 H new ATOM 0 HA ARG A 74 -5.675 -1.329 -45.778 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -4.537 -3.418 -45.592 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -4.754 -3.088 -47.299 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -2.367 -2.234 -47.357 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.188 -2.786 -45.703 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -2.835 -4.495 -48.134 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -1.335 -4.487 -47.227 1.00 0.86 H new ATOM 0 HE ARG A 74 -3.409 -5.116 -45.392 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -1.734 -6.477 -48.190 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -2.116 -8.146 -47.755 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -3.918 -7.270 -44.860 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -3.344 -8.591 -45.882 1.00 1.32 H new ATOM 1165 N LEU A 75 -2.633 -0.232 -45.198 1.00 0.47 N ATOM 1166 CA LEU A 75 -1.785 0.350 -44.164 1.00 0.46 C ATOM 1167 C LEU A 75 -2.464 1.547 -43.516 1.00 0.42 C ATOM 1168 O LEU A 75 -2.692 1.565 -42.305 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.437 0.778 -44.751 1.00 0.51 C ATOM 1170 CG LEU A 75 0.528 -0.363 -45.075 1.00 0.79 C ATOM 1171 CD1 LEU A 75 1.739 0.164 -45.825 1.00 1.48 C ATOM 1172 CD2 LEU A 75 0.960 -1.063 -43.797 1.00 1.36 C ATOM 0 H LEU A 75 -2.249 -0.176 -46.141 1.00 0.47 H new ATOM 0 HA LEU A 75 -1.617 -0.412 -43.403 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.621 1.346 -45.663 1.00 0.51 H new ATOM 0 HB3 LEU A 75 0.049 1.454 -44.047 1.00 0.51 H new ATOM 0 HG LEU A 75 0.015 -1.084 -45.712 1.00 0.79 H new ATOM 0 HD11 LEU A 75 2.416 -0.661 -46.048 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.416 0.630 -46.756 1.00 1.48 H new ATOM 0 HD13 LEU A 75 2.255 0.901 -45.210 1.00 1.48 H new ATOM 0 HD21 LEU A 75 1.647 -1.874 -44.040 1.00 1.36 H new ATOM 0 HD22 LEU A 75 1.459 -0.349 -43.142 1.00 1.36 H new ATOM 0 HD23 LEU A 75 0.084 -1.469 -43.291 1.00 1.36 H new ATOM 1184 N VAL A 76 -2.808 2.535 -44.333 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.397 3.770 -43.834 1.00 0.50 C ATOM 1186 C VAL A 76 -4.673 3.502 -43.042 1.00 0.48 C ATOM 1187 O VAL A 76 -4.817 3.966 -41.919 1.00 0.50 O ATOM 1188 CB VAL A 76 -3.695 4.759 -44.985 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -4.501 5.955 -44.491 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.400 5.230 -45.630 1.00 0.82 C ATOM 0 H VAL A 76 -2.689 2.504 -45.346 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.663 4.221 -43.167 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.291 4.233 -45.731 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -4.695 6.632 -45.323 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.448 5.609 -44.077 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -3.937 6.480 -43.720 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -2.628 5.925 -46.438 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -1.783 5.730 -44.884 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -1.860 4.372 -46.031 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.584 2.726 -43.612 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.886 2.510 -42.985 1.00 0.53 C ATOM 1202 C ASN A 77 -6.755 1.750 -41.665 1.00 0.49 C ATOM 1203 O ASN A 77 -7.393 2.109 -40.680 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.834 1.758 -43.929 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.371 2.620 -45.062 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -7.593 3.599 -45.497 1.00 1.14 O flip ATOM 1207 ND2 ASN A 77 -9.481 2.402 -45.547 1.00 0.92 N flip ATOM 0 H ASN A 77 -5.451 2.239 -44.498 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.307 3.493 -42.773 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.309 0.902 -44.352 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.672 1.366 -43.353 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -10.054 1.639 -45.187 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -9.828 2.985 -46.309 1.00 0.92 H new ATOM 1214 N THR A 78 -5.918 0.718 -41.638 1.00 0.45 N ATOM 1215 CA THR A 78 -5.778 -0.109 -40.443 1.00 0.50 C ATOM 1216 C THR A 78 -5.232 0.691 -39.257 1.00 0.46 C ATOM 1217 O THR A 78 -5.843 0.720 -38.187 1.00 0.50 O ATOM 1218 CB THR A 78 -4.871 -1.331 -40.704 1.00 0.57 C ATOM 1219 OG1 THR A 78 -5.400 -2.104 -41.790 1.00 0.62 O ATOM 1220 CG2 THR A 78 -4.758 -2.208 -39.464 1.00 0.69 C ATOM 0 H THR A 78 -5.331 0.435 -42.422 1.00 0.45 H new ATOM 0 HA THR A 78 -6.779 -0.460 -40.192 1.00 0.50 H new ATOM 0 HB THR A 78 -3.876 -0.966 -40.959 1.00 0.57 H new ATOM 0 HG1 THR A 78 -5.244 -1.631 -42.634 1.00 0.62 H new ATOM 0 HG21 THR A 78 -4.113 -3.060 -39.679 1.00 0.69 H new ATOM 0 HG22 THR A 78 -4.332 -1.628 -38.646 1.00 0.69 H new ATOM 0 HG23 THR A 78 -5.748 -2.565 -39.179 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.095 1.354 -39.444 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.470 2.091 -38.351 1.00 0.45 C ATOM 1230 C ILE A 79 -4.189 3.411 -38.094 1.00 0.45 C ATOM 1231 O ILE A 79 -4.587 3.704 -36.964 1.00 0.50 O ATOM 1232 CB ILE A 79 -1.964 2.378 -38.602 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.152 1.080 -38.645 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.403 3.304 -37.530 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -1.158 0.397 -39.993 1.00 0.77 C ATOM 0 H ILE A 79 -3.593 1.396 -40.331 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.552 1.448 -37.475 1.00 0.45 H new ATOM 0 HB ILE A 79 -1.882 2.870 -39.571 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -0.122 1.298 -38.364 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.547 0.391 -37.898 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.347 3.491 -37.727 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -1.947 4.248 -37.544 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.513 2.836 -36.552 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.562 -0.514 -39.942 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -2.182 0.145 -40.269 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.735 1.066 -40.742 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.387 4.189 -39.151 1.00 0.45 N ATOM 1248 CA LEU A 80 -4.888 5.546 -39.004 1.00 0.52 C ATOM 1249 C LEU A 80 -6.360 5.600 -38.613 1.00 0.56 C ATOM 1250 O LEU A 80 -6.818 6.639 -38.184 1.00 0.63 O ATOM 1251 CB LEU A 80 -4.642 6.375 -40.269 1.00 0.56 C ATOM 1252 CG LEU A 80 -3.272 7.057 -40.342 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.011 7.595 -41.738 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -3.191 8.180 -39.324 1.00 0.71 C ATOM 0 H LEU A 80 -4.209 3.904 -40.114 1.00 0.45 H new ATOM 0 HA LEU A 80 -4.322 5.984 -38.182 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -4.754 5.726 -41.138 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -5.416 7.140 -40.340 1.00 0.56 H new ATOM 0 HG LEU A 80 -2.507 6.315 -40.112 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.033 8.075 -41.766 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -3.033 6.774 -42.454 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.780 8.323 -41.997 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -2.213 8.657 -39.385 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -3.967 8.916 -39.532 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -3.334 7.774 -38.323 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.105 4.506 -38.741 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.495 4.513 -38.279 1.00 0.68 C ATOM 1268 C LYS A 81 -8.537 4.670 -36.763 1.00 0.68 C ATOM 1269 O LYS A 81 -9.171 5.584 -36.233 1.00 0.72 O ATOM 1270 CB LYS A 81 -9.230 3.233 -38.661 1.00 0.77 C ATOM 1271 CG LYS A 81 -10.724 3.323 -38.417 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.344 1.959 -38.206 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.858 2.050 -38.146 1.00 1.56 C ATOM 1274 NZ LYS A 81 -13.332 2.971 -37.078 1.00 1.93 N ATOM 0 H LYS A 81 -6.785 3.627 -39.147 1.00 0.57 H new ATOM 0 HA LYS A 81 -8.993 5.353 -38.764 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -9.050 3.016 -39.714 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -8.822 2.400 -38.089 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -10.912 3.947 -37.543 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -11.202 3.812 -39.266 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -11.049 1.293 -39.016 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -10.966 1.523 -37.281 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -13.237 2.391 -39.110 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -13.272 1.056 -37.974 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -14.367 2.908 -37.000 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -12.899 2.703 -36.171 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.062 3.947 -37.316 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.855 3.760 -36.079 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.717 3.807 -34.623 1.00 0.73 C ATOM 1290 C GLU A 82 -7.067 5.127 -34.215 1.00 0.67 C ATOM 1291 O GLU A 82 -7.363 5.693 -33.164 1.00 0.68 O ATOM 1292 CB GLU A 82 -6.873 2.607 -34.165 1.00 0.90 C ATOM 1293 CG GLU A 82 -6.826 2.375 -32.660 1.00 1.53 C ATOM 1294 CD GLU A 82 -5.856 3.288 -31.934 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -4.778 3.595 -32.492 1.00 2.91 O ATOM 1296 OE2 GLU A 82 -6.161 3.692 -30.794 1.00 2.75 O ATOM 0 H GLU A 82 -7.381 2.968 -36.514 1.00 0.69 H new ATOM 0 HA GLU A 82 -8.695 3.750 -34.146 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -7.263 1.708 -34.642 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.854 2.743 -34.526 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.825 2.518 -32.247 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -6.548 1.338 -32.469 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.198 5.609 -35.081 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.527 6.884 -34.902 1.00 0.64 C ATOM 1305 C GLU A 83 -6.534 8.031 -34.834 1.00 0.55 C ATOM 1306 O GLU A 83 -6.548 8.821 -33.886 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.620 7.102 -36.090 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.580 8.148 -35.864 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.507 7.645 -34.928 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -1.557 6.988 -35.400 1.00 1.66 O ATOM 1311 OE2 GLU A 83 -2.650 7.844 -33.707 1.00 1.46 O ATOM 0 H GLU A 83 -5.934 5.123 -35.938 1.00 0.64 H new ATOM 0 HA GLU A 83 -4.965 6.866 -33.968 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.129 6.161 -36.339 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.225 7.384 -36.952 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.133 8.434 -36.816 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.042 9.043 -35.447 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.375 8.081 -35.861 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.440 9.086 -35.989 1.00 0.48 C ATOM 1320 C LEU A 84 -9.286 9.186 -34.728 1.00 0.52 C ATOM 1321 O LEU A 84 -9.825 10.244 -34.442 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.396 8.770 -37.153 1.00 0.50 C ATOM 1323 CG LEU A 84 -8.764 8.537 -38.524 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -9.843 8.347 -39.576 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -7.832 9.673 -38.911 1.00 0.51 C ATOM 0 H LEU A 84 -7.342 7.422 -36.639 1.00 0.49 H new ATOM 0 HA LEU A 84 -7.922 10.028 -36.171 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -9.970 7.882 -36.889 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.105 9.593 -37.242 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.165 7.628 -38.466 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.378 8.182 -40.548 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.457 7.485 -39.316 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.469 9.238 -39.620 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.401 9.472 -39.892 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -8.392 10.608 -38.945 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.033 9.755 -38.174 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.435 8.083 -33.997 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.269 8.064 -32.791 1.00 0.67 C ATOM 1339 C GLN A 85 -9.897 9.202 -31.823 1.00 0.70 C ATOM 1340 O GLN A 85 -10.727 9.640 -31.022 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.146 6.726 -32.053 1.00 0.75 C ATOM 1342 CG GLN A 85 -10.456 5.494 -32.895 1.00 0.80 C ATOM 1343 CD GLN A 85 -11.732 5.617 -33.704 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -12.824 5.355 -33.204 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.594 5.950 -34.979 1.00 0.72 N ATOM 0 H GLN A 85 -8.991 7.191 -34.216 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.298 8.203 -33.123 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.132 6.635 -31.663 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -10.817 6.739 -31.194 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.623 5.308 -33.573 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -10.533 4.626 -32.240 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.669 6.160 -35.354 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.413 5.996 -35.585 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.656 9.680 -31.906 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.175 10.742 -31.019 1.00 0.71 C ATOM 1356 C ASN A 86 -8.340 12.120 -31.658 1.00 0.67 C ATOM 1357 O ASN A 86 -8.110 13.145 -31.016 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.697 10.535 -30.675 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.411 9.191 -30.039 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.481 9.037 -28.819 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.065 8.212 -30.860 1.00 0.87 N ATOM 0 H ASN A 86 -7.964 9.349 -32.578 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.776 10.695 -30.111 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.103 10.633 -31.584 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.375 11.326 -29.997 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -5.844 7.288 -30.488 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.019 8.381 -31.865 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.741 12.145 -32.919 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.833 13.389 -33.673 1.00 0.62 C ATOM 1370 C ILE A 87 -10.266 13.605 -34.144 1.00 0.67 C ATOM 1371 O ILE A 87 -11.004 12.646 -34.345 1.00 0.77 O ATOM 1372 CB ILE A 87 -7.901 13.370 -34.909 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.616 12.592 -34.600 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.573 14.793 -35.347 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.619 12.562 -35.737 1.00 0.59 C ATOM 0 H ILE A 87 -9.010 11.314 -33.446 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.525 14.199 -33.012 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.418 12.867 -35.726 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.139 13.034 -33.725 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -6.880 11.568 -34.336 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -6.917 14.764 -36.217 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.494 15.316 -35.604 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.073 15.318 -34.533 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.740 11.992 -35.435 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.075 12.092 -36.608 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.323 13.580 -35.988 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.674 14.855 -34.306 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.002 15.131 -34.839 1.00 0.80 C ATOM 1389 C HIS A 88 -12.016 14.877 -36.343 1.00 0.76 C ATOM 1390 O HIS A 88 -12.931 14.248 -36.867 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.438 16.567 -34.535 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.893 16.814 -34.811 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -14.849 16.847 -33.820 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.555 17.021 -35.974 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.034 17.059 -34.363 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.887 17.168 -35.671 1.00 1.85 N ATOM 0 H HIS A 88 -10.118 15.680 -34.082 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.712 14.461 -34.354 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.231 16.789 -33.488 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.840 17.256 -35.132 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -14.116 17.063 -36.960 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -16.968 17.131 -33.826 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.636 17.333 -36.343 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.995 15.376 -37.027 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.847 15.161 -38.456 1.00 0.68 C ATOM 1407 C ALA A 89 -9.385 15.292 -38.858 1.00 0.62 C ATOM 1408 O ALA A 89 -8.776 16.348 -38.684 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.709 16.139 -39.239 1.00 0.78 C ATOM 0 H ALA A 89 -10.253 15.937 -36.609 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.183 14.151 -38.692 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.583 15.961 -40.307 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.756 15.999 -38.969 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.407 17.159 -39.004 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.821 14.209 -39.358 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.429 14.191 -39.777 1.00 0.47 C ATOM 1417 C PHE A 90 -7.322 13.946 -41.277 1.00 0.48 C ATOM 1418 O PHE A 90 -7.821 12.942 -41.786 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.682 13.101 -39.003 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.271 12.856 -39.464 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.246 13.715 -39.104 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.974 11.754 -40.248 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -2.949 13.476 -39.520 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.682 11.512 -40.667 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.668 12.372 -40.303 1.00 0.49 C ATOM 0 H PHE A 90 -9.309 13.322 -39.485 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.979 15.160 -39.562 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.663 13.373 -37.948 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.242 12.169 -39.082 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.462 14.579 -38.493 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.764 11.075 -40.535 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.156 14.151 -39.233 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.465 10.649 -41.280 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.656 12.184 -40.629 1.00 0.49 H new ATOM 1435 N SER A 91 -6.685 14.869 -41.978 1.00 0.44 N ATOM 1436 CA SER A 91 -6.457 14.715 -43.402 1.00 0.48 C ATOM 1437 C SER A 91 -4.963 14.609 -43.689 1.00 0.45 C ATOM 1438 O SER A 91 -4.168 15.426 -43.218 1.00 0.52 O ATOM 1439 CB SER A 91 -7.080 15.882 -44.169 1.00 0.56 C ATOM 1440 OG SER A 91 -6.749 17.128 -43.575 1.00 1.27 O ATOM 0 H SER A 91 -6.317 15.734 -41.582 1.00 0.44 H new ATOM 0 HA SER A 91 -6.935 13.795 -43.738 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.734 15.866 -45.202 1.00 0.56 H new ATOM 0 HB3 SER A 91 -8.163 15.766 -44.194 1.00 0.56 H new ATOM 0 HG SER A 91 -6.009 17.539 -44.069 1.00 1.27 H new ATOM 1446 N MET A 92 -4.584 13.592 -44.446 1.00 0.48 N ATOM 1447 CA MET A 92 -3.184 13.360 -44.756 1.00 0.48 C ATOM 1448 C MET A 92 -2.891 13.715 -46.207 1.00 0.53 C ATOM 1449 O MET A 92 -3.695 13.451 -47.103 1.00 0.62 O ATOM 1450 CB MET A 92 -2.795 11.897 -44.475 1.00 0.52 C ATOM 1451 CG MET A 92 -3.409 10.878 -45.431 1.00 0.61 C ATOM 1452 SD MET A 92 -5.204 10.736 -45.277 1.00 0.64 S ATOM 1453 CE MET A 92 -5.365 10.141 -43.595 1.00 0.64 C ATOM 0 H MET A 92 -5.227 12.915 -44.857 1.00 0.48 H new ATOM 0 HA MET A 92 -2.585 14.004 -44.112 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.710 11.809 -44.520 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.093 11.645 -43.457 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.161 11.157 -46.455 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.958 9.903 -45.248 1.00 0.61 H new ATOM 0 HE1 MET A 92 -5.975 9.238 -43.585 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.377 9.916 -43.192 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.841 10.907 -42.982 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.749 14.339 -46.424 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.295 14.672 -47.762 1.00 0.59 C ATOM 1465 C LYS A 93 -0.130 13.770 -48.130 1.00 0.49 C ATOM 1466 O LYS A 93 0.955 13.884 -47.559 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.874 16.143 -47.831 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.989 17.111 -47.467 1.00 1.14 C ATOM 1469 CD LYS A 93 -3.143 17.030 -48.453 1.00 1.44 C ATOM 1470 CE LYS A 93 -4.319 17.892 -48.015 1.00 1.93 C ATOM 1471 NZ LYS A 93 -3.920 19.303 -47.768 1.00 2.23 N ATOM 0 H LYS A 93 -1.112 14.629 -45.682 1.00 0.52 H new ATOM 0 HA LYS A 93 -2.109 14.519 -48.470 1.00 0.59 H new ATOM 0 HB2 LYS A 93 -0.031 16.303 -47.159 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -0.525 16.366 -48.839 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -2.351 16.889 -46.463 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -1.597 18.128 -47.447 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -2.803 17.351 -49.438 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -3.467 15.994 -48.550 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -5.093 17.864 -48.782 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -4.755 17.475 -47.107 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -4.769 19.880 -47.605 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -3.305 19.348 -46.931 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -3.407 19.668 -48.595 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.358 12.873 -49.075 1.00 0.56 N ATOM 1486 CA CYS A 94 0.634 11.872 -49.429 1.00 0.54 C ATOM 1487 C CYS A 94 1.642 12.450 -50.408 1.00 0.52 C ATOM 1488 O CYS A 94 1.289 12.832 -51.528 1.00 0.64 O ATOM 1489 CB CYS A 94 -0.049 10.639 -50.029 1.00 0.73 C ATOM 1490 SG CYS A 94 1.077 9.284 -50.435 1.00 1.38 S ATOM 0 H CYS A 94 -1.224 12.818 -49.612 1.00 0.56 H new ATOM 0 HA CYS A 94 1.164 11.571 -48.526 1.00 0.54 H new ATOM 0 HB2 CYS A 94 -0.797 10.275 -49.325 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.580 10.937 -50.933 1.00 0.73 H new ATOM 0 HG CYS A 94 1.381 8.633 -49.352 1.00 1.38 H new ATOM 1496 N HIS A 95 2.892 12.530 -49.979 1.00 0.44 N ATOM 1497 CA HIS A 95 3.942 13.087 -50.809 1.00 0.50 C ATOM 1498 C HIS A 95 5.142 12.146 -50.849 1.00 0.44 C ATOM 1499 O HIS A 95 5.523 11.543 -49.840 1.00 0.44 O ATOM 1500 CB HIS A 95 4.349 14.468 -50.282 1.00 0.62 C ATOM 1501 CG HIS A 95 5.166 15.268 -51.248 1.00 0.95 C ATOM 1502 ND1 HIS A 95 4.649 15.786 -52.413 1.00 1.36 N ATOM 1503 CD2 HIS A 95 6.464 15.650 -51.215 1.00 1.84 C ATOM 1504 CE1 HIS A 95 5.588 16.450 -53.056 1.00 1.65 C ATOM 1505 NE2 HIS A 95 6.703 16.385 -52.352 1.00 1.98 N ATOM 0 H HIS A 95 3.202 12.215 -49.060 1.00 0.44 H new ATOM 0 HA HIS A 95 3.567 13.202 -51.826 1.00 0.50 H new ATOM 0 HB2 HIS A 95 3.450 15.030 -50.030 1.00 0.62 H new ATOM 0 HB3 HIS A 95 4.915 14.342 -49.359 1.00 0.62 H new ATOM 0 HD1 HIS A 95 3.686 15.673 -52.730 1.00 1.36 H new ATOM 0 HD2 HIS A 95 7.179 15.420 -50.439 1.00 1.84 H new ATOM 0 HE1 HIS A 95 5.466 16.961 -54.000 1.00 1.65 H new ATOM 1514 N THR A 96 5.718 12.009 -52.026 1.00 0.46 N ATOM 1515 CA THR A 96 6.858 11.143 -52.232 1.00 0.49 C ATOM 1516 C THR A 96 8.170 11.932 -52.208 1.00 0.46 C ATOM 1517 O THR A 96 8.217 13.092 -52.631 1.00 0.47 O ATOM 1518 CB THR A 96 6.700 10.406 -53.568 1.00 0.58 C ATOM 1519 OG1 THR A 96 5.994 11.251 -54.486 1.00 0.76 O ATOM 1520 CG2 THR A 96 5.941 9.101 -53.382 1.00 0.65 C ATOM 0 H THR A 96 5.408 12.496 -52.867 1.00 0.46 H new ATOM 0 HA THR A 96 6.897 10.419 -51.418 1.00 0.49 H new ATOM 0 HB THR A 96 7.689 10.170 -53.961 1.00 0.58 H new ATOM 0 HG1 THR A 96 6.637 11.740 -55.041 1.00 0.76 H new ATOM 0 HG21 THR A 96 5.842 8.597 -54.344 1.00 0.65 H new ATOM 0 HG22 THR A 96 6.486 8.459 -52.690 1.00 0.65 H new ATOM 0 HG23 THR A 96 4.950 9.311 -52.979 1.00 0.65 H new ATOM 1528 N PRO A 97 9.250 11.312 -51.703 1.00 0.47 N ATOM 1529 CA PRO A 97 10.562 11.962 -51.584 1.00 0.48 C ATOM 1530 C PRO A 97 11.198 12.263 -52.938 1.00 0.52 C ATOM 1531 O PRO A 97 12.064 13.135 -53.045 1.00 0.54 O ATOM 1532 CB PRO A 97 11.404 10.945 -50.811 1.00 0.53 C ATOM 1533 CG PRO A 97 10.737 9.635 -51.045 1.00 0.72 C ATOM 1534 CD PRO A 97 9.272 9.930 -51.196 1.00 0.51 C ATOM 0 HA PRO A 97 10.483 12.931 -51.091 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.434 10.933 -51.168 1.00 0.53 H new ATOM 0 HB3 PRO A 97 11.438 11.187 -49.749 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.131 9.152 -51.939 1.00 0.72 H new ATOM 0 HG3 PRO A 97 10.913 8.955 -50.212 1.00 0.72 H new ATOM 0 HD2 PRO A 97 8.793 9.240 -51.891 1.00 0.51 H new ATOM 0 HD3 PRO A 97 8.745 9.843 -50.246 1.00 0.51 H new ATOM 1542 N LEU A 98 10.766 11.546 -53.969 1.00 0.60 N ATOM 1543 CA LEU A 98 11.254 11.787 -55.318 1.00 0.71 C ATOM 1544 C LEU A 98 10.832 13.188 -55.758 1.00 0.66 C ATOM 1545 O LEU A 98 11.661 13.998 -56.165 1.00 0.71 O ATOM 1546 CB LEU A 98 10.687 10.720 -56.272 1.00 0.88 C ATOM 1547 CG LEU A 98 11.471 10.479 -57.573 1.00 1.34 C ATOM 1548 CD1 LEU A 98 11.417 11.686 -58.496 1.00 2.08 C ATOM 1549 CD2 LEU A 98 12.913 10.113 -57.259 1.00 1.78 C ATOM 0 H LEU A 98 10.080 10.795 -53.895 1.00 0.60 H new ATOM 0 HA LEU A 98 12.342 11.722 -55.340 1.00 0.71 H new ATOM 0 HB2 LEU A 98 10.625 9.776 -55.731 1.00 0.88 H new ATOM 0 HB3 LEU A 98 9.668 11.004 -56.535 1.00 0.88 H new ATOM 0 HG LEU A 98 10.999 9.647 -58.095 1.00 1.34 H new ATOM 0 HD11 LEU A 98 11.983 11.476 -59.404 1.00 2.08 H new ATOM 0 HD12 LEU A 98 10.380 11.899 -58.756 1.00 2.08 H new ATOM 0 HD13 LEU A 98 11.849 12.550 -57.991 1.00 2.08 H new ATOM 0 HD21 LEU A 98 13.457 9.945 -58.189 1.00 1.78 H new ATOM 0 HD22 LEU A 98 13.383 10.926 -56.706 1.00 1.78 H new ATOM 0 HD23 LEU A 98 12.935 9.205 -56.657 1.00 1.78 H new ATOM 1561 N GLU A 99 9.547 13.479 -55.616 1.00 0.65 N ATOM 1562 CA GLU A 99 9.011 14.786 -55.967 1.00 0.72 C ATOM 1563 C GLU A 99 9.479 15.844 -54.973 1.00 0.64 C ATOM 1564 O GLU A 99 9.628 17.013 -55.321 1.00 0.71 O ATOM 1565 CB GLU A 99 7.478 14.743 -56.011 1.00 0.88 C ATOM 1566 CG GLU A 99 6.905 14.089 -57.263 1.00 1.19 C ATOM 1567 CD GLU A 99 7.398 12.672 -57.481 1.00 1.91 C ATOM 1568 OE1 GLU A 99 7.379 11.876 -56.519 1.00 2.44 O ATOM 1569 OE2 GLU A 99 7.816 12.352 -58.612 1.00 2.69 O ATOM 0 H GLU A 99 8.853 12.823 -55.258 1.00 0.65 H new ATOM 0 HA GLU A 99 9.382 15.052 -56.957 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.116 14.204 -55.135 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.095 15.761 -55.939 1.00 0.88 H new ATOM 0 HG2 GLU A 99 5.817 14.081 -57.194 1.00 1.19 H new ATOM 0 HG3 GLU A 99 7.165 14.694 -58.132 1.00 1.19 H new ATOM 1576 N TYR A 100 9.714 15.422 -53.733 1.00 0.57 N ATOM 1577 CA TYR A 100 10.204 16.323 -52.696 1.00 0.63 C ATOM 1578 C TYR A 100 11.574 16.878 -53.069 1.00 0.66 C ATOM 1579 O TYR A 100 11.842 18.064 -52.880 1.00 0.76 O ATOM 1580 CB TYR A 100 10.274 15.604 -51.345 1.00 0.67 C ATOM 1581 CG TYR A 100 10.796 16.472 -50.219 1.00 0.85 C ATOM 1582 CD1 TYR A 100 10.018 17.494 -49.688 1.00 0.98 C ATOM 1583 CD2 TYR A 100 12.065 16.269 -49.686 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.490 18.288 -48.660 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.543 17.060 -48.658 1.00 1.15 C ATOM 1586 CZ TYR A 100 11.751 18.069 -48.148 1.00 1.24 C ATOM 1587 OH TYR A 100 12.214 18.856 -47.115 1.00 1.46 O ATOM 0 H TYR A 100 9.573 14.461 -53.423 1.00 0.57 H new ATOM 0 HA TYR A 100 9.504 17.154 -52.611 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.279 15.244 -51.083 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.914 14.727 -51.443 1.00 0.67 H new ATOM 0 HD1 TYR A 100 9.029 17.670 -50.085 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.687 15.480 -50.082 1.00 0.96 H new ATOM 0 HE1 TYR A 100 9.872 19.078 -48.259 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.531 16.889 -48.256 1.00 1.15 H new ATOM 0 HH TYR A 100 13.119 18.573 -46.868 1.00 1.46 H new ATOM 1597 N ASP A 101 12.427 16.017 -53.617 1.00 0.66 N ATOM 1598 CA ASP A 101 13.772 16.418 -54.021 1.00 0.78 C ATOM 1599 C ASP A 101 13.719 17.507 -55.086 1.00 0.81 C ATOM 1600 O ASP A 101 14.560 18.400 -55.114 1.00 0.93 O ATOM 1601 CB ASP A 101 14.564 15.215 -54.543 1.00 0.88 C ATOM 1602 CG ASP A 101 15.951 15.598 -55.032 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.832 15.874 -54.186 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.173 15.607 -56.262 1.00 1.14 O ATOM 0 H ASP A 101 12.211 15.036 -53.792 1.00 0.66 H new ATOM 0 HA ASP A 101 14.278 16.816 -53.141 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.654 14.472 -53.750 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.012 14.747 -55.358 1.00 0.88 H new ATOM 1609 N LYS A 102 12.705 17.446 -55.940 1.00 0.75 N ATOM 1610 CA LYS A 102 12.552 18.425 -57.008 1.00 0.84 C ATOM 1611 C LYS A 102 12.130 19.781 -56.449 1.00 0.89 C ATOM 1612 O LYS A 102 12.389 20.820 -57.058 1.00 1.05 O ATOM 1613 CB LYS A 102 11.536 17.949 -58.056 1.00 0.88 C ATOM 1614 CG LYS A 102 12.149 17.217 -59.251 1.00 1.03 C ATOM 1615 CD LYS A 102 12.329 15.720 -59.014 1.00 1.09 C ATOM 1616 CE LYS A 102 13.465 15.406 -58.052 1.00 1.86 C ATOM 1617 NZ LYS A 102 14.793 15.832 -58.564 1.00 2.66 N ATOM 0 H LYS A 102 11.978 16.731 -55.914 1.00 0.75 H new ATOM 0 HA LYS A 102 13.522 18.534 -57.493 1.00 0.84 H new ATOM 0 HB2 LYS A 102 10.817 17.288 -57.572 1.00 0.88 H new ATOM 0 HB3 LYS A 102 10.980 18.812 -58.422 1.00 0.88 H new ATOM 0 HG2 LYS A 102 11.514 17.366 -60.124 1.00 1.03 H new ATOM 0 HG3 LYS A 102 13.118 17.660 -59.482 1.00 1.03 H new ATOM 0 HD2 LYS A 102 11.401 15.305 -58.620 1.00 1.09 H new ATOM 0 HD3 LYS A 102 12.520 15.227 -59.967 1.00 1.09 H new ATOM 0 HE2 LYS A 102 13.274 15.899 -57.099 1.00 1.86 H new ATOM 0 HE3 LYS A 102 13.483 14.334 -57.858 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 15.538 15.488 -57.925 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 14.942 15.436 -59.514 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 14.830 16.870 -58.612 1.00 2.66 H new ATOM 1631 N LEU A 103 11.492 19.766 -55.285 1.00 0.83 N ATOM 1632 CA LEU A 103 11.063 20.997 -54.631 1.00 0.97 C ATOM 1633 C LEU A 103 12.256 21.701 -53.998 1.00 1.12 C ATOM 1634 O LEU A 103 12.490 22.882 -54.243 1.00 1.31 O ATOM 1635 CB LEU A 103 10.004 20.703 -53.565 1.00 0.98 C ATOM 1636 CG LEU A 103 8.735 20.018 -54.077 1.00 0.91 C ATOM 1637 CD1 LEU A 103 7.769 19.762 -52.930 1.00 1.01 C ATOM 1638 CD2 LEU A 103 8.070 20.857 -55.158 1.00 1.00 C ATOM 0 H LEU A 103 11.260 18.914 -54.774 1.00 0.83 H new ATOM 0 HA LEU A 103 10.624 21.650 -55.386 1.00 0.97 H new ATOM 0 HB2 LEU A 103 10.451 20.074 -52.795 1.00 0.98 H new ATOM 0 HB3 LEU A 103 9.723 21.641 -53.087 1.00 0.98 H new ATOM 0 HG LEU A 103 9.015 19.059 -54.513 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.872 19.274 -53.312 1.00 1.01 H new ATOM 0 HD12 LEU A 103 8.245 19.118 -52.190 1.00 1.01 H new ATOM 0 HD13 LEU A 103 7.497 20.710 -52.465 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.170 20.352 -55.508 1.00 1.00 H new ATOM 0 HD22 LEU A 103 7.804 21.832 -54.750 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.760 20.989 -55.992 1.00 1.00 H new