USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=17 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= -0.0981 USER MOD Single : A 26 GLN : amide:sc= 0.109 X(o=0.11,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.35 (180deg=1.33) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= 0.932 (180deg=-0.312!) USER MOD Single : A 34 SER OG : rot -75:sc= -1.07! USER MOD Single : A 35 SER OG : rot 78:sc= 1.01 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -2:sc= 0.591 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.04) USER MOD Single : A 54 SER OG : rot -9:sc= 0.21 USER MOD Single : A 61 SER OG : rot 103:sc= 1.75 USER MOD Single : A 62 ASN : amide:sc= 0.118 K(o=0.12,f=-0.99) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= 1.14 (180deg=0.911) USER MOD Single : A 73 HIS : no HD1:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.796 K(o=-0.8,f=0) USER MOD Single : A 78 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 86 ASN : amide:sc= 0.485 X(o=0.48,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.343 X(o=-0.34,f=0.011) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -143:sc= -0.0539 (180deg=-0.924) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0.132 USER MOD Single : A 95 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 96 THR OG1 : rot 117:sc= 0.896 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -179:sc= 0.776 (180deg=0.776) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 3.007 15.047 -26.053 1.00 1.24 N ATOM 359 CA CYS A 24 1.678 15.596 -26.271 1.00 0.95 C ATOM 360 C CYS A 24 0.905 14.652 -27.176 1.00 0.84 C ATOM 361 O CYS A 24 1.512 13.966 -27.999 1.00 0.77 O ATOM 362 CB CYS A 24 1.761 16.992 -26.899 1.00 0.99 C ATOM 363 SG CYS A 24 0.160 17.809 -27.102 1.00 1.71 S ATOM 0 HA CYS A 24 1.165 15.695 -25.315 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.401 17.620 -26.279 1.00 0.99 H new ATOM 0 HB3 CYS A 24 2.242 16.912 -27.874 1.00 0.99 H new ATOM 0 HG CYS A 24 0.335 18.981 -27.637 1.00 1.71 H new ATOM 369 N ILE A 25 -0.419 14.620 -27.025 1.00 0.89 N ATOM 370 CA ILE A 25 -1.262 13.682 -27.771 1.00 0.88 C ATOM 371 C ILE A 25 -1.006 13.769 -29.278 1.00 0.74 C ATOM 372 O ILE A 25 -0.973 12.748 -29.961 1.00 0.71 O ATOM 373 CB ILE A 25 -2.771 13.901 -27.475 1.00 1.05 C ATOM 374 CG1 ILE A 25 -3.626 12.847 -28.186 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.213 15.297 -27.882 1.00 1.09 C ATOM 376 CD1 ILE A 25 -3.332 11.427 -27.750 1.00 1.37 C ATOM 0 H ILE A 25 -0.933 15.233 -26.392 1.00 0.89 H new ATOM 0 HA ILE A 25 -0.989 12.683 -27.432 1.00 0.88 H new ATOM 0 HB ILE A 25 -2.914 13.797 -26.399 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -4.679 13.063 -28.003 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.466 12.928 -29.261 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.274 15.421 -27.663 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.638 16.037 -27.325 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.045 15.435 -28.950 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -3.976 10.738 -28.297 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -2.288 11.191 -27.958 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -3.520 11.328 -26.681 1.00 1.37 H new ATOM 388 N GLN A 26 -0.786 14.980 -29.787 1.00 0.69 N ATOM 389 CA GLN A 26 -0.516 15.170 -31.209 1.00 0.64 C ATOM 390 C GLN A 26 0.764 14.446 -31.614 1.00 0.56 C ATOM 391 O GLN A 26 0.767 13.648 -32.549 1.00 0.59 O ATOM 392 CB GLN A 26 -0.395 16.658 -31.543 1.00 0.70 C ATOM 393 CG GLN A 26 -0.097 16.925 -33.011 1.00 0.80 C ATOM 394 CD GLN A 26 0.172 18.386 -33.302 1.00 1.23 C ATOM 395 OE1 GLN A 26 -0.371 19.276 -32.647 1.00 1.75 O ATOM 396 NE2 GLN A 26 1.036 18.643 -34.272 1.00 1.54 N ATOM 0 H GLN A 26 -0.790 15.840 -29.238 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.352 14.750 -31.768 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -1.323 17.161 -31.271 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.395 17.097 -30.934 1.00 0.70 H new ATOM 0 HG2 GLN A 26 0.767 16.334 -33.314 1.00 0.80 H new ATOM 0 HG3 GLN A 26 -0.940 16.589 -33.615 1.00 0.80 H new ATOM 0 HE21 GLN A 26 1.464 17.876 -34.791 1.00 1.54 H new ATOM 0 HE22 GLN A 26 1.274 19.608 -34.501 1.00 1.54 H new ATOM 405 N LYS A 27 1.841 14.711 -30.884 1.00 0.56 N ATOM 406 CA LYS A 27 3.136 14.114 -31.182 1.00 0.60 C ATOM 407 C LYS A 27 3.093 12.599 -30.984 1.00 0.58 C ATOM 408 O LYS A 27 3.788 11.856 -31.678 1.00 0.58 O ATOM 409 CB LYS A 27 4.227 14.741 -30.308 1.00 0.75 C ATOM 410 CG LYS A 27 5.628 14.214 -30.595 1.00 1.27 C ATOM 411 CD LYS A 27 6.034 14.429 -32.049 1.00 1.53 C ATOM 412 CE LYS A 27 6.208 15.903 -32.380 1.00 1.93 C ATOM 413 NZ LYS A 27 6.560 16.110 -33.809 1.00 2.50 N ATOM 0 H LYS A 27 1.842 15.338 -30.079 1.00 0.56 H new ATOM 0 HA LYS A 27 3.373 14.313 -32.227 1.00 0.60 H new ATOM 0 HB2 LYS A 27 4.219 15.821 -30.454 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.989 14.559 -29.260 1.00 0.75 H new ATOM 0 HG2 LYS A 27 6.344 14.713 -29.941 1.00 1.27 H new ATOM 0 HG3 LYS A 27 5.670 13.150 -30.361 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.967 13.900 -32.247 1.00 1.53 H new ATOM 0 HD3 LYS A 27 5.278 13.997 -32.704 1.00 1.53 H new ATOM 0 HE2 LYS A 27 5.286 16.438 -32.152 1.00 1.93 H new ATOM 0 HE3 LYS A 27 6.988 16.328 -31.748 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 6.703 17.124 -33.988 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 7.435 15.592 -34.030 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 5.788 15.758 -34.411 1.00 2.50 H new ATOM 427 N VAL A 28 2.270 12.146 -30.042 1.00 0.62 N ATOM 428 CA VAL A 28 2.076 10.718 -29.825 1.00 0.68 C ATOM 429 C VAL A 28 1.491 10.072 -31.076 1.00 0.62 C ATOM 430 O VAL A 28 1.974 9.037 -31.531 1.00 0.62 O ATOM 431 CB VAL A 28 1.158 10.435 -28.613 1.00 0.77 C ATOM 432 CG1 VAL A 28 0.878 8.944 -28.478 1.00 1.03 C ATOM 433 CG2 VAL A 28 1.786 10.965 -27.333 1.00 1.04 C ATOM 0 H VAL A 28 1.729 12.746 -29.419 1.00 0.62 H new ATOM 0 HA VAL A 28 3.053 10.286 -29.610 1.00 0.68 H new ATOM 0 HB VAL A 28 0.212 10.950 -28.781 1.00 0.77 H new ATOM 0 HG11 VAL A 28 0.230 8.772 -27.618 1.00 1.03 H new ATOM 0 HG12 VAL A 28 0.386 8.583 -29.381 1.00 1.03 H new ATOM 0 HG13 VAL A 28 1.817 8.409 -28.338 1.00 1.03 H new ATOM 0 HG21 VAL A 28 1.126 10.757 -26.491 1.00 1.04 H new ATOM 0 HG22 VAL A 28 2.747 10.477 -27.170 1.00 1.04 H new ATOM 0 HG23 VAL A 28 1.935 12.041 -27.420 1.00 1.04 H new ATOM 443 N ILE A 29 0.468 10.708 -31.640 1.00 0.60 N ATOM 444 CA ILE A 29 -0.148 10.232 -32.873 1.00 0.57 C ATOM 445 C ILE A 29 0.860 10.272 -34.020 1.00 0.52 C ATOM 446 O ILE A 29 0.958 9.332 -34.811 1.00 0.51 O ATOM 447 CB ILE A 29 -1.387 11.077 -33.252 1.00 0.62 C ATOM 448 CG1 ILE A 29 -2.419 11.074 -32.115 1.00 0.75 C ATOM 449 CG2 ILE A 29 -2.017 10.564 -34.539 1.00 0.67 C ATOM 450 CD1 ILE A 29 -2.890 9.693 -31.712 1.00 0.79 C ATOM 0 H ILE A 29 0.048 11.557 -31.261 1.00 0.60 H new ATOM 0 HA ILE A 29 -0.470 9.205 -32.701 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.057 12.103 -33.414 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -1.986 11.567 -31.245 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.282 11.666 -32.420 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.887 11.173 -34.786 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -1.290 10.624 -35.349 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -2.326 9.527 -34.405 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -3.617 9.778 -30.904 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -3.354 9.203 -32.568 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -2.039 9.103 -31.374 1.00 0.79 H new ATOM 462 N GLU A 30 1.619 11.362 -34.091 1.00 0.53 N ATOM 463 CA GLU A 30 2.652 11.516 -35.108 1.00 0.55 C ATOM 464 C GLU A 30 3.616 10.335 -35.091 1.00 0.55 C ATOM 465 O GLU A 30 3.855 9.707 -36.120 1.00 0.58 O ATOM 466 CB GLU A 30 3.427 12.817 -34.894 1.00 0.64 C ATOM 467 CG GLU A 30 2.610 14.072 -35.148 1.00 0.99 C ATOM 468 CD GLU A 30 3.420 15.335 -34.943 1.00 1.49 C ATOM 469 OE1 GLU A 30 4.564 15.398 -35.434 1.00 1.84 O ATOM 470 OE2 GLU A 30 2.922 16.275 -34.292 1.00 2.20 O ATOM 0 H GLU A 30 1.537 12.154 -33.453 1.00 0.53 H new ATOM 0 HA GLU A 30 2.159 11.550 -36.080 1.00 0.55 H new ATOM 0 HB2 GLU A 30 3.801 12.841 -33.871 1.00 0.64 H new ATOM 0 HB3 GLU A 30 4.296 12.822 -35.552 1.00 0.64 H new ATOM 0 HG2 GLU A 30 2.224 14.052 -36.167 1.00 0.99 H new ATOM 0 HG3 GLU A 30 1.748 14.083 -34.481 1.00 0.99 H new ATOM 477 N ASP A 31 4.153 10.026 -33.914 1.00 0.57 N ATOM 478 CA ASP A 31 5.100 8.922 -33.762 1.00 0.64 C ATOM 479 C ASP A 31 4.416 7.579 -33.995 1.00 0.57 C ATOM 480 O ASP A 31 5.008 6.648 -34.546 1.00 0.61 O ATOM 481 CB ASP A 31 5.728 8.944 -32.367 1.00 0.80 C ATOM 482 CG ASP A 31 6.601 7.733 -32.104 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.784 7.746 -32.509 1.00 1.17 O ATOM 484 OD2 ASP A 31 6.108 6.760 -31.487 1.00 1.67 O ATOM 0 H ASP A 31 3.949 10.525 -33.048 1.00 0.57 H new ATOM 0 HA ASP A 31 5.883 9.049 -34.510 1.00 0.64 H new ATOM 0 HB2 ASP A 31 6.325 9.849 -32.255 1.00 0.80 H new ATOM 0 HB3 ASP A 31 4.938 8.988 -31.617 1.00 0.80 H new ATOM 489 N LYS A 32 3.162 7.502 -33.591 1.00 0.53 N ATOM 490 CA LYS A 32 2.382 6.282 -33.687 1.00 0.55 C ATOM 491 C LYS A 32 2.254 5.814 -35.139 1.00 0.48 C ATOM 492 O LYS A 32 2.628 4.686 -35.469 1.00 0.52 O ATOM 493 CB LYS A 32 1.009 6.532 -33.070 1.00 0.67 C ATOM 494 CG LYS A 32 0.013 5.407 -33.242 1.00 0.97 C ATOM 495 CD LYS A 32 0.318 4.209 -32.370 1.00 1.09 C ATOM 496 CE LYS A 32 -0.975 3.569 -31.891 1.00 1.51 C ATOM 497 NZ LYS A 32 -2.043 3.631 -32.927 1.00 2.03 N ATOM 0 H LYS A 32 2.653 8.287 -33.185 1.00 0.53 H new ATOM 0 HA LYS A 32 2.890 5.486 -33.143 1.00 0.55 H new ATOM 0 HB2 LYS A 32 1.136 6.724 -32.005 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.590 7.437 -33.509 1.00 0.67 H new ATOM 0 HG2 LYS A 32 -0.986 5.775 -33.008 1.00 0.97 H new ATOM 0 HG3 LYS A 32 0.002 5.096 -34.287 1.00 0.97 H new ATOM 0 HD2 LYS A 32 0.907 3.482 -32.930 1.00 1.09 H new ATOM 0 HD3 LYS A 32 0.920 4.516 -31.515 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -0.788 2.529 -31.624 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -1.316 4.073 -30.987 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -2.743 2.883 -32.749 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -2.510 4.559 -32.889 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -1.622 3.494 -33.868 1.00 2.03 H new ATOM 511 N LEU A 33 1.747 6.683 -36.005 1.00 0.44 N ATOM 512 CA LEU A 33 1.577 6.331 -37.408 1.00 0.44 C ATOM 513 C LEU A 33 2.916 6.307 -38.153 1.00 0.46 C ATOM 514 O LEU A 33 3.090 5.535 -39.097 1.00 0.51 O ATOM 515 CB LEU A 33 0.571 7.277 -38.088 1.00 0.47 C ATOM 516 CG LEU A 33 0.924 8.769 -38.087 1.00 0.48 C ATOM 517 CD1 LEU A 33 1.790 9.125 -39.286 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.342 9.613 -38.076 1.00 0.55 C ATOM 0 H LEU A 33 1.449 7.628 -35.763 1.00 0.44 H new ATOM 0 HA LEU A 33 1.172 5.320 -37.451 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.448 6.957 -39.123 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.396 7.155 -37.599 1.00 0.47 H new ATOM 0 HG LEU A 33 1.494 8.982 -37.183 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.026 10.189 -39.261 1.00 0.57 H new ATOM 0 HD12 LEU A 33 2.714 8.547 -39.252 1.00 0.57 H new ATOM 0 HD13 LEU A 33 1.252 8.894 -40.205 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -0.075 10.670 -38.075 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.936 9.389 -38.962 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.923 9.385 -37.183 1.00 0.55 H new ATOM 530 N SER A 34 3.870 7.126 -37.718 1.00 0.47 N ATOM 531 CA SER A 34 5.162 7.206 -38.395 1.00 0.53 C ATOM 532 C SER A 34 5.997 5.953 -38.143 1.00 0.54 C ATOM 533 O SER A 34 6.756 5.527 -39.004 1.00 0.59 O ATOM 534 CB SER A 34 5.934 8.457 -37.975 1.00 0.60 C ATOM 535 OG SER A 34 6.143 8.489 -36.580 1.00 1.29 O ATOM 0 H SER A 34 3.775 7.738 -36.908 1.00 0.47 H new ATOM 0 HA SER A 34 4.964 7.274 -39.465 1.00 0.53 H new ATOM 0 HB2 SER A 34 6.895 8.483 -38.489 1.00 0.60 H new ATOM 0 HB3 SER A 34 5.384 9.346 -38.282 1.00 0.60 H new ATOM 0 HG SER A 34 5.307 8.729 -36.129 1.00 1.29 H new ATOM 541 N SER A 35 5.860 5.366 -36.966 1.00 0.55 N ATOM 542 CA SER A 35 6.560 4.127 -36.654 1.00 0.62 C ATOM 543 C SER A 35 6.058 2.978 -37.528 1.00 0.59 C ATOM 544 O SER A 35 6.791 2.025 -37.801 1.00 0.65 O ATOM 545 CB SER A 35 6.404 3.788 -35.173 1.00 0.72 C ATOM 546 OG SER A 35 7.045 4.759 -34.365 1.00 0.78 O ATOM 0 H SER A 35 5.273 5.724 -36.212 1.00 0.55 H new ATOM 0 HA SER A 35 7.619 4.270 -36.868 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.346 3.736 -34.917 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.829 2.804 -34.974 1.00 0.72 H new ATOM 0 HG SER A 35 6.481 5.558 -34.305 1.00 0.78 H new ATOM 552 N ALA A 36 4.810 3.072 -37.965 1.00 0.54 N ATOM 553 CA ALA A 36 4.214 2.034 -38.789 1.00 0.57 C ATOM 554 C ALA A 36 4.457 2.286 -40.279 1.00 0.51 C ATOM 555 O ALA A 36 4.898 1.392 -40.999 1.00 0.52 O ATOM 556 CB ALA A 36 2.728 1.928 -38.499 1.00 0.64 C ATOM 0 H ALA A 36 4.192 3.857 -37.762 1.00 0.54 H new ATOM 0 HA ALA A 36 4.694 1.088 -38.537 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.291 1.147 -39.121 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.579 1.680 -37.448 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.246 2.880 -38.719 1.00 0.64 H new ATOM 562 N LEU A 37 4.176 3.502 -40.735 1.00 0.50 N ATOM 563 CA LEU A 37 4.314 3.835 -42.154 1.00 0.53 C ATOM 564 C LEU A 37 5.754 4.197 -42.516 1.00 0.52 C ATOM 565 O LEU A 37 6.191 3.969 -43.643 1.00 0.62 O ATOM 566 CB LEU A 37 3.384 4.995 -42.524 1.00 0.57 C ATOM 567 CG LEU A 37 1.887 4.680 -42.457 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.067 5.933 -42.735 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.531 3.580 -43.446 1.00 0.94 C ATOM 0 H LEU A 37 3.853 4.272 -40.149 1.00 0.50 H new ATOM 0 HA LEU A 37 4.035 2.948 -42.722 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.592 5.833 -41.858 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.625 5.324 -43.535 1.00 0.57 H new ATOM 0 HG LEU A 37 1.652 4.330 -41.452 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.005 5.692 -42.684 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.303 6.694 -41.991 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.306 6.311 -43.729 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.464 3.368 -43.386 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.780 3.905 -44.456 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.094 2.678 -43.205 1.00 0.94 H new ATOM 581 N LYS A 38 6.474 4.756 -41.548 1.00 0.47 N ATOM 582 CA LYS A 38 7.848 5.228 -41.741 1.00 0.52 C ATOM 583 C LYS A 38 7.961 6.234 -42.886 1.00 0.47 C ATOM 584 O LYS A 38 8.309 5.882 -44.014 1.00 0.54 O ATOM 585 CB LYS A 38 8.823 4.065 -41.952 1.00 0.70 C ATOM 586 CG LYS A 38 9.583 3.670 -40.693 1.00 1.32 C ATOM 587 CD LYS A 38 10.361 4.851 -40.125 1.00 1.93 C ATOM 588 CE LYS A 38 11.403 4.416 -39.101 1.00 2.67 C ATOM 589 NZ LYS A 38 10.803 3.789 -37.890 1.00 3.36 N ATOM 0 H LYS A 38 6.122 4.897 -40.601 1.00 0.47 H new ATOM 0 HA LYS A 38 8.125 5.743 -40.821 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.270 3.200 -42.319 1.00 0.70 H new ATOM 0 HB3 LYS A 38 9.539 4.338 -42.728 1.00 0.70 H new ATOM 0 HG2 LYS A 38 8.883 3.298 -39.944 1.00 1.32 H new ATOM 0 HG3 LYS A 38 10.270 2.854 -40.920 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.854 5.384 -40.938 1.00 1.93 H new ATOM 0 HD3 LYS A 38 9.667 5.551 -39.660 1.00 1.93 H new ATOM 0 HE2 LYS A 38 12.089 3.709 -39.567 1.00 2.67 H new ATOM 0 HE3 LYS A 38 11.993 5.282 -38.801 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 11.559 3.514 -37.231 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 10.168 4.469 -37.425 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 10.262 2.945 -38.168 1.00 3.36 H new ATOM 603 N PRO A 39 7.642 7.504 -42.612 1.00 0.46 N ATOM 604 CA PRO A 39 7.804 8.579 -43.568 1.00 0.47 C ATOM 605 C PRO A 39 9.158 9.272 -43.424 1.00 0.51 C ATOM 606 O PRO A 39 9.635 9.501 -42.313 1.00 0.63 O ATOM 607 CB PRO A 39 6.666 9.527 -43.196 1.00 0.50 C ATOM 608 CG PRO A 39 6.420 9.307 -41.733 1.00 0.54 C ATOM 609 CD PRO A 39 7.072 7.995 -41.351 1.00 0.52 C ATOM 0 HA PRO A 39 7.774 8.235 -44.602 1.00 0.47 H new ATOM 0 HB2 PRO A 39 6.938 10.563 -43.396 1.00 0.50 H new ATOM 0 HB3 PRO A 39 5.771 9.314 -43.780 1.00 0.50 H new ATOM 0 HG2 PRO A 39 6.837 10.126 -41.147 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.350 9.278 -41.525 1.00 0.54 H new ATOM 0 HD2 PRO A 39 7.842 8.137 -40.593 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.346 7.293 -40.940 1.00 0.52 H new ATOM 617 N THR A 40 9.777 9.597 -44.549 1.00 0.52 N ATOM 618 CA THR A 40 11.029 10.333 -44.542 1.00 0.61 C ATOM 619 C THR A 40 10.801 11.762 -44.052 1.00 0.62 C ATOM 620 O THR A 40 11.665 12.363 -43.412 1.00 0.73 O ATOM 621 CB THR A 40 11.672 10.354 -45.945 1.00 0.67 C ATOM 622 OG1 THR A 40 10.686 10.667 -46.940 1.00 0.70 O ATOM 623 CG2 THR A 40 12.313 9.014 -46.269 1.00 0.71 C ATOM 0 H THR A 40 9.431 9.361 -45.479 1.00 0.52 H new ATOM 0 HA THR A 40 11.712 9.825 -43.861 1.00 0.61 H new ATOM 0 HB THR A 40 12.446 11.122 -45.948 1.00 0.67 H new ATOM 0 HG1 THR A 40 9.810 10.768 -46.512 1.00 0.70 H new ATOM 0 HG21 THR A 40 12.759 9.055 -47.263 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.086 8.793 -45.533 1.00 0.71 H new ATOM 0 HG23 THR A 40 11.554 8.232 -46.244 1.00 0.71 H new ATOM 631 N PHE A 41 9.621 12.291 -44.360 1.00 0.54 N ATOM 632 CA PHE A 41 9.223 13.614 -43.904 1.00 0.55 C ATOM 633 C PHE A 41 7.740 13.604 -43.547 1.00 0.48 C ATOM 634 O PHE A 41 6.918 13.104 -44.315 1.00 0.45 O ATOM 635 CB PHE A 41 9.506 14.661 -44.989 1.00 0.57 C ATOM 636 CG PHE A 41 9.278 16.077 -44.537 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.223 16.729 -43.761 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.123 16.756 -44.890 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.019 18.031 -43.346 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.914 18.059 -44.477 1.00 0.70 C ATOM 641 CZ PHE A 41 8.864 18.697 -43.703 1.00 0.75 C ATOM 0 H PHE A 41 8.920 11.817 -44.929 1.00 0.54 H new ATOM 0 HA PHE A 41 9.802 13.877 -43.019 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.539 14.557 -45.321 1.00 0.57 H new ATOM 0 HB3 PHE A 41 8.872 14.458 -45.852 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.129 16.214 -43.478 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.377 16.262 -45.495 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.764 18.528 -42.742 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.009 18.577 -44.759 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.703 19.714 -43.378 1.00 0.75 H new ATOM 651 N LEU A 42 7.405 14.136 -42.383 1.00 0.50 N ATOM 652 CA LEU A 42 6.019 14.184 -41.936 1.00 0.48 C ATOM 653 C LEU A 42 5.736 15.495 -41.211 1.00 0.54 C ATOM 654 O LEU A 42 6.267 15.743 -40.127 1.00 0.64 O ATOM 655 CB LEU A 42 5.721 13.003 -41.006 1.00 0.53 C ATOM 656 CG LEU A 42 4.280 12.921 -40.493 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.316 12.641 -41.637 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.159 11.853 -39.418 1.00 1.55 C ATOM 0 H LEU A 42 8.074 14.542 -41.728 1.00 0.50 H new ATOM 0 HA LEU A 42 5.374 14.120 -42.812 1.00 0.48 H new ATOM 0 HB2 LEU A 42 5.954 12.078 -41.534 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.392 13.059 -40.149 1.00 0.53 H new ATOM 0 HG LEU A 42 4.017 13.884 -40.055 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.298 12.587 -41.250 1.00 1.03 H new ATOM 0 HD12 LEU A 42 3.382 13.442 -42.373 1.00 1.03 H new ATOM 0 HD13 LEU A 42 3.576 11.693 -42.108 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.129 11.808 -39.064 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.443 10.886 -39.832 1.00 1.55 H new ATOM 0 HD23 LEU A 42 4.818 12.099 -38.585 1.00 1.55 H new ATOM 670 N GLU A 43 4.901 16.332 -41.808 1.00 0.57 N ATOM 671 CA GLU A 43 4.560 17.616 -41.210 1.00 0.69 C ATOM 672 C GLU A 43 3.048 17.758 -41.088 1.00 0.60 C ATOM 673 O GLU A 43 2.311 17.376 -41.993 1.00 0.53 O ATOM 674 CB GLU A 43 5.134 18.768 -42.041 1.00 0.82 C ATOM 675 CG GLU A 43 4.876 20.143 -41.438 1.00 1.00 C ATOM 676 CD GLU A 43 5.491 20.301 -40.062 1.00 1.62 C ATOM 677 OE1 GLU A 43 4.925 19.765 -39.084 1.00 2.23 O ATOM 678 OE2 GLU A 43 6.538 20.969 -39.950 1.00 2.19 O ATOM 0 H GLU A 43 4.448 16.147 -42.703 1.00 0.57 H new ATOM 0 HA GLU A 43 4.998 17.657 -40.213 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.209 18.625 -42.151 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.703 18.733 -43.042 1.00 0.82 H new ATOM 0 HG2 GLU A 43 5.279 20.908 -42.102 1.00 1.00 H new ATOM 0 HG3 GLU A 43 3.801 20.311 -41.373 1.00 1.00 H new ATOM 685 N LEU A 44 2.593 18.304 -39.970 1.00 0.67 N ATOM 686 CA LEU A 44 1.166 18.461 -39.725 1.00 0.65 C ATOM 687 C LEU A 44 0.805 19.934 -39.605 1.00 0.64 C ATOM 688 O LEU A 44 1.354 20.648 -38.767 1.00 0.77 O ATOM 689 CB LEU A 44 0.730 17.717 -38.453 1.00 0.82 C ATOM 690 CG LEU A 44 0.709 16.185 -38.544 1.00 0.97 C ATOM 691 CD1 LEU A 44 2.116 15.604 -38.527 1.00 1.27 C ATOM 692 CD2 LEU A 44 -0.122 15.603 -37.411 1.00 1.72 C ATOM 0 H LEU A 44 3.191 18.646 -39.218 1.00 0.67 H new ATOM 0 HA LEU A 44 0.638 18.028 -40.575 1.00 0.65 H new ATOM 0 HB2 LEU A 44 1.398 18.004 -37.641 1.00 0.82 H new ATOM 0 HB3 LEU A 44 -0.268 18.059 -38.180 1.00 0.82 H new ATOM 0 HG LEU A 44 0.252 15.912 -39.495 1.00 0.97 H new ATOM 0 HD11 LEU A 44 2.062 14.517 -38.593 1.00 1.27 H new ATOM 0 HD12 LEU A 44 2.680 15.991 -39.376 1.00 1.27 H new ATOM 0 HD13 LEU A 44 2.615 15.887 -37.600 1.00 1.27 H new ATOM 0 HD21 LEU A 44 -0.129 14.516 -37.486 1.00 1.72 H new ATOM 0 HD22 LEU A 44 0.310 15.897 -36.455 1.00 1.72 H new ATOM 0 HD23 LEU A 44 -1.143 15.978 -37.479 1.00 1.72 H new ATOM 704 N VAL A 45 -0.109 20.389 -40.450 1.00 0.57 N ATOM 705 CA VAL A 45 -0.570 21.770 -40.410 1.00 0.63 C ATOM 706 C VAL A 45 -2.028 21.850 -39.976 1.00 0.60 C ATOM 707 O VAL A 45 -2.811 20.924 -40.204 1.00 0.56 O ATOM 708 CB VAL A 45 -0.403 22.482 -41.772 1.00 0.73 C ATOM 709 CG1 VAL A 45 1.063 22.781 -42.045 1.00 1.08 C ATOM 710 CG2 VAL A 45 -0.993 21.654 -42.900 1.00 0.90 C ATOM 0 H VAL A 45 -0.547 19.820 -41.174 1.00 0.57 H new ATOM 0 HA VAL A 45 0.055 22.281 -39.678 1.00 0.63 H new ATOM 0 HB VAL A 45 -0.948 23.425 -41.724 1.00 0.73 H new ATOM 0 HG11 VAL A 45 1.159 23.282 -43.008 1.00 1.08 H new ATOM 0 HG12 VAL A 45 1.455 23.427 -41.259 1.00 1.08 H new ATOM 0 HG13 VAL A 45 1.627 21.849 -42.063 1.00 1.08 H new ATOM 0 HG21 VAL A 45 -0.861 22.180 -43.845 1.00 0.90 H new ATOM 0 HG22 VAL A 45 -0.486 20.690 -42.947 1.00 0.90 H new ATOM 0 HG23 VAL A 45 -2.056 21.497 -42.718 1.00 0.90 H new ATOM 720 N ASP A 46 -2.380 22.957 -39.340 1.00 0.76 N ATOM 721 CA ASP A 46 -3.739 23.180 -38.868 1.00 0.83 C ATOM 722 C ASP A 46 -4.637 23.601 -40.026 1.00 0.80 C ATOM 723 O ASP A 46 -4.389 24.616 -40.684 1.00 0.99 O ATOM 724 CB ASP A 46 -3.737 24.254 -37.775 1.00 1.16 C ATOM 725 CG ASP A 46 -5.123 24.605 -37.272 1.00 1.38 C ATOM 726 OD1 ASP A 46 -5.671 23.851 -36.441 1.00 1.83 O ATOM 727 OD2 ASP A 46 -5.659 25.659 -37.685 1.00 1.57 O ATOM 0 H ASP A 46 -1.737 23.722 -39.137 1.00 0.76 H new ATOM 0 HA ASP A 46 -4.129 22.252 -38.451 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -3.132 23.908 -36.937 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -3.260 25.155 -38.162 1.00 1.16 H new ATOM 732 N LYS A 47 -5.664 22.808 -40.288 1.00 0.81 N ATOM 733 CA LYS A 47 -6.596 23.092 -41.366 1.00 1.03 C ATOM 734 C LYS A 47 -7.860 23.729 -40.803 1.00 1.12 C ATOM 735 O LYS A 47 -8.505 23.168 -39.913 1.00 1.66 O ATOM 736 CB LYS A 47 -6.953 21.808 -42.123 1.00 1.36 C ATOM 737 CG LYS A 47 -7.827 22.044 -43.349 1.00 1.85 C ATOM 738 CD LYS A 47 -8.432 20.748 -43.873 1.00 2.14 C ATOM 739 CE LYS A 47 -7.368 19.732 -44.258 1.00 2.34 C ATOM 740 NZ LYS A 47 -6.508 20.216 -45.367 1.00 2.76 N ATOM 0 H LYS A 47 -5.873 21.958 -39.765 1.00 0.81 H new ATOM 0 HA LYS A 47 -6.122 23.784 -42.061 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -6.033 21.312 -42.433 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -7.469 21.128 -41.445 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -8.626 22.742 -43.097 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -7.232 22.511 -44.134 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -9.083 20.319 -43.111 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -9.056 20.965 -44.740 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -6.748 19.510 -43.389 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -7.848 18.799 -44.553 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -5.912 19.436 -45.710 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -7.106 20.563 -46.144 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -5.903 20.989 -45.025 1.00 2.76 H new ATOM 815 N SER A 54 -9.329 20.454 -37.957 1.00 1.25 N ATOM 816 CA SER A 54 -8.806 19.382 -38.783 1.00 1.00 C ATOM 817 C SER A 54 -7.300 19.533 -38.973 1.00 0.82 C ATOM 818 O SER A 54 -6.786 20.648 -39.064 1.00 0.89 O ATOM 819 CB SER A 54 -9.524 19.377 -40.133 1.00 1.14 C ATOM 820 OG SER A 54 -9.617 20.688 -40.664 1.00 1.71 O ATOM 0 HA SER A 54 -8.985 18.430 -38.283 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.988 18.735 -40.832 1.00 1.14 H new ATOM 0 HB3 SER A 54 -10.523 18.956 -40.016 1.00 1.14 H new ATOM 0 HG SER A 54 -9.326 21.336 -39.989 1.00 1.71 H new ATOM 826 N PHE A 55 -6.598 18.414 -39.019 1.00 0.67 N ATOM 827 CA PHE A 55 -5.154 18.427 -39.198 1.00 0.60 C ATOM 828 C PHE A 55 -4.778 17.860 -40.557 1.00 0.52 C ATOM 829 O PHE A 55 -5.279 16.812 -40.963 1.00 0.50 O ATOM 830 CB PHE A 55 -4.464 17.626 -38.092 1.00 0.67 C ATOM 831 CG PHE A 55 -4.568 18.261 -36.734 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.632 19.194 -36.319 1.00 0.86 C ATOM 833 CD2 PHE A 55 -5.600 17.924 -35.873 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.723 19.781 -35.071 1.00 1.03 C ATOM 835 CE2 PHE A 55 -5.696 18.507 -34.624 1.00 1.15 C ATOM 836 CZ PHE A 55 -4.756 19.436 -34.222 1.00 1.15 C ATOM 0 H PHE A 55 -7.004 17.482 -38.935 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.818 19.462 -39.143 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.901 16.628 -38.051 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -3.411 17.503 -38.347 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.821 19.466 -36.979 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -6.337 17.198 -36.182 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.987 20.508 -34.760 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -6.506 18.237 -33.962 1.00 1.15 H new ATOM 0 HZ PHE A 55 -4.829 19.892 -33.246 1.00 1.15 H new ATOM 846 N ASP A 56 -3.904 18.565 -41.257 1.00 0.51 N ATOM 847 CA ASP A 56 -3.437 18.132 -42.568 1.00 0.52 C ATOM 848 C ASP A 56 -1.996 17.654 -42.457 1.00 0.50 C ATOM 849 O ASP A 56 -1.093 18.453 -42.214 1.00 0.55 O ATOM 850 CB ASP A 56 -3.519 19.286 -43.571 1.00 0.58 C ATOM 851 CG ASP A 56 -3.577 18.817 -45.014 1.00 0.64 C ATOM 852 OD1 ASP A 56 -4.659 18.371 -45.456 1.00 1.23 O ATOM 853 OD2 ASP A 56 -2.557 18.925 -45.720 1.00 1.35 O ATOM 0 H ASP A 56 -3.500 19.446 -40.938 1.00 0.51 H new ATOM 0 HA ASP A 56 -4.070 17.317 -42.919 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.403 19.886 -43.354 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.653 19.935 -43.441 1.00 0.58 H new ATOM 858 N ALA A 57 -1.781 16.359 -42.603 1.00 0.48 N ATOM 859 CA ALA A 57 -0.446 15.802 -42.470 1.00 0.48 C ATOM 860 C ALA A 57 0.128 15.415 -43.822 1.00 0.44 C ATOM 861 O ALA A 57 -0.388 14.528 -44.498 1.00 0.46 O ATOM 862 CB ALA A 57 -0.464 14.597 -41.547 1.00 0.51 C ATOM 0 H ALA A 57 -2.509 15.676 -42.813 1.00 0.48 H new ATOM 0 HA ALA A 57 0.194 16.571 -42.038 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.544 14.192 -41.458 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.822 14.898 -40.563 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -1.127 13.835 -41.957 1.00 0.51 H new ATOM 868 N VAL A 58 1.199 16.087 -44.206 1.00 0.42 N ATOM 869 CA VAL A 58 1.911 15.762 -45.424 1.00 0.41 C ATOM 870 C VAL A 58 2.855 14.599 -45.160 1.00 0.39 C ATOM 871 O VAL A 58 3.836 14.735 -44.420 1.00 0.41 O ATOM 872 CB VAL A 58 2.711 16.967 -45.962 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.410 16.612 -47.267 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.803 18.173 -46.153 1.00 0.55 C ATOM 0 H VAL A 58 1.596 16.868 -43.684 1.00 0.42 H new ATOM 0 HA VAL A 58 1.176 15.489 -46.181 1.00 0.41 H new ATOM 0 HB VAL A 58 3.473 17.224 -45.226 1.00 0.48 H new ATOM 0 HG11 VAL A 58 3.968 17.476 -47.628 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.096 15.782 -47.098 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.667 16.323 -48.011 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.387 19.011 -46.533 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.016 17.927 -46.866 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.355 18.446 -45.198 1.00 0.55 H new ATOM 884 N ILE A 59 2.542 13.457 -45.747 1.00 0.38 N ATOM 885 CA ILE A 59 3.318 12.254 -45.529 1.00 0.40 C ATOM 886 C ILE A 59 4.196 11.968 -46.744 1.00 0.44 C ATOM 887 O ILE A 59 3.713 11.623 -47.825 1.00 0.65 O ATOM 888 CB ILE A 59 2.398 11.045 -45.173 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.205 9.742 -44.977 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.301 10.858 -46.214 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.445 8.936 -46.244 1.00 0.80 C ATOM 0 H ILE A 59 1.751 13.340 -46.381 1.00 0.38 H new ATOM 0 HA ILE A 59 3.974 12.411 -44.673 1.00 0.40 H new ATOM 0 HB ILE A 59 1.922 11.277 -44.220 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.170 9.993 -44.536 1.00 1.18 H new ATOM 0 HG13 ILE A 59 2.680 9.113 -44.258 1.00 1.18 H new ATOM 0 HG21 ILE A 59 0.678 10.008 -45.937 1.00 0.77 H new ATOM 0 HG22 ILE A 59 0.688 11.758 -46.262 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.752 10.674 -47.189 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.019 8.041 -46.003 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.488 8.647 -46.678 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.000 9.541 -46.960 1.00 0.80 H new ATOM 903 N VAL A 60 5.490 12.167 -46.562 1.00 0.39 N ATOM 904 CA VAL A 60 6.470 11.885 -47.594 1.00 0.42 C ATOM 905 C VAL A 60 7.238 10.625 -47.226 1.00 0.40 C ATOM 906 O VAL A 60 8.060 10.647 -46.311 1.00 0.44 O ATOM 907 CB VAL A 60 7.457 13.063 -47.763 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.463 12.775 -48.863 1.00 0.58 C ATOM 909 CG2 VAL A 60 6.711 14.358 -48.049 1.00 0.58 C ATOM 0 H VAL A 60 5.889 12.528 -45.696 1.00 0.39 H new ATOM 0 HA VAL A 60 5.946 11.742 -48.539 1.00 0.42 H new ATOM 0 HB VAL A 60 8.001 13.180 -46.826 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.146 13.619 -48.962 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.029 11.878 -48.613 1.00 0.58 H new ATOM 0 HG13 VAL A 60 7.938 12.621 -49.806 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.426 15.172 -48.164 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.133 14.250 -48.967 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.038 14.581 -47.221 1.00 0.58 H new ATOM 919 N SER A 61 6.965 9.526 -47.915 1.00 0.39 N ATOM 920 CA SER A 61 7.559 8.244 -47.549 1.00 0.42 C ATOM 921 C SER A 61 7.920 7.410 -48.772 1.00 0.42 C ATOM 922 O SER A 61 7.258 7.484 -49.809 1.00 0.43 O ATOM 923 CB SER A 61 6.599 7.452 -46.657 1.00 0.45 C ATOM 924 OG SER A 61 7.095 6.148 -46.400 1.00 0.84 O ATOM 0 H SER A 61 6.343 9.493 -48.723 1.00 0.39 H new ATOM 0 HA SER A 61 8.479 8.459 -47.005 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.454 7.981 -45.715 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.623 7.384 -47.138 1.00 0.45 H new ATOM 0 HG SER A 61 7.466 6.112 -45.494 1.00 0.84 H new ATOM 930 N ASN A 62 8.985 6.623 -48.635 1.00 0.51 N ATOM 931 CA ASN A 62 9.394 5.674 -49.665 1.00 0.57 C ATOM 932 C ASN A 62 8.368 4.557 -49.813 1.00 0.56 C ATOM 933 O ASN A 62 8.306 3.888 -50.839 1.00 0.59 O ATOM 934 CB ASN A 62 10.759 5.068 -49.338 1.00 0.75 C ATOM 935 CG ASN A 62 11.857 6.108 -49.251 1.00 0.86 C ATOM 936 OD1 ASN A 62 12.210 6.567 -48.168 1.00 1.67 O ATOM 937 ND2 ASN A 62 12.378 6.505 -50.394 1.00 0.76 N ATOM 0 H ASN A 62 9.585 6.626 -47.810 1.00 0.51 H new ATOM 0 HA ASN A 62 9.463 6.221 -50.605 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.696 4.532 -48.391 1.00 0.75 H new ATOM 0 HB3 ASN A 62 11.019 4.335 -50.102 1.00 0.75 H new ATOM 0 HD21 ASN A 62 13.105 7.221 -50.402 1.00 0.76 H new ATOM 0 HD22 ASN A 62 12.055 6.096 -51.271 1.00 0.76 H new ATOM 944 N ASN A 63 7.561 4.370 -48.778 1.00 0.57 N ATOM 945 CA ASN A 63 6.559 3.302 -48.755 1.00 0.66 C ATOM 946 C ASN A 63 5.538 3.478 -49.882 1.00 0.67 C ATOM 947 O ASN A 63 4.922 2.516 -50.335 1.00 0.86 O ATOM 948 CB ASN A 63 5.846 3.279 -47.395 1.00 0.73 C ATOM 949 CG ASN A 63 4.864 2.127 -47.248 1.00 1.03 C ATOM 950 OD1 ASN A 63 5.047 1.052 -47.819 1.00 1.81 O ATOM 951 ND2 ASN A 63 3.816 2.341 -46.467 1.00 1.00 N ATOM 0 H ASN A 63 7.578 4.946 -47.936 1.00 0.57 H new ATOM 0 HA ASN A 63 7.071 2.352 -48.908 1.00 0.66 H new ATOM 0 HB2 ASN A 63 6.592 3.214 -46.603 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.314 4.220 -47.256 1.00 0.73 H new ATOM 0 HD21 ASN A 63 3.128 1.602 -46.323 1.00 1.00 H new ATOM 0 HD22 ASN A 63 3.697 3.245 -46.010 1.00 1.00 H new ATOM 958 N PHE A 64 5.383 4.707 -50.352 1.00 0.60 N ATOM 959 CA PHE A 64 4.376 5.006 -51.360 1.00 0.67 C ATOM 960 C PHE A 64 4.994 5.105 -52.758 1.00 0.60 C ATOM 961 O PHE A 64 4.276 5.218 -53.751 1.00 0.65 O ATOM 962 CB PHE A 64 3.654 6.310 -50.998 1.00 0.80 C ATOM 963 CG PHE A 64 2.422 6.580 -51.820 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.299 5.777 -51.689 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.388 7.630 -52.722 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.167 6.019 -52.441 1.00 2.66 C ATOM 967 CE2 PHE A 64 1.257 7.876 -53.478 1.00 2.95 C ATOM 968 CZ PHE A 64 0.145 7.069 -53.337 1.00 3.19 C ATOM 0 H PHE A 64 5.938 5.509 -50.054 1.00 0.60 H new ATOM 0 HA PHE A 64 3.656 4.188 -51.378 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.375 6.278 -49.945 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.348 7.142 -51.119 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.310 4.953 -50.991 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.255 8.264 -52.836 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.701 5.387 -52.328 1.00 2.66 H new ATOM 0 HE2 PHE A 64 1.243 8.698 -54.178 1.00 2.95 H new ATOM 0 HZ PHE A 64 -0.740 7.259 -53.926 1.00 3.19 H new ATOM 978 N GLU A 65 6.321 5.022 -52.853 1.00 0.58 N ATOM 979 CA GLU A 65 6.987 5.237 -54.140 1.00 0.61 C ATOM 980 C GLU A 65 6.865 4.013 -55.043 1.00 0.65 C ATOM 981 O GLU A 65 7.327 4.021 -56.184 1.00 0.75 O ATOM 982 CB GLU A 65 8.464 5.617 -53.964 1.00 0.71 C ATOM 983 CG GLU A 65 9.375 4.464 -53.573 1.00 0.87 C ATOM 984 CD GLU A 65 10.839 4.829 -53.692 1.00 1.55 C ATOM 985 OE1 GLU A 65 11.388 4.726 -54.807 1.00 2.14 O ATOM 986 OE2 GLU A 65 11.447 5.235 -52.676 1.00 2.11 O ATOM 0 H GLU A 65 6.945 4.812 -52.074 1.00 0.58 H new ATOM 0 HA GLU A 65 6.477 6.073 -54.619 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.827 6.049 -54.896 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.537 6.394 -53.203 1.00 0.71 H new ATOM 0 HG2 GLU A 65 9.159 4.164 -52.548 1.00 0.87 H new ATOM 0 HG3 GLU A 65 9.164 3.604 -54.208 1.00 0.87 H new ATOM 993 N ASP A 66 6.240 2.959 -54.536 1.00 0.69 N ATOM 994 CA ASP A 66 6.008 1.765 -55.337 1.00 0.84 C ATOM 995 C ASP A 66 4.635 1.843 -56.003 1.00 0.80 C ATOM 996 O ASP A 66 4.192 0.904 -56.663 1.00 0.93 O ATOM 997 CB ASP A 66 6.128 0.502 -54.480 1.00 1.00 C ATOM 998 CG ASP A 66 6.138 -0.763 -55.317 1.00 1.40 C ATOM 999 OD1 ASP A 66 7.081 -0.948 -56.115 1.00 2.03 O ATOM 1000 OD2 ASP A 66 5.197 -1.570 -55.199 1.00 1.94 O ATOM 0 H ASP A 66 5.887 2.906 -53.581 1.00 0.69 H new ATOM 0 HA ASP A 66 6.770 1.712 -56.114 1.00 0.84 H new ATOM 0 HB2 ASP A 66 7.043 0.552 -53.890 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.297 0.463 -53.776 1.00 1.00 H new ATOM 1005 N LYS A 67 3.974 2.989 -55.811 1.00 0.78 N ATOM 1006 CA LYS A 67 2.683 3.286 -56.438 1.00 0.88 C ATOM 1007 C LYS A 67 1.562 2.451 -55.812 1.00 0.78 C ATOM 1008 O LYS A 67 0.460 2.358 -56.357 1.00 0.86 O ATOM 1009 CB LYS A 67 2.755 3.042 -57.955 1.00 1.17 C ATOM 1010 CG LYS A 67 1.607 3.657 -58.745 1.00 1.67 C ATOM 1011 CD LYS A 67 1.586 3.158 -60.182 1.00 2.00 C ATOM 1012 CE LYS A 67 2.890 3.457 -60.904 1.00 2.46 C ATOM 1013 NZ LYS A 67 2.871 2.966 -62.305 1.00 3.31 N ATOM 0 H LYS A 67 4.321 3.739 -55.214 1.00 0.78 H new ATOM 0 HA LYS A 67 2.456 4.338 -56.264 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.696 3.444 -58.331 1.00 1.17 H new ATOM 0 HB3 LYS A 67 2.772 1.968 -58.138 1.00 1.17 H new ATOM 0 HG2 LYS A 67 0.661 3.415 -58.261 1.00 1.67 H new ATOM 0 HG3 LYS A 67 1.700 4.743 -58.738 1.00 1.67 H new ATOM 0 HD2 LYS A 67 1.404 2.083 -60.191 1.00 2.00 H new ATOM 0 HD3 LYS A 67 0.759 3.625 -60.717 1.00 2.00 H new ATOM 0 HE2 LYS A 67 3.070 4.532 -60.898 1.00 2.46 H new ATOM 0 HE3 LYS A 67 3.717 2.992 -60.367 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 3.778 3.189 -62.763 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 2.724 1.936 -62.310 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 2.098 3.428 -62.824 1.00 3.31 H new ATOM 1027 N LYS A 68 1.835 1.863 -54.655 1.00 0.83 N ATOM 1028 CA LYS A 68 0.844 1.041 -53.973 1.00 0.90 C ATOM 1029 C LYS A 68 -0.207 1.909 -53.288 1.00 0.82 C ATOM 1030 O LYS A 68 -0.062 2.288 -52.126 1.00 0.87 O ATOM 1031 CB LYS A 68 1.519 0.117 -52.955 1.00 1.16 C ATOM 1032 CG LYS A 68 2.267 -1.042 -53.592 1.00 1.35 C ATOM 1033 CD LYS A 68 1.314 -1.973 -54.321 1.00 1.37 C ATOM 1034 CE LYS A 68 2.044 -3.131 -54.980 1.00 1.55 C ATOM 1035 NZ LYS A 68 2.996 -2.671 -56.022 1.00 1.99 N ATOM 0 H LYS A 68 2.730 1.939 -54.171 1.00 0.83 H new ATOM 0 HA LYS A 68 0.343 0.427 -54.721 1.00 0.90 H new ATOM 0 HB2 LYS A 68 2.215 0.700 -52.352 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.762 -0.278 -52.277 1.00 1.16 H new ATOM 0 HG2 LYS A 68 3.011 -0.659 -54.290 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.806 -1.597 -52.824 1.00 1.35 H new ATOM 0 HD2 LYS A 68 0.578 -2.362 -53.618 1.00 1.37 H new ATOM 0 HD3 LYS A 68 0.766 -1.411 -55.078 1.00 1.37 H new ATOM 0 HE2 LYS A 68 2.584 -3.697 -54.221 1.00 1.55 H new ATOM 0 HE3 LYS A 68 1.318 -3.809 -55.427 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 3.109 -3.414 -56.741 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 2.629 -1.808 -56.471 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 3.918 -2.469 -55.585 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.263 2.218 -54.025 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.358 3.023 -53.507 1.00 0.91 C ATOM 1051 C LEU A 69 -3.198 2.196 -52.541 1.00 0.85 C ATOM 1052 O LEU A 69 -3.468 2.621 -51.416 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.215 3.557 -54.672 1.00 1.16 C ATOM 1054 CG LEU A 69 -4.221 4.677 -54.339 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.435 4.143 -53.593 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -3.547 5.782 -53.535 1.00 2.33 C ATOM 0 H LEU A 69 -1.385 1.920 -54.993 1.00 0.84 H new ATOM 0 HA LEU A 69 -1.955 3.877 -52.963 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -2.543 3.924 -55.448 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.768 2.720 -55.099 1.00 1.16 H new ATOM 0 HG LEU A 69 -4.571 5.092 -55.284 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.119 4.963 -53.377 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -5.942 3.400 -54.208 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.114 3.683 -52.658 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -4.273 6.563 -53.310 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -3.158 5.369 -52.604 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -2.727 6.205 -54.115 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.588 1.005 -52.978 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.471 0.156 -52.187 1.00 0.91 C ATOM 1070 C LEU A 70 -3.773 -0.342 -50.924 1.00 0.79 C ATOM 1071 O LEU A 70 -4.401 -0.479 -49.873 1.00 0.80 O ATOM 1072 CB LEU A 70 -5.063 -1.010 -53.028 1.00 1.06 C ATOM 1073 CG LEU A 70 -4.129 -2.148 -53.525 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -2.883 -1.622 -54.222 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.762 -3.107 -52.399 1.00 1.07 C ATOM 0 H LEU A 70 -3.308 0.606 -53.874 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.316 0.768 -51.870 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.853 -1.472 -52.435 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.538 -0.571 -53.905 1.00 1.06 H new ATOM 0 HG LEU A 70 -4.698 -2.705 -54.270 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -2.267 -2.460 -54.548 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.174 -1.027 -55.088 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.314 -1.001 -53.530 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -3.108 -3.889 -52.786 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.247 -2.561 -51.609 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -4.668 -3.559 -51.996 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.472 -0.591 -51.021 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.716 -1.099 -49.886 1.00 0.70 C ATOM 1089 C ASP A 71 -1.504 0.011 -48.867 1.00 0.63 C ATOM 1090 O ASP A 71 -1.554 -0.212 -47.661 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.384 -1.689 -50.342 1.00 0.77 C ATOM 1092 CG ASP A 71 0.201 -2.636 -49.313 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.351 -3.745 -49.138 1.00 1.58 O ATOM 1094 OD2 ASP A 71 1.221 -2.286 -48.684 1.00 2.08 O ATOM 0 H ASP A 71 -1.923 -0.450 -51.869 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.285 -1.899 -49.413 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -0.526 -2.220 -51.283 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.323 -0.882 -50.535 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.289 1.217 -49.367 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.220 2.395 -48.517 1.00 0.74 C ATOM 1101 C ARG A 72 -2.564 2.622 -47.828 1.00 0.67 C ATOM 1102 O ARG A 72 -2.620 2.925 -46.638 1.00 0.68 O ATOM 1103 CB ARG A 72 -0.802 3.617 -49.356 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.053 4.973 -48.706 1.00 1.31 C ATOM 1105 CD ARG A 72 -2.385 5.562 -49.155 1.00 1.53 C ATOM 1106 NE ARG A 72 -2.587 6.927 -48.663 1.00 1.92 N ATOM 1107 CZ ARG A 72 -3.482 7.777 -49.175 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -4.268 7.401 -50.175 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -3.600 9.004 -48.683 1.00 2.93 N ATOM 0 H ARG A 72 -1.159 1.406 -50.361 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.469 2.244 -47.741 1.00 0.74 H new ATOM 0 HB2 ARG A 72 0.261 3.534 -49.584 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -1.336 3.584 -50.306 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -1.047 4.866 -47.621 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -0.245 5.658 -48.963 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -2.431 5.561 -50.244 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -3.197 4.927 -48.801 1.00 1.53 H new ATOM 0 HE ARG A 72 -2.011 7.247 -47.884 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -4.191 6.459 -50.557 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -4.949 8.054 -50.562 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -3.006 9.303 -47.910 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -4.285 9.648 -49.078 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.645 2.445 -48.582 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.994 2.650 -48.064 1.00 0.71 C ATOM 1125 C HIS A 73 -5.307 1.667 -46.935 1.00 0.62 C ATOM 1126 O HIS A 73 -5.818 2.060 -45.888 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.024 2.505 -49.193 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.437 2.808 -48.780 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.034 4.033 -48.980 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.377 2.031 -48.184 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.273 3.998 -48.528 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.505 2.797 -48.041 1.00 1.15 N ATOM 0 H HIS A 73 -3.612 2.158 -49.560 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.050 3.660 -47.659 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.746 3.170 -50.011 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.981 1.487 -49.581 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.258 1.002 -47.879 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -9.978 4.816 -48.553 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.383 2.486 -47.624 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.998 0.393 -47.156 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.293 -0.648 -46.173 1.00 0.59 C ATOM 1143 C ARG A 74 -4.462 -0.453 -44.903 1.00 0.51 C ATOM 1144 O ARG A 74 -4.942 -0.705 -43.796 1.00 0.52 O ATOM 1145 CB ARG A 74 -5.052 -2.040 -46.770 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.610 -2.292 -47.170 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.462 -3.543 -48.015 1.00 0.86 C ATOM 1148 NE ARG A 74 -3.770 -4.760 -47.274 1.00 0.88 N ATOM 1149 CZ ARG A 74 -2.996 -5.843 -47.289 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -1.824 -5.816 -47.915 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -3.386 -6.949 -46.667 1.00 1.32 N ATOM 0 H ARG A 74 -4.544 0.055 -48.005 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.346 -0.569 -45.902 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.355 -2.794 -46.044 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.690 -2.165 -47.645 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.233 -1.433 -47.726 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.997 -2.386 -46.274 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -4.121 -3.472 -48.880 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.442 -3.602 -48.395 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.623 -4.783 -46.715 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -1.516 -4.965 -48.385 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -1.232 -6.647 -47.926 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.280 -6.970 -46.177 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -2.792 -7.778 -46.680 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.224 0.012 -45.061 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.375 0.309 -43.913 1.00 0.46 C ATOM 1167 C LEU A 75 -2.953 1.470 -43.117 1.00 0.42 C ATOM 1168 O LEU A 75 -3.090 1.388 -41.896 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.946 0.635 -44.354 1.00 0.51 C ATOM 1170 CG LEU A 75 -0.154 -0.546 -44.922 1.00 0.79 C ATOM 1171 CD1 LEU A 75 1.229 -0.094 -45.367 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.044 -1.660 -43.891 1.00 1.36 C ATOM 0 H LEU A 75 -2.790 0.190 -45.967 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.342 -0.577 -43.279 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.986 1.421 -45.108 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.402 1.039 -43.500 1.00 0.51 H new ATOM 0 HG LEU A 75 -0.687 -0.932 -45.791 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.779 -0.946 -45.768 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.131 0.671 -46.138 1.00 1.48 H new ATOM 0 HD13 LEU A 75 1.769 0.317 -44.514 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.522 -2.491 -44.312 1.00 1.36 H new ATOM 0 HD22 LEU A 75 0.467 -1.286 -43.004 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -1.042 -2.002 -43.617 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.309 2.541 -43.820 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.929 3.700 -43.193 1.00 0.50 C ATOM 1186 C VAL A 76 -5.199 3.296 -42.451 1.00 0.48 C ATOM 1187 O VAL A 76 -5.435 3.735 -41.333 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.254 4.803 -44.229 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -5.088 5.914 -43.607 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.972 5.378 -44.809 1.00 0.82 C ATOM 0 H VAL A 76 -3.177 2.629 -44.828 1.00 0.45 H new ATOM 0 HA VAL A 76 -3.211 4.105 -42.479 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.836 4.348 -45.031 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -5.300 6.674 -44.359 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -6.025 5.500 -43.234 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.537 6.364 -42.782 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -3.217 6.152 -45.536 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.372 5.809 -44.008 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.407 4.585 -45.300 1.00 0.82 H new ATOM 1200 N ASN A 77 -6.003 2.438 -43.062 1.00 0.48 N ATOM 1201 CA ASN A 77 -7.234 1.979 -42.427 1.00 0.53 C ATOM 1202 C ASN A 77 -6.946 1.165 -41.170 1.00 0.49 C ATOM 1203 O ASN A 77 -7.592 1.355 -40.145 1.00 0.54 O ATOM 1204 CB ASN A 77 -8.082 1.155 -43.400 1.00 0.61 C ATOM 1205 CG ASN A 77 -9.006 2.013 -44.244 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -10.077 1.570 -44.653 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.601 3.247 -44.512 1.00 0.92 N ATOM 0 H ASN A 77 -5.829 2.047 -43.988 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.796 2.867 -42.138 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.424 0.584 -44.055 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.675 0.434 -42.838 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.185 3.864 -45.076 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.705 3.579 -44.154 1.00 0.92 H new ATOM 1214 N THR A 78 -5.960 0.283 -41.243 1.00 0.45 N ATOM 1215 CA THR A 78 -5.637 -0.597 -40.126 1.00 0.50 C ATOM 1216 C THR A 78 -5.112 0.196 -38.925 1.00 0.46 C ATOM 1217 O THR A 78 -5.579 0.024 -37.796 1.00 0.50 O ATOM 1218 CB THR A 78 -4.598 -1.657 -40.542 1.00 0.57 C ATOM 1219 OG1 THR A 78 -5.079 -2.387 -41.679 1.00 0.62 O ATOM 1220 CG2 THR A 78 -4.314 -2.624 -39.404 1.00 0.69 C ATOM 0 H THR A 78 -5.368 0.157 -42.064 1.00 0.45 H new ATOM 0 HA THR A 78 -6.559 -1.100 -39.834 1.00 0.50 H new ATOM 0 HB THR A 78 -3.672 -1.142 -40.796 1.00 0.57 H new ATOM 0 HG1 THR A 78 -5.064 -1.808 -42.470 1.00 0.62 H new ATOM 0 HG21 THR A 78 -3.578 -3.360 -39.727 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.925 -2.074 -38.547 1.00 0.69 H new ATOM 0 HG23 THR A 78 -5.235 -3.133 -39.120 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.153 1.075 -39.181 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.533 1.875 -38.130 1.00 0.45 C ATOM 1230 C ILE A 79 -4.495 2.951 -37.632 1.00 0.45 C ATOM 1231 O ILE A 79 -4.795 3.054 -36.432 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.248 2.555 -38.656 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.308 1.509 -39.259 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.545 3.330 -37.543 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.265 2.097 -40.182 1.00 0.77 C ATOM 0 H ILE A 79 -3.784 1.254 -40.115 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.282 1.206 -37.307 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.529 3.265 -39.434 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -0.807 0.974 -38.452 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.898 0.776 -39.810 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.644 3.799 -37.939 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.214 4.099 -37.156 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.274 2.646 -36.738 1.00 0.59 H new ATOM 0 HD11 ILE A 79 0.366 1.299 -40.573 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -0.758 2.608 -41.009 1.00 0.77 H new ATOM 0 HD13 ILE A 79 0.350 2.808 -39.630 1.00 0.77 H new ATOM 1247 N LEU A 80 -5.006 3.727 -38.572 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.802 4.887 -38.241 1.00 0.52 C ATOM 1249 C LEU A 80 -7.230 4.513 -37.884 1.00 0.56 C ATOM 1250 O LEU A 80 -8.024 5.386 -37.564 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.780 5.928 -39.368 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.480 6.744 -39.495 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.331 5.888 -40.009 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.698 7.940 -40.404 1.00 0.71 C ATOM 0 H LEU A 80 -4.881 3.571 -39.572 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.347 5.336 -37.358 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.961 5.417 -40.314 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.609 6.620 -39.216 1.00 0.56 H new ATOM 0 HG LEU A 80 -4.209 7.098 -38.501 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.430 6.497 -40.086 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -3.154 5.064 -39.318 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.585 5.490 -40.991 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.772 8.509 -40.486 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -5.000 7.595 -41.393 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.479 8.576 -39.987 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.564 3.225 -37.923 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.871 2.785 -37.448 1.00 0.68 C ATOM 1268 C LYS A 81 -9.096 3.286 -36.026 1.00 0.68 C ATOM 1269 O LYS A 81 -9.989 4.095 -35.776 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.966 1.254 -37.485 1.00 0.77 C ATOM 1271 CG LYS A 81 -10.208 0.688 -36.811 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.492 1.169 -37.470 1.00 0.99 C ATOM 1273 CE LYS A 81 -11.625 0.658 -38.896 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.954 0.993 -39.470 1.00 1.93 N ATOM 0 H LYS A 81 -6.960 2.481 -38.272 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.640 3.197 -38.101 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.949 0.925 -38.524 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -8.082 0.835 -37.004 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -10.172 -0.401 -36.843 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -10.212 0.976 -35.760 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -12.348 0.835 -36.884 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.513 2.259 -37.472 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -10.840 1.093 -39.515 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -11.482 -0.422 -38.912 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.013 0.631 -40.443 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.701 0.558 -38.893 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.079 2.025 -39.477 1.00 1.93 H new ATOM 1288 N GLU A 82 -8.272 2.813 -35.105 1.00 0.69 N ATOM 1289 CA GLU A 82 -8.293 3.314 -33.742 1.00 0.73 C ATOM 1290 C GLU A 82 -7.628 4.685 -33.656 1.00 0.67 C ATOM 1291 O GLU A 82 -8.018 5.518 -32.841 1.00 0.68 O ATOM 1292 CB GLU A 82 -7.626 2.328 -32.786 1.00 0.90 C ATOM 1293 CG GLU A 82 -7.721 2.751 -31.331 1.00 1.53 C ATOM 1294 CD GLU A 82 -7.153 1.722 -30.386 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -5.917 1.675 -30.226 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -7.938 0.956 -29.791 1.00 2.91 O ATOM 0 H GLU A 82 -7.581 2.083 -35.277 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.335 3.423 -33.441 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -8.088 1.348 -32.904 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -6.576 2.220 -33.059 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.191 3.694 -31.196 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -8.765 2.933 -31.078 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.612 4.912 -34.490 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.868 6.166 -34.471 1.00 0.64 C ATOM 1305 C GLU A 83 -6.797 7.376 -34.582 1.00 0.55 C ATOM 1306 O GLU A 83 -6.747 8.289 -33.753 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.897 6.186 -35.629 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.863 7.263 -35.529 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.658 6.797 -34.742 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -2.848 6.144 -33.688 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -1.527 7.045 -35.198 1.00 1.66 O ATOM 0 H GLU A 83 -6.288 4.241 -35.187 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.338 6.228 -33.521 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.397 5.219 -35.689 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.454 6.315 -36.557 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.552 7.565 -36.529 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.295 8.142 -35.050 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.642 7.356 -35.608 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.610 8.425 -35.866 1.00 0.48 C ATOM 1320 C LEU A 84 -9.433 8.775 -34.633 1.00 0.52 C ATOM 1321 O LEU A 84 -9.864 9.913 -34.491 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.561 8.064 -37.012 1.00 0.50 C ATOM 1323 CG LEU A 84 -8.920 7.940 -38.397 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -9.983 7.673 -39.448 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.127 9.191 -38.745 1.00 0.51 C ATOM 0 H LEU A 84 -7.677 6.597 -36.288 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.018 9.296 -36.147 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.047 7.118 -36.771 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.344 8.821 -37.061 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.228 7.098 -38.378 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.513 7.587 -40.428 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.503 6.744 -39.212 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.698 8.496 -39.460 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.682 9.077 -39.734 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -8.791 10.055 -38.744 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.338 9.339 -38.007 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.681 7.800 -33.760 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.516 8.029 -32.577 1.00 0.67 C ATOM 1339 C GLN A 85 -9.946 9.157 -31.710 1.00 0.70 C ATOM 1340 O GLN A 85 -10.669 9.782 -30.937 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.650 6.759 -31.721 1.00 0.75 C ATOM 1342 CG GLN A 85 -11.035 5.493 -32.479 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.186 5.681 -33.446 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.355 5.581 -33.072 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.857 5.894 -34.709 1.00 0.72 N ATOM 0 H GLN A 85 -9.320 6.850 -33.846 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.503 8.314 -32.942 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.702 6.583 -31.213 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -11.397 6.940 -30.948 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -10.166 5.133 -33.030 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -11.300 4.718 -31.760 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.875 5.970 -34.974 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.585 5.982 -35.418 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.650 9.421 -31.853 1.00 0.64 N ATOM 1355 CA ASN A 86 -7.979 10.451 -31.061 1.00 0.71 C ATOM 1356 C ASN A 86 -8.023 11.803 -31.765 1.00 0.67 C ATOM 1357 O ASN A 86 -7.625 12.821 -31.200 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.517 10.068 -30.802 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.367 8.736 -30.093 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.374 8.668 -28.865 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.209 7.669 -30.864 1.00 0.87 N ATOM 0 H ASN A 86 -8.041 8.935 -32.511 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.509 10.528 -30.112 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -5.984 10.029 -31.752 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.044 10.847 -30.203 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -6.087 6.748 -30.442 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.209 7.769 -31.879 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.508 11.812 -33.000 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.487 13.018 -33.817 1.00 0.62 C ATOM 1370 C ILE A 87 -9.892 13.368 -34.287 1.00 0.67 C ATOM 1371 O ILE A 87 -10.640 12.500 -34.735 1.00 0.77 O ATOM 1372 CB ILE A 87 -7.579 12.840 -35.056 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.301 12.089 -34.675 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.240 14.195 -35.662 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.338 11.897 -35.823 1.00 0.59 C ATOM 0 H ILE A 87 -8.920 10.999 -33.457 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.092 13.823 -33.197 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.116 12.253 -35.801 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -5.796 12.633 -33.877 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -6.571 11.112 -34.273 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -6.600 14.054 -36.533 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.158 14.699 -35.964 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -6.718 14.804 -34.923 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.458 11.357 -35.473 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -5.824 11.325 -36.614 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.036 12.870 -36.211 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.249 14.640 -34.198 1.00 0.71 N ATOM 1388 CA HIS A 88 -11.571 15.083 -34.617 1.00 0.80 C ATOM 1389 C HIS A 88 -11.687 14.980 -36.135 1.00 0.76 C ATOM 1390 O HIS A 88 -12.669 14.456 -36.660 1.00 0.89 O ATOM 1391 CB HIS A 88 -11.828 16.526 -34.155 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.272 16.942 -34.194 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -13.842 17.757 -33.238 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.257 16.668 -35.083 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -15.110 17.963 -33.537 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.385 17.313 -34.651 1.00 1.85 N ATOM 0 H HIS A 88 -9.646 15.381 -33.841 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.323 14.442 -34.157 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -11.457 16.640 -33.136 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.250 17.204 -34.783 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -14.169 16.055 -35.968 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -15.805 18.562 -32.967 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.293 17.294 -35.116 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.672 15.468 -36.835 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.645 15.394 -38.289 1.00 0.68 C ATOM 1407 C ALA A 89 -9.212 15.355 -38.806 1.00 0.62 C ATOM 1408 O ALA A 89 -8.529 16.376 -38.847 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.402 16.566 -38.896 1.00 0.78 C ATOM 0 H ALA A 89 -9.857 15.919 -36.420 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.138 14.470 -38.591 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.372 16.495 -39.983 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.439 16.543 -38.560 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -10.939 17.501 -38.581 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.749 14.168 -39.166 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.404 14.007 -39.700 1.00 0.47 C ATOM 1417 C PHE A 90 -7.434 13.831 -41.217 1.00 0.48 C ATOM 1418 O PHE A 90 -8.309 13.154 -41.759 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.726 12.802 -39.041 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.291 12.607 -39.444 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.296 13.421 -38.928 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.937 11.601 -40.328 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -2.975 13.234 -39.286 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.618 11.411 -40.691 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.636 12.228 -40.169 1.00 0.49 C ATOM 0 H PHE A 90 -9.284 13.302 -39.098 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.834 14.909 -39.477 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.775 12.919 -37.958 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.288 11.902 -39.291 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.556 14.210 -38.238 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.701 10.958 -40.738 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.208 13.874 -38.876 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.355 10.624 -41.382 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.604 12.081 -40.451 1.00 0.49 H new ATOM 1435 N SER A 91 -6.489 14.467 -41.892 1.00 0.44 N ATOM 1436 CA SER A 91 -6.311 14.306 -43.326 1.00 0.48 C ATOM 1437 C SER A 91 -4.827 14.132 -43.634 1.00 0.45 C ATOM 1438 O SER A 91 -3.979 14.656 -42.911 1.00 0.52 O ATOM 1439 CB SER A 91 -6.870 15.523 -44.065 1.00 0.56 C ATOM 1440 OG SER A 91 -8.215 15.765 -43.692 1.00 1.27 O ATOM 0 H SER A 91 -5.824 15.109 -41.461 1.00 0.44 H new ATOM 0 HA SER A 91 -6.852 13.422 -43.662 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.263 16.400 -43.842 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.810 15.360 -45.141 1.00 0.56 H new ATOM 0 HG SER A 91 -8.553 16.548 -44.175 1.00 1.27 H new ATOM 1446 N MET A 92 -4.507 13.392 -44.686 1.00 0.48 N ATOM 1447 CA MET A 92 -3.113 13.155 -45.031 1.00 0.48 C ATOM 1448 C MET A 92 -2.877 13.346 -46.526 1.00 0.53 C ATOM 1449 O MET A 92 -3.652 12.871 -47.359 1.00 0.62 O ATOM 1450 CB MET A 92 -2.661 11.751 -44.585 1.00 0.52 C ATOM 1451 CG MET A 92 -3.175 10.601 -45.447 1.00 0.61 C ATOM 1452 SD MET A 92 -4.967 10.387 -45.380 1.00 0.64 S ATOM 1453 CE MET A 92 -5.194 9.916 -43.666 1.00 0.64 C ATOM 0 H MET A 92 -5.184 12.950 -45.308 1.00 0.48 H new ATOM 0 HA MET A 92 -2.512 13.890 -44.496 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.571 11.722 -44.580 1.00 0.52 H new ATOM 0 HB3 MET A 92 -2.989 11.590 -43.558 1.00 0.52 H new ATOM 0 HG2 MET A 92 -2.877 10.773 -46.481 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.695 9.676 -45.127 1.00 0.61 H new ATOM 0 HE1 MET A 92 -5.984 9.168 -43.596 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.265 9.500 -43.277 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.471 10.793 -43.081 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.813 14.057 -46.854 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.435 14.285 -48.237 1.00 0.59 C ATOM 1465 C LYS A 93 -0.214 13.442 -48.572 1.00 0.49 C ATOM 1466 O LYS A 93 0.851 13.624 -47.985 1.00 0.42 O ATOM 1467 CB LYS A 93 -1.131 15.768 -48.473 1.00 0.70 C ATOM 1468 CG LYS A 93 -2.280 16.696 -48.115 1.00 1.14 C ATOM 1469 CD LYS A 93 -3.528 16.383 -48.924 1.00 1.44 C ATOM 1470 CE LYS A 93 -4.662 17.342 -48.592 1.00 1.93 C ATOM 1471 NZ LYS A 93 -5.893 17.021 -49.357 1.00 2.23 N ATOM 0 H LYS A 93 -1.190 14.491 -46.173 1.00 0.52 H new ATOM 0 HA LYS A 93 -2.264 13.998 -48.884 1.00 0.59 H new ATOM 0 HB2 LYS A 93 -0.255 16.047 -47.887 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -0.872 15.914 -49.522 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -2.503 16.606 -47.052 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -1.982 17.729 -48.291 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -3.298 16.444 -49.988 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -3.845 15.359 -48.724 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -4.875 17.298 -47.524 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -4.352 18.363 -48.813 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -6.644 17.695 -49.105 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -5.696 17.087 -50.376 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -6.203 16.055 -49.127 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.373 12.515 -49.501 1.00 0.56 N ATOM 1486 CA CYS A 94 0.693 11.586 -49.838 1.00 0.54 C ATOM 1487 C CYS A 94 1.672 12.193 -50.838 1.00 0.52 C ATOM 1488 O CYS A 94 1.271 12.737 -51.870 1.00 0.64 O ATOM 1489 CB CYS A 94 0.097 10.291 -50.392 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.133 10.546 -51.693 1.00 1.38 S ATOM 0 H CYS A 94 -1.231 12.385 -50.036 1.00 0.56 H new ATOM 0 HA CYS A 94 1.250 11.366 -48.928 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.903 9.671 -50.784 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.363 9.736 -49.575 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.579 9.395 -52.101 1.00 1.38 H new ATOM 1496 N HIS A 95 2.954 12.112 -50.512 1.00 0.44 N ATOM 1497 CA HIS A 95 4.007 12.569 -51.401 1.00 0.50 C ATOM 1498 C HIS A 95 5.227 11.665 -51.259 1.00 0.44 C ATOM 1499 O HIS A 95 5.388 10.975 -50.248 1.00 0.44 O ATOM 1500 CB HIS A 95 4.382 14.024 -51.098 1.00 0.62 C ATOM 1501 CG HIS A 95 4.216 14.945 -52.270 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.162 15.821 -52.396 1.00 1.36 N ATOM 1503 CD2 HIS A 95 4.983 15.127 -53.373 1.00 1.84 C ATOM 1504 CE1 HIS A 95 3.286 16.499 -53.521 1.00 1.65 C ATOM 1505 NE2 HIS A 95 4.382 16.098 -54.136 1.00 1.98 N ATOM 0 H HIS A 95 3.290 11.729 -49.628 1.00 0.44 H new ATOM 0 HA HIS A 95 3.644 12.522 -52.428 1.00 0.50 H new ATOM 0 HB2 HIS A 95 3.767 14.385 -50.274 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.418 14.061 -50.762 1.00 0.62 H new ATOM 0 HD2 HIS A 95 5.898 14.604 -53.608 1.00 1.84 H new ATOM 0 HE1 HIS A 95 2.604 17.256 -53.879 1.00 1.65 H new ATOM 0 HE2 HIS A 95 4.726 16.450 -55.029 1.00 1.98 H new ATOM 1514 N THR A 96 6.072 11.657 -52.271 1.00 0.46 N ATOM 1515 CA THR A 96 7.251 10.813 -52.264 1.00 0.49 C ATOM 1516 C THR A 96 8.535 11.639 -52.174 1.00 0.46 C ATOM 1517 O THR A 96 8.562 12.810 -52.565 1.00 0.47 O ATOM 1518 CB THR A 96 7.268 9.912 -53.510 1.00 0.58 C ATOM 1519 OG1 THR A 96 6.559 10.549 -54.578 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.625 8.569 -53.204 1.00 0.65 C ATOM 0 H THR A 96 5.964 12.227 -53.110 1.00 0.46 H new ATOM 0 HA THR A 96 7.207 10.183 -51.376 1.00 0.49 H new ATOM 0 HB THR A 96 8.304 9.748 -53.806 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.176 10.730 -55.318 1.00 0.76 H new ATOM 0 HG21 THR A 96 6.646 7.944 -54.097 1.00 0.65 H new ATOM 0 HG22 THR A 96 7.176 8.076 -52.403 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.592 8.723 -52.892 1.00 0.65 H new ATOM 1528 N PRO A 97 9.613 11.038 -51.632 1.00 0.47 N ATOM 1529 CA PRO A 97 10.889 11.730 -51.407 1.00 0.48 C ATOM 1530 C PRO A 97 11.524 12.227 -52.698 1.00 0.52 C ATOM 1531 O PRO A 97 12.270 13.207 -52.693 1.00 0.54 O ATOM 1532 CB PRO A 97 11.781 10.666 -50.757 1.00 0.53 C ATOM 1533 CG PRO A 97 10.844 9.624 -50.253 1.00 0.72 C ATOM 1534 CD PRO A 97 9.672 9.637 -51.190 1.00 0.51 C ATOM 0 HA PRO A 97 10.751 12.621 -50.794 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.484 10.248 -51.478 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.372 11.090 -49.945 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.321 8.644 -50.238 1.00 0.72 H new ATOM 0 HG3 PRO A 97 10.530 9.842 -49.232 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.819 8.956 -52.028 1.00 0.51 H new ATOM 0 HD3 PRO A 97 8.753 9.333 -50.690 1.00 0.51 H new ATOM 1542 N LEU A 98 11.216 11.554 -53.800 1.00 0.60 N ATOM 1543 CA LEU A 98 11.776 11.913 -55.094 1.00 0.71 C ATOM 1544 C LEU A 98 11.332 13.325 -55.476 1.00 0.66 C ATOM 1545 O LEU A 98 12.157 14.181 -55.788 1.00 0.71 O ATOM 1546 CB LEU A 98 11.338 10.890 -56.155 1.00 0.88 C ATOM 1547 CG LEU A 98 12.235 10.777 -57.400 1.00 1.34 C ATOM 1548 CD1 LEU A 98 12.120 12.011 -58.284 1.00 2.08 C ATOM 1549 CD2 LEU A 98 13.681 10.550 -56.990 1.00 1.78 C ATOM 0 H LEU A 98 10.581 10.756 -53.822 1.00 0.60 H new ATOM 0 HA LEU A 98 12.864 11.900 -55.037 1.00 0.71 H new ATOM 0 HB2 LEU A 98 11.282 9.909 -55.683 1.00 0.88 H new ATOM 0 HB3 LEU A 98 10.330 11.145 -56.481 1.00 0.88 H new ATOM 0 HG LEU A 98 11.894 9.920 -57.981 1.00 1.34 H new ATOM 0 HD11 LEU A 98 12.767 11.897 -59.154 1.00 2.08 H new ATOM 0 HD12 LEU A 98 11.087 12.128 -58.613 1.00 2.08 H new ATOM 0 HD13 LEU A 98 12.423 12.893 -57.719 1.00 2.08 H new ATOM 0 HD21 LEU A 98 14.304 10.472 -57.881 1.00 1.78 H new ATOM 0 HD22 LEU A 98 14.022 11.387 -56.381 1.00 1.78 H new ATOM 0 HD23 LEU A 98 13.755 9.628 -56.414 1.00 1.78 H new ATOM 1561 N GLU A 99 10.032 13.571 -55.411 1.00 0.65 N ATOM 1562 CA GLU A 99 9.493 14.893 -55.691 1.00 0.72 C ATOM 1563 C GLU A 99 9.931 15.896 -54.633 1.00 0.64 C ATOM 1564 O GLU A 99 10.248 17.040 -54.950 1.00 0.71 O ATOM 1565 CB GLU A 99 7.964 14.854 -55.780 1.00 0.88 C ATOM 1566 CG GLU A 99 7.444 14.124 -57.009 1.00 1.19 C ATOM 1567 CD GLU A 99 7.164 12.657 -56.754 1.00 1.91 C ATOM 1568 OE1 GLU A 99 8.027 11.968 -56.170 1.00 2.44 O ATOM 1569 OE2 GLU A 99 6.060 12.198 -57.120 1.00 2.69 O ATOM 0 H GLU A 99 9.331 12.872 -55.167 1.00 0.65 H new ATOM 0 HA GLU A 99 9.888 15.213 -56.655 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.569 14.371 -54.886 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.583 15.875 -55.786 1.00 0.88 H new ATOM 0 HG2 GLU A 99 6.530 14.608 -57.352 1.00 1.19 H new ATOM 0 HG3 GLU A 99 8.174 14.214 -57.814 1.00 1.19 H new ATOM 1576 N TYR A 100 9.967 15.459 -53.377 1.00 0.57 N ATOM 1577 CA TYR A 100 10.367 16.337 -52.281 1.00 0.63 C ATOM 1578 C TYR A 100 11.781 16.867 -52.492 1.00 0.66 C ATOM 1579 O TYR A 100 12.061 18.036 -52.222 1.00 0.76 O ATOM 1580 CB TYR A 100 10.286 15.615 -50.935 1.00 0.67 C ATOM 1581 CG TYR A 100 10.689 16.495 -49.770 1.00 0.85 C ATOM 1582 CD1 TYR A 100 9.782 17.380 -49.203 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.977 16.451 -49.247 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.145 18.194 -48.147 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.348 17.262 -48.192 1.00 1.15 C ATOM 1586 CZ TYR A 100 11.427 18.133 -47.645 1.00 1.24 C ATOM 1587 OH TYR A 100 11.788 18.939 -46.590 1.00 1.46 O ATOM 0 H TYR A 100 9.726 14.509 -53.094 1.00 0.57 H new ATOM 0 HA TYR A 100 9.672 17.177 -52.271 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.267 15.259 -50.780 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.930 14.736 -50.960 1.00 0.67 H new ATOM 0 HD1 TYR A 100 8.776 17.433 -49.594 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.700 15.771 -49.673 1.00 0.96 H new ATOM 0 HE1 TYR A 100 9.426 18.876 -47.717 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.352 17.215 -47.798 1.00 1.15 H new ATOM 0 HH TYR A 100 12.725 18.772 -46.357 1.00 1.46 H new ATOM 1597 N ASP A 101 12.664 16.004 -52.982 1.00 0.66 N ATOM 1598 CA ASP A 101 14.046 16.388 -53.246 1.00 0.78 C ATOM 1599 C ASP A 101 14.099 17.548 -54.233 1.00 0.81 C ATOM 1600 O ASP A 101 14.950 18.425 -54.128 1.00 0.93 O ATOM 1601 CB ASP A 101 14.842 15.197 -53.786 1.00 0.88 C ATOM 1602 CG ASP A 101 16.303 15.531 -54.026 1.00 1.07 C ATOM 1603 OD1 ASP A 101 17.095 15.479 -53.064 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.670 15.834 -55.181 1.00 1.14 O ATOM 0 H ASP A 101 12.447 15.033 -53.205 1.00 0.66 H new ATOM 0 HA ASP A 101 14.496 16.709 -52.307 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.774 14.369 -53.080 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.393 14.858 -54.719 1.00 0.88 H new ATOM 1609 N LYS A 102 13.164 17.565 -55.174 1.00 0.75 N ATOM 1610 CA LYS A 102 13.090 18.638 -56.153 1.00 0.84 C ATOM 1611 C LYS A 102 12.490 19.895 -55.526 1.00 0.89 C ATOM 1612 O LYS A 102 12.898 21.014 -55.843 1.00 1.05 O ATOM 1613 CB LYS A 102 12.261 18.216 -57.376 1.00 0.88 C ATOM 1614 CG LYS A 102 13.054 17.527 -58.490 1.00 1.03 C ATOM 1615 CD LYS A 102 13.204 16.022 -58.287 1.00 1.09 C ATOM 1616 CE LYS A 102 14.273 15.672 -57.263 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.632 16.097 -57.682 1.00 2.66 N ATOM 0 H LYS A 102 12.447 16.847 -55.279 1.00 0.75 H new ATOM 0 HA LYS A 102 14.105 18.856 -56.484 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.470 17.544 -57.045 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.776 19.100 -57.790 1.00 0.88 H new ATOM 0 HG2 LYS A 102 12.559 17.710 -59.444 1.00 1.03 H new ATOM 0 HG3 LYS A 102 14.044 17.978 -58.553 1.00 1.03 H new ATOM 0 HD2 LYS A 102 12.249 15.606 -57.966 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.452 15.554 -59.240 1.00 1.09 H new ATOM 0 HE2 LYS A 102 14.027 16.144 -56.312 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.270 14.595 -57.095 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 16.322 15.819 -56.956 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 15.876 15.641 -58.584 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.652 17.130 -57.800 1.00 2.66 H new ATOM 1631 N LEU A 103 11.535 19.695 -54.620 1.00 0.83 N ATOM 1632 CA LEU A 103 10.838 20.801 -53.963 1.00 0.97 C ATOM 1633 C LEU A 103 11.784 21.608 -53.078 1.00 1.12 C ATOM 1634 O LEU A 103 11.790 22.840 -53.120 1.00 1.31 O ATOM 1635 CB LEU A 103 9.676 20.276 -53.107 1.00 0.98 C ATOM 1636 CG LEU A 103 8.644 19.418 -53.841 1.00 0.91 C ATOM 1637 CD1 LEU A 103 7.526 19.009 -52.895 1.00 1.01 C ATOM 1638 CD2 LEU A 103 8.080 20.159 -55.047 1.00 1.00 C ATOM 0 H LEU A 103 11.224 18.770 -54.322 1.00 0.83 H new ATOM 0 HA LEU A 103 10.451 21.450 -54.748 1.00 0.97 H new ATOM 0 HB2 LEU A 103 10.090 19.690 -52.286 1.00 0.98 H new ATOM 0 HB3 LEU A 103 9.162 21.129 -52.663 1.00 0.98 H new ATOM 0 HG LEU A 103 9.142 18.518 -54.200 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.800 18.399 -53.432 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.942 18.434 -52.068 1.00 1.01 H new ATOM 0 HD13 LEU A 103 7.034 19.901 -52.506 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.349 19.528 -55.552 1.00 1.00 H new ATOM 0 HD22 LEU A 103 7.599 21.079 -54.716 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.889 20.400 -55.737 1.00 1.00 H new