USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS : no HD1:sc= -0.0595 X(o=-1.2,f=-1.2) USER MOD Set 1.2: A 77 ASN : amide:sc= -1.14 X(o=-1.2,f=-1.5!) USER MOD Set 2.1: A 61 SER OG : rot 104:sc= 0.188 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.807 K(o=-0.62,f=-7.3!) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.455 USER MOD Single : A 26 GLN : amide:sc= -0.595 K(o=-0.59,f=-3.2!) USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= 1.28 (180deg=0.923) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0.136 (180deg=-0.173!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 83:sc= 0.556 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.03) USER MOD Single : A 40 THR OG1 : rot 130:sc= 0.00085 USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.924) USER MOD Single : A 54 SER OG : rot 28:sc= -1.41! USER MOD Single : A 62 ASN :FLIP amide:sc= -0.331 F(o=-2,f=-0.33) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= 0.0722 (180deg=-0.381) USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.11) USER MOD Single : A 86 ASN : amide:sc= 0.0286 X(o=0.029,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -130:sc= -1.19 USER MOD Single : A 92 MET CE :methyl -158:sc= -0.101 (180deg=-0.68) USER MOD Single : A 93 LYS NZ :NH3+ -138:sc= -0.47 (180deg=-4.05!) USER MOD Single : A 94 CYS SG : rot 129:sc= 0.18 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 96 THR OG1 : rot 127:sc= 1.27 USER MOD Single : A 100 TYR OH : rot 69:sc= 0.493 USER MOD Single : A 102 LYS NZ :NH3+ -177:sc= 0.97 (180deg=0.761) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 2.823 15.018 -26.686 1.00 1.24 N ATOM 359 CA CYS A 24 1.611 15.801 -26.855 1.00 0.95 C ATOM 360 C CYS A 24 0.593 14.934 -27.583 1.00 0.84 C ATOM 361 O CYS A 24 0.968 13.914 -28.160 1.00 0.77 O ATOM 362 CB CYS A 24 1.910 17.070 -27.670 1.00 0.99 C ATOM 363 SG CYS A 24 0.498 18.177 -27.894 1.00 1.71 S ATOM 0 HA CYS A 24 1.220 16.109 -25.885 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.711 17.621 -27.177 1.00 0.99 H new ATOM 0 HB3 CYS A 24 2.282 16.775 -28.651 1.00 0.99 H new ATOM 0 HG CYS A 24 0.864 19.211 -28.591 1.00 1.71 H new ATOM 369 N ILE A 25 -0.677 15.324 -27.568 1.00 0.89 N ATOM 370 CA ILE A 25 -1.706 14.579 -28.289 1.00 0.88 C ATOM 371 C ILE A 25 -1.368 14.519 -29.782 1.00 0.74 C ATOM 372 O ILE A 25 -1.537 13.484 -30.433 1.00 0.71 O ATOM 373 CB ILE A 25 -3.118 15.190 -28.074 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.181 14.405 -28.849 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.149 16.658 -28.473 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.338 12.972 -28.387 1.00 1.37 C ATOM 0 H ILE A 25 -1.018 16.145 -27.069 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.725 13.566 -27.887 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.346 15.121 -27.010 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.139 14.915 -28.752 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.923 14.410 -29.908 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.150 17.058 -28.311 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.434 17.215 -27.868 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -2.886 16.754 -29.526 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -5.108 12.480 -28.982 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.392 12.444 -28.510 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.627 12.958 -27.336 1.00 1.37 H new ATOM 388 N GLN A 26 -0.844 15.624 -30.304 1.00 0.69 N ATOM 389 CA GLN A 26 -0.407 15.686 -31.692 1.00 0.64 C ATOM 390 C GLN A 26 0.742 14.709 -31.926 1.00 0.56 C ATOM 391 O GLN A 26 0.796 14.034 -32.950 1.00 0.59 O ATOM 392 CB GLN A 26 0.007 17.123 -32.049 1.00 0.70 C ATOM 393 CG GLN A 26 0.573 17.283 -33.455 1.00 0.80 C ATOM 394 CD GLN A 26 2.087 17.415 -33.472 1.00 1.23 C ATOM 395 OE1 GLN A 26 2.780 16.899 -32.598 1.00 1.75 O ATOM 396 NE2 GLN A 26 2.609 18.111 -34.469 1.00 1.54 N ATOM 0 H GLN A 26 -0.712 16.491 -29.783 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.233 15.398 -32.342 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.860 17.775 -31.943 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.752 17.463 -31.330 1.00 0.70 H new ATOM 0 HG2 GLN A 26 0.282 16.423 -34.058 1.00 0.80 H new ATOM 0 HG3 GLN A 26 0.131 18.164 -33.921 1.00 0.80 H new ATOM 0 HE21 GLN A 26 2.001 18.524 -35.176 1.00 1.54 H new ATOM 0 HE22 GLN A 26 3.620 18.234 -34.531 1.00 1.54 H new ATOM 405 N LYS A 27 1.636 14.618 -30.949 1.00 0.56 N ATOM 406 CA LYS A 27 2.788 13.734 -31.040 1.00 0.60 C ATOM 407 C LYS A 27 2.357 12.275 -30.964 1.00 0.58 C ATOM 408 O LYS A 27 2.961 11.417 -31.595 1.00 0.58 O ATOM 409 CB LYS A 27 3.794 14.060 -29.930 1.00 0.75 C ATOM 410 CG LYS A 27 4.980 13.104 -29.852 1.00 1.27 C ATOM 411 CD LYS A 27 5.751 13.025 -31.166 1.00 1.53 C ATOM 412 CE LYS A 27 6.298 14.377 -31.590 1.00 1.93 C ATOM 413 NZ LYS A 27 7.150 14.270 -32.804 1.00 2.50 N ATOM 0 H LYS A 27 1.583 15.150 -30.080 1.00 0.56 H new ATOM 0 HA LYS A 27 3.271 13.893 -32.004 1.00 0.60 H new ATOM 0 HB2 LYS A 27 4.169 15.072 -30.082 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.274 14.053 -28.972 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.653 13.428 -29.058 1.00 1.27 H new ATOM 0 HG3 LYS A 27 4.624 12.110 -29.582 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.574 12.318 -31.061 1.00 1.53 H new ATOM 0 HD3 LYS A 27 5.097 12.638 -31.947 1.00 1.53 H new ATOM 0 HE2 LYS A 27 5.471 15.059 -31.785 1.00 1.93 H new ATOM 0 HE3 LYS A 27 6.879 14.806 -30.774 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 7.212 15.199 -33.267 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 8.103 13.954 -32.533 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 6.731 13.582 -33.462 1.00 2.50 H new ATOM 427 N VAL A 28 1.312 12.000 -30.193 1.00 0.62 N ATOM 428 CA VAL A 28 0.776 10.647 -30.106 1.00 0.68 C ATOM 429 C VAL A 28 0.374 10.150 -31.490 1.00 0.62 C ATOM 430 O VAL A 28 0.823 9.095 -31.928 1.00 0.62 O ATOM 431 CB VAL A 28 -0.440 10.563 -29.154 1.00 0.77 C ATOM 432 CG1 VAL A 28 -1.025 9.156 -29.145 1.00 1.03 C ATOM 433 CG2 VAL A 28 -0.048 10.980 -27.744 1.00 1.04 C ATOM 0 H VAL A 28 0.822 12.690 -29.623 1.00 0.62 H new ATOM 0 HA VAL A 28 1.565 10.014 -29.699 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.202 11.250 -29.520 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.879 9.121 -28.468 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.348 8.890 -30.151 1.00 1.03 H new ATOM 0 HG13 VAL A 28 -0.267 8.449 -28.809 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.918 10.914 -27.090 1.00 1.04 H new ATOM 0 HG22 VAL A 28 0.736 10.319 -27.374 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.319 12.006 -27.757 1.00 1.04 H new ATOM 443 N ILE A 29 -0.443 10.935 -32.181 1.00 0.60 N ATOM 444 CA ILE A 29 -0.899 10.572 -33.520 1.00 0.57 C ATOM 445 C ILE A 29 0.257 10.608 -34.528 1.00 0.52 C ATOM 446 O ILE A 29 0.426 9.679 -35.321 1.00 0.51 O ATOM 447 CB ILE A 29 -2.056 11.493 -34.003 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.387 11.099 -33.346 1.00 0.75 C ATOM 449 CG2 ILE A 29 -2.197 11.455 -35.521 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.456 11.360 -31.858 1.00 0.79 C ATOM 0 H ILE A 29 -0.804 11.826 -31.839 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.279 9.552 -33.460 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.805 12.511 -33.703 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -4.194 11.645 -33.835 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.565 10.039 -33.524 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -3.014 12.109 -35.827 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -1.269 11.794 -35.981 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -2.409 10.435 -35.841 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.431 11.052 -31.479 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.674 10.793 -31.353 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.313 12.424 -31.668 1.00 0.79 H new ATOM 462 N GLU A 30 1.063 11.666 -34.474 1.00 0.53 N ATOM 463 CA GLU A 30 2.154 11.853 -35.429 1.00 0.55 C ATOM 464 C GLU A 30 3.163 10.711 -35.335 1.00 0.55 C ATOM 465 O GLU A 30 3.459 10.054 -36.329 1.00 0.58 O ATOM 466 CB GLU A 30 2.837 13.208 -35.179 1.00 0.64 C ATOM 467 CG GLU A 30 3.917 13.585 -36.190 1.00 0.99 C ATOM 468 CD GLU A 30 5.276 12.982 -35.873 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.828 13.297 -34.797 1.00 2.20 O ATOM 470 OE2 GLU A 30 5.792 12.196 -36.694 1.00 1.84 O ATOM 0 H GLU A 30 0.981 12.408 -33.779 1.00 0.53 H new ATOM 0 HA GLU A 30 1.741 11.847 -36.438 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.075 13.987 -35.178 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.281 13.195 -34.184 1.00 0.64 H new ATOM 0 HG2 GLU A 30 3.605 13.259 -37.182 1.00 0.99 H new ATOM 0 HG3 GLU A 30 4.008 14.671 -36.225 1.00 0.99 H new ATOM 477 N ASP A 31 3.641 10.441 -34.126 1.00 0.57 N ATOM 478 CA ASP A 31 4.674 9.428 -33.921 1.00 0.64 C ATOM 479 C ASP A 31 4.118 8.031 -34.168 1.00 0.57 C ATOM 480 O ASP A 31 4.856 7.117 -34.544 1.00 0.61 O ATOM 481 CB ASP A 31 5.251 9.522 -32.505 1.00 0.80 C ATOM 482 CG ASP A 31 6.399 8.559 -32.273 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.527 8.852 -32.722 1.00 1.17 O ATOM 484 OD2 ASP A 31 6.185 7.514 -31.625 1.00 1.67 O ATOM 0 H ASP A 31 3.332 10.907 -33.273 1.00 0.57 H new ATOM 0 HA ASP A 31 5.474 9.615 -34.637 1.00 0.64 H new ATOM 0 HB2 ASP A 31 5.595 10.540 -32.325 1.00 0.80 H new ATOM 0 HB3 ASP A 31 4.461 9.320 -31.782 1.00 0.80 H new ATOM 489 N LYS A 32 2.816 7.874 -33.963 1.00 0.53 N ATOM 490 CA LYS A 32 2.156 6.599 -34.194 1.00 0.55 C ATOM 491 C LYS A 32 2.248 6.189 -35.659 1.00 0.48 C ATOM 492 O LYS A 32 2.756 5.112 -35.980 1.00 0.52 O ATOM 493 CB LYS A 32 0.689 6.694 -33.780 1.00 0.67 C ATOM 494 CG LYS A 32 0.345 5.932 -32.511 1.00 0.97 C ATOM 495 CD LYS A 32 0.306 4.432 -32.755 1.00 1.09 C ATOM 496 CE LYS A 32 -0.679 4.073 -33.858 1.00 1.51 C ATOM 497 NZ LYS A 32 -2.047 4.590 -33.583 1.00 2.03 N ATOM 0 H LYS A 32 2.197 8.616 -33.637 1.00 0.53 H new ATOM 0 HA LYS A 32 2.660 5.842 -33.594 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.431 7.744 -33.640 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.069 6.319 -34.594 1.00 0.67 H new ATOM 0 HG2 LYS A 32 1.081 6.157 -31.739 1.00 0.97 H new ATOM 0 HG3 LYS A 32 -0.622 6.266 -32.136 1.00 0.97 H new ATOM 0 HD2 LYS A 32 1.301 4.080 -33.026 1.00 1.09 H new ATOM 0 HD3 LYS A 32 0.026 3.920 -31.835 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -0.324 4.478 -34.806 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -0.718 2.989 -33.969 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -2.649 4.441 -34.418 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -2.452 4.085 -32.769 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -1.997 5.607 -33.369 1.00 2.03 H new ATOM 511 N LEU A 33 1.784 7.059 -36.549 1.00 0.44 N ATOM 512 CA LEU A 33 1.833 6.775 -37.977 1.00 0.44 C ATOM 513 C LEU A 33 3.255 6.911 -38.517 1.00 0.46 C ATOM 514 O LEU A 33 3.640 6.214 -39.458 1.00 0.51 O ATOM 515 CB LEU A 33 0.839 7.664 -38.749 1.00 0.47 C ATOM 516 CG LEU A 33 0.922 9.175 -38.490 1.00 0.48 C ATOM 517 CD1 LEU A 33 1.990 9.826 -39.358 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.433 9.823 -38.732 1.00 0.55 C ATOM 0 H LEU A 33 1.372 7.961 -36.309 1.00 0.44 H new ATOM 0 HA LEU A 33 1.529 5.739 -38.128 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.986 7.493 -39.815 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.171 7.332 -38.509 1.00 0.47 H new ATOM 0 HG LEU A 33 1.204 9.327 -37.448 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.024 10.896 -39.152 1.00 0.57 H new ATOM 0 HD12 LEU A 33 2.960 9.382 -39.135 1.00 0.57 H new ATOM 0 HD13 LEU A 33 1.751 9.667 -40.410 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -0.362 10.895 -38.545 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.738 9.654 -39.765 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -1.171 9.385 -38.060 1.00 0.55 H new ATOM 530 N SER A 34 4.039 7.791 -37.903 1.00 0.47 N ATOM 531 CA SER A 34 5.418 8.017 -38.319 1.00 0.53 C ATOM 532 C SER A 34 6.258 6.759 -38.120 1.00 0.54 C ATOM 533 O SER A 34 6.921 6.296 -39.042 1.00 0.59 O ATOM 534 CB SER A 34 6.024 9.183 -37.532 1.00 0.60 C ATOM 535 OG SER A 34 7.306 9.540 -38.020 1.00 1.29 O ATOM 0 H SER A 34 3.741 8.362 -37.112 1.00 0.47 H new ATOM 0 HA SER A 34 5.418 8.266 -39.380 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.360 10.045 -37.591 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.099 8.910 -36.479 1.00 0.60 H new ATOM 0 HG SER A 34 7.659 10.288 -37.495 1.00 1.29 H new ATOM 541 N SER A 35 6.207 6.195 -36.920 1.00 0.55 N ATOM 542 CA SER A 35 7.005 5.021 -36.603 1.00 0.62 C ATOM 543 C SER A 35 6.477 3.781 -37.322 1.00 0.59 C ATOM 544 O SER A 35 7.234 2.848 -37.606 1.00 0.65 O ATOM 545 CB SER A 35 7.021 4.794 -35.091 1.00 0.72 C ATOM 546 OG SER A 35 7.496 5.947 -34.412 1.00 0.78 O ATOM 0 H SER A 35 5.623 6.531 -36.154 1.00 0.55 H new ATOM 0 HA SER A 35 8.023 5.197 -36.949 1.00 0.62 H new ATOM 0 HB2 SER A 35 6.016 4.551 -34.745 1.00 0.72 H new ATOM 0 HB3 SER A 35 7.655 3.940 -34.854 1.00 0.72 H new ATOM 0 HG SER A 35 6.762 6.586 -34.300 1.00 0.78 H new ATOM 552 N ALA A 36 5.184 3.774 -37.619 1.00 0.54 N ATOM 553 CA ALA A 36 4.559 2.639 -38.285 1.00 0.57 C ATOM 554 C ALA A 36 4.892 2.606 -39.776 1.00 0.51 C ATOM 555 O ALA A 36 5.382 1.600 -40.284 1.00 0.52 O ATOM 556 CB ALA A 36 3.054 2.671 -38.083 1.00 0.64 C ATOM 0 H ALA A 36 4.547 4.543 -37.409 1.00 0.54 H new ATOM 0 HA ALA A 36 4.960 1.731 -37.835 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.601 1.817 -38.586 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.829 2.626 -37.017 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.650 3.594 -38.500 1.00 0.64 H new ATOM 562 N LEU A 37 4.630 3.710 -40.467 1.00 0.50 N ATOM 563 CA LEU A 37 4.835 3.777 -41.911 1.00 0.53 C ATOM 564 C LEU A 37 6.286 4.094 -42.251 1.00 0.52 C ATOM 565 O LEU A 37 6.819 3.598 -43.244 1.00 0.62 O ATOM 566 CB LEU A 37 3.915 4.835 -42.531 1.00 0.57 C ATOM 567 CG LEU A 37 2.416 4.562 -42.382 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.606 5.722 -42.939 1.00 0.86 C ATOM 569 CD2 LEU A 37 2.039 3.264 -43.081 1.00 0.94 C ATOM 0 H LEU A 37 4.275 4.571 -40.051 1.00 0.50 H new ATOM 0 HA LEU A 37 4.592 2.799 -42.326 1.00 0.53 H new ATOM 0 HB2 LEU A 37 4.139 5.800 -42.077 1.00 0.57 H new ATOM 0 HB3 LEU A 37 4.149 4.920 -43.592 1.00 0.57 H new ATOM 0 HG LEU A 37 2.188 4.461 -41.321 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.543 5.511 -42.825 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.855 6.634 -42.396 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.838 5.854 -43.996 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.970 3.085 -42.965 1.00 0.94 H new ATOM 0 HD22 LEU A 37 2.282 3.338 -44.141 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.595 2.438 -42.638 1.00 0.94 H new ATOM 581 N LYS A 38 6.908 4.918 -41.410 1.00 0.47 N ATOM 582 CA LYS A 38 8.287 5.369 -41.603 1.00 0.52 C ATOM 583 C LYS A 38 8.446 6.186 -42.884 1.00 0.47 C ATOM 584 O LYS A 38 8.769 5.657 -43.950 1.00 0.54 O ATOM 585 CB LYS A 38 9.271 4.194 -41.580 1.00 0.70 C ATOM 586 CG LYS A 38 9.450 3.587 -40.198 1.00 1.32 C ATOM 587 CD LYS A 38 10.481 2.474 -40.206 1.00 1.93 C ATOM 588 CE LYS A 38 10.750 1.952 -38.804 1.00 2.67 C ATOM 589 NZ LYS A 38 9.525 1.399 -38.169 1.00 3.36 N ATOM 0 H LYS A 38 6.468 5.294 -40.570 1.00 0.47 H new ATOM 0 HA LYS A 38 8.525 6.024 -40.764 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.921 3.422 -42.266 1.00 0.70 H new ATOM 0 HB3 LYS A 38 10.239 4.533 -41.949 1.00 0.70 H new ATOM 0 HG2 LYS A 38 9.757 4.363 -39.496 1.00 1.32 H new ATOM 0 HG3 LYS A 38 8.495 3.197 -39.845 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.131 1.658 -40.838 1.00 1.93 H new ATOM 0 HD3 LYS A 38 11.410 2.840 -40.643 1.00 1.93 H new ATOM 0 HE2 LYS A 38 11.517 1.178 -38.847 1.00 2.67 H new ATOM 0 HE3 LYS A 38 11.145 2.759 -38.187 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 9.775 0.948 -37.266 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 8.846 2.168 -37.996 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 9.095 0.693 -38.800 1.00 3.36 H new ATOM 603 N PRO A 39 8.179 7.495 -42.795 1.00 0.46 N ATOM 604 CA PRO A 39 8.370 8.420 -43.895 1.00 0.47 C ATOM 605 C PRO A 39 9.733 9.112 -43.837 1.00 0.51 C ATOM 606 O PRO A 39 10.356 9.196 -42.776 1.00 0.63 O ATOM 607 CB PRO A 39 7.246 9.427 -43.660 1.00 0.50 C ATOM 608 CG PRO A 39 7.048 9.457 -42.174 1.00 0.54 C ATOM 609 CD PRO A 39 7.640 8.183 -41.612 1.00 0.52 C ATOM 0 HA PRO A 39 8.346 7.934 -44.870 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.514 10.412 -44.041 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.333 9.124 -44.173 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.535 10.330 -41.740 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.988 9.528 -41.930 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.421 8.393 -40.881 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.885 7.580 -41.108 1.00 0.52 H new ATOM 617 N THR A 40 10.196 9.606 -44.975 1.00 0.52 N ATOM 618 CA THR A 40 11.437 10.358 -45.024 1.00 0.61 C ATOM 619 C THR A 40 11.190 11.781 -44.539 1.00 0.62 C ATOM 620 O THR A 40 12.074 12.431 -43.979 1.00 0.73 O ATOM 621 CB THR A 40 12.023 10.382 -46.450 1.00 0.67 C ATOM 622 OG1 THR A 40 11.005 10.750 -47.391 1.00 0.70 O ATOM 623 CG2 THR A 40 12.597 9.024 -46.826 1.00 0.71 C ATOM 0 H THR A 40 9.730 9.499 -45.876 1.00 0.52 H new ATOM 0 HA THR A 40 12.161 9.867 -44.373 1.00 0.61 H new ATOM 0 HB THR A 40 12.827 11.117 -46.474 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.336 11.471 -47.966 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.004 9.068 -47.836 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.390 8.758 -46.127 1.00 0.71 H new ATOM 0 HG23 THR A 40 11.809 8.272 -46.785 1.00 0.71 H new ATOM 631 N PHE A 41 9.967 12.245 -44.758 1.00 0.54 N ATOM 632 CA PHE A 41 9.533 13.546 -44.282 1.00 0.55 C ATOM 633 C PHE A 41 8.089 13.467 -43.807 1.00 0.48 C ATOM 634 O PHE A 41 7.242 12.875 -44.477 1.00 0.45 O ATOM 635 CB PHE A 41 9.669 14.597 -45.388 1.00 0.57 C ATOM 636 CG PHE A 41 9.217 15.971 -44.974 1.00 0.62 C ATOM 637 CD1 PHE A 41 9.965 16.721 -44.080 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.045 16.512 -45.481 1.00 0.62 C ATOM 639 CE1 PHE A 41 9.554 17.984 -43.700 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.630 17.774 -45.104 1.00 0.70 C ATOM 641 CZ PHE A 41 8.384 18.511 -44.213 1.00 0.75 C ATOM 0 H PHE A 41 9.251 11.729 -45.270 1.00 0.54 H new ATOM 0 HA PHE A 41 10.168 13.842 -43.447 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.711 14.647 -45.704 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.088 14.278 -46.254 1.00 0.57 H new ATOM 0 HD1 PHE A 41 10.880 16.313 -43.676 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.450 15.940 -46.178 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.146 18.559 -43.003 1.00 0.76 H new ATOM 0 HE2 PHE A 41 6.716 18.184 -45.506 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.060 19.498 -43.917 1.00 0.75 H new ATOM 651 N LEU A 42 7.823 14.049 -42.649 1.00 0.50 N ATOM 652 CA LEU A 42 6.482 14.069 -42.088 1.00 0.48 C ATOM 653 C LEU A 42 6.231 15.429 -41.450 1.00 0.54 C ATOM 654 O LEU A 42 6.877 15.787 -40.466 1.00 0.64 O ATOM 655 CB LEU A 42 6.331 12.943 -41.048 1.00 0.53 C ATOM 656 CG LEU A 42 4.895 12.483 -40.732 1.00 0.60 C ATOM 657 CD1 LEU A 42 4.090 13.577 -40.046 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.192 12.022 -42.000 1.00 1.55 C ATOM 0 H LEU A 42 8.524 14.517 -42.075 1.00 0.50 H new ATOM 0 HA LEU A 42 5.748 13.904 -42.876 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.896 12.079 -41.397 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.795 13.273 -40.119 1.00 0.53 H new ATOM 0 HG LEU A 42 4.964 11.643 -40.041 1.00 0.60 H new ATOM 0 HD11 LEU A 42 3.083 13.213 -39.840 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.575 13.853 -39.110 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.034 14.450 -40.696 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.179 11.701 -41.758 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.151 12.845 -42.713 1.00 1.55 H new ATOM 0 HD23 LEU A 42 4.742 11.189 -42.439 1.00 1.55 H new ATOM 670 N GLU A 43 5.321 16.197 -42.031 1.00 0.57 N ATOM 671 CA GLU A 43 4.958 17.490 -41.474 1.00 0.69 C ATOM 672 C GLU A 43 3.519 17.453 -40.984 1.00 0.60 C ATOM 673 O GLU A 43 2.604 17.141 -41.746 1.00 0.53 O ATOM 674 CB GLU A 43 5.142 18.612 -42.502 1.00 0.82 C ATOM 675 CG GLU A 43 4.818 19.993 -41.948 1.00 1.00 C ATOM 676 CD GLU A 43 5.128 21.115 -42.919 1.00 1.62 C ATOM 677 OE1 GLU A 43 6.268 21.623 -42.895 1.00 2.23 O ATOM 678 OE2 GLU A 43 4.229 21.508 -43.691 1.00 2.19 O ATOM 0 H GLU A 43 4.822 15.948 -42.885 1.00 0.57 H new ATOM 0 HA GLU A 43 5.620 17.699 -40.634 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.172 18.603 -42.859 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.504 18.415 -43.364 1.00 0.82 H new ATOM 0 HG2 GLU A 43 3.761 20.032 -41.683 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.383 20.150 -41.029 1.00 1.00 H new ATOM 685 N LEU A 44 3.326 17.742 -39.712 1.00 0.67 N ATOM 686 CA LEU A 44 1.997 17.745 -39.132 1.00 0.65 C ATOM 687 C LEU A 44 1.463 19.170 -39.085 1.00 0.64 C ATOM 688 O LEU A 44 2.005 20.019 -38.377 1.00 0.77 O ATOM 689 CB LEU A 44 2.042 17.143 -37.724 1.00 0.82 C ATOM 690 CG LEU A 44 0.896 16.191 -37.370 1.00 0.97 C ATOM 691 CD1 LEU A 44 -0.441 16.900 -37.464 1.00 1.27 C ATOM 692 CD2 LEU A 44 0.917 14.971 -38.275 1.00 1.72 C ATOM 0 H LEU A 44 4.074 17.978 -39.059 1.00 0.67 H new ATOM 0 HA LEU A 44 1.331 17.140 -39.747 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.984 16.607 -37.608 1.00 0.82 H new ATOM 0 HB3 LEU A 44 2.049 17.958 -37.001 1.00 0.82 H new ATOM 0 HG LEU A 44 1.034 15.860 -36.341 1.00 0.97 H new ATOM 0 HD11 LEU A 44 -1.240 16.205 -37.208 1.00 1.27 H new ATOM 0 HD12 LEU A 44 -0.456 17.741 -36.771 1.00 1.27 H new ATOM 0 HD13 LEU A 44 -0.589 17.265 -38.480 1.00 1.27 H new ATOM 0 HD21 LEU A 44 0.095 14.306 -38.008 1.00 1.72 H new ATOM 0 HD22 LEU A 44 0.807 15.286 -39.313 1.00 1.72 H new ATOM 0 HD23 LEU A 44 1.864 14.445 -38.154 1.00 1.72 H new ATOM 704 N VAL A 45 0.402 19.429 -39.829 1.00 0.57 N ATOM 705 CA VAL A 45 -0.156 20.767 -39.918 1.00 0.63 C ATOM 706 C VAL A 45 -1.536 20.822 -39.274 1.00 0.60 C ATOM 707 O VAL A 45 -2.358 19.923 -39.470 1.00 0.56 O ATOM 708 CB VAL A 45 -0.264 21.228 -41.392 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.727 22.676 -41.479 1.00 1.08 C ATOM 710 CG2 VAL A 45 1.063 21.040 -42.117 1.00 0.90 C ATOM 0 H VAL A 45 -0.092 18.728 -40.382 1.00 0.57 H new ATOM 0 HA VAL A 45 0.518 21.437 -39.384 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.012 20.606 -41.884 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.794 22.974 -42.525 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.706 22.774 -41.010 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.012 23.318 -40.964 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.963 21.371 -43.151 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.835 21.628 -41.621 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.342 19.986 -42.098 1.00 0.90 H new ATOM 720 N ASP A 46 -1.773 21.863 -38.482 1.00 0.76 N ATOM 721 CA ASP A 46 -3.104 22.127 -37.950 1.00 0.83 C ATOM 722 C ASP A 46 -4.028 22.524 -39.089 1.00 0.80 C ATOM 723 O ASP A 46 -3.849 23.568 -39.716 1.00 0.99 O ATOM 724 CB ASP A 46 -3.059 23.230 -36.887 1.00 1.16 C ATOM 725 CG ASP A 46 -4.434 23.783 -36.544 1.00 1.38 C ATOM 726 OD1 ASP A 46 -5.394 22.994 -36.394 1.00 1.83 O ATOM 727 OD2 ASP A 46 -4.561 25.019 -36.434 1.00 1.57 O ATOM 0 H ASP A 46 -1.062 22.536 -38.195 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.482 21.222 -37.474 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -2.596 22.836 -35.982 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.425 24.043 -37.241 1.00 1.16 H new ATOM 732 N LYS A 47 -4.993 21.670 -39.369 1.00 0.81 N ATOM 733 CA LYS A 47 -5.861 21.852 -40.520 1.00 1.03 C ATOM 734 C LYS A 47 -6.996 22.820 -40.195 1.00 1.12 C ATOM 735 O LYS A 47 -7.508 23.510 -41.081 1.00 1.66 O ATOM 736 CB LYS A 47 -6.412 20.491 -40.954 1.00 1.36 C ATOM 737 CG LYS A 47 -7.080 20.491 -42.319 1.00 1.85 C ATOM 738 CD LYS A 47 -7.492 19.085 -42.722 1.00 2.14 C ATOM 739 CE LYS A 47 -8.084 19.050 -44.121 1.00 2.34 C ATOM 740 NZ LYS A 47 -7.109 19.489 -45.154 1.00 2.76 N ATOM 0 H LYS A 47 -5.198 20.839 -38.814 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.286 22.284 -41.339 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -5.596 19.768 -40.962 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -7.132 20.150 -40.210 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -7.956 21.139 -42.299 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -6.397 20.901 -43.063 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -6.625 18.425 -42.677 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -8.222 18.701 -42.009 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -8.419 18.038 -44.347 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -8.964 19.692 -44.158 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -7.383 19.099 -46.078 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -7.102 20.528 -45.205 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -6.159 19.148 -44.902 1.00 2.76 H new ATOM 815 N SER A 54 -7.771 18.702 -35.553 1.00 1.25 N ATOM 816 CA SER A 54 -7.829 18.615 -36.996 1.00 1.00 C ATOM 817 C SER A 54 -6.416 18.647 -37.552 1.00 0.82 C ATOM 818 O SER A 54 -5.716 19.655 -37.436 1.00 0.89 O ATOM 819 CB SER A 54 -8.664 19.763 -37.568 1.00 1.14 C ATOM 820 OG SER A 54 -8.809 19.639 -38.972 1.00 1.71 O ATOM 0 HA SER A 54 -8.307 17.679 -37.286 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.647 19.771 -37.097 1.00 1.14 H new ATOM 0 HB3 SER A 54 -8.189 20.715 -37.331 1.00 1.14 H new ATOM 0 HG SER A 54 -8.751 18.694 -39.225 1.00 1.71 H new ATOM 826 N PHE A 55 -5.996 17.548 -38.153 1.00 0.67 N ATOM 827 CA PHE A 55 -4.618 17.406 -38.580 1.00 0.60 C ATOM 828 C PHE A 55 -4.531 17.078 -40.060 1.00 0.52 C ATOM 829 O PHE A 55 -5.238 16.199 -40.555 1.00 0.50 O ATOM 830 CB PHE A 55 -3.920 16.305 -37.776 1.00 0.67 C ATOM 831 CG PHE A 55 -3.931 16.528 -36.290 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.377 17.672 -35.741 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.486 15.584 -35.442 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.377 17.872 -34.374 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.490 15.778 -34.074 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.936 16.925 -33.539 1.00 1.15 C ATOM 0 H PHE A 55 -6.589 16.743 -38.356 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.120 18.359 -38.403 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.401 15.351 -37.993 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.886 16.224 -38.113 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.940 18.417 -36.389 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -4.921 14.686 -35.855 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.940 18.768 -33.959 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -4.926 15.034 -33.424 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.940 17.081 -32.470 1.00 1.15 H new ATOM 846 N ASP A 56 -3.665 17.792 -40.753 1.00 0.51 N ATOM 847 CA ASP A 56 -3.331 17.471 -42.127 1.00 0.52 C ATOM 848 C ASP A 56 -1.867 17.082 -42.159 1.00 0.50 C ATOM 849 O ASP A 56 -0.993 17.897 -41.853 1.00 0.55 O ATOM 850 CB ASP A 56 -3.594 18.657 -43.059 1.00 0.58 C ATOM 851 CG ASP A 56 -3.642 18.250 -44.523 1.00 0.64 C ATOM 852 OD1 ASP A 56 -2.582 17.931 -45.103 1.00 1.23 O ATOM 853 OD2 ASP A 56 -4.751 18.255 -45.108 1.00 1.35 O ATOM 0 H ASP A 56 -3.176 18.606 -40.382 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.957 16.651 -42.479 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.539 19.127 -42.785 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.813 19.405 -42.919 1.00 0.58 H new ATOM 858 N ALA A 57 -1.599 15.833 -42.479 1.00 0.48 N ATOM 859 CA ALA A 57 -0.252 15.307 -42.375 1.00 0.48 C ATOM 860 C ALA A 57 0.386 15.139 -43.739 1.00 0.44 C ATOM 861 O ALA A 57 -0.097 14.373 -44.577 1.00 0.46 O ATOM 862 CB ALA A 57 -0.254 13.984 -41.629 1.00 0.51 C ATOM 0 H ALA A 57 -2.293 15.164 -42.812 1.00 0.48 H new ATOM 0 HA ALA A 57 0.342 16.029 -41.814 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.765 13.604 -41.560 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.654 14.132 -40.626 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.874 13.265 -42.165 1.00 0.51 H new ATOM 868 N VAL A 58 1.467 15.863 -43.961 1.00 0.42 N ATOM 869 CA VAL A 58 2.248 15.699 -45.167 1.00 0.41 C ATOM 870 C VAL A 58 3.156 14.488 -45.008 1.00 0.39 C ATOM 871 O VAL A 58 4.096 14.506 -44.210 1.00 0.41 O ATOM 872 CB VAL A 58 3.100 16.949 -45.475 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.843 16.785 -46.792 1.00 0.51 C ATOM 874 CG2 VAL A 58 2.231 18.199 -45.497 1.00 0.55 C ATOM 0 H VAL A 58 1.823 16.571 -43.319 1.00 0.42 H new ATOM 0 HA VAL A 58 1.561 15.555 -46.001 1.00 0.41 H new ATOM 0 HB VAL A 58 3.839 17.061 -44.682 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.437 17.678 -46.988 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.501 15.918 -46.733 1.00 0.51 H new ATOM 0 HG13 VAL A 58 3.125 16.642 -47.599 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.850 19.069 -45.716 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.465 18.096 -46.266 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.754 18.328 -44.525 1.00 0.55 H new ATOM 884 N ILE A 59 2.864 13.444 -45.757 1.00 0.38 N ATOM 885 CA ILE A 59 3.594 12.199 -45.650 1.00 0.40 C ATOM 886 C ILE A 59 4.396 11.943 -46.921 1.00 0.44 C ATOM 887 O ILE A 59 3.844 11.754 -48.008 1.00 0.65 O ATOM 888 CB ILE A 59 2.635 11.016 -45.317 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.382 9.667 -45.246 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.477 10.951 -46.309 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.490 8.925 -46.567 1.00 0.80 C ATOM 0 H ILE A 59 2.118 13.435 -46.453 1.00 0.38 H new ATOM 0 HA ILE A 59 4.301 12.278 -44.824 1.00 0.40 H new ATOM 0 HB ILE A 59 2.223 11.207 -44.326 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.387 9.845 -44.863 1.00 1.18 H new ATOM 0 HG13 ILE A 59 2.875 9.025 -44.526 1.00 1.18 H new ATOM 0 HG21 ILE A 59 0.824 10.117 -46.052 1.00 0.77 H new ATOM 0 HG22 ILE A 59 0.910 11.881 -46.268 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.868 10.809 -47.316 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.030 7.990 -46.416 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.491 8.710 -46.946 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.026 9.542 -47.288 1.00 0.80 H new ATOM 903 N VAL A 60 5.706 11.997 -46.776 1.00 0.39 N ATOM 904 CA VAL A 60 6.617 11.690 -47.859 1.00 0.42 C ATOM 905 C VAL A 60 7.326 10.381 -47.551 1.00 0.40 C ATOM 906 O VAL A 60 8.157 10.325 -46.647 1.00 0.44 O ATOM 907 CB VAL A 60 7.658 12.812 -48.047 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.621 12.479 -49.170 1.00 0.58 C ATOM 909 CG2 VAL A 60 6.973 14.146 -48.305 1.00 0.58 C ATOM 0 H VAL A 60 6.168 12.255 -45.904 1.00 0.39 H new ATOM 0 HA VAL A 60 6.046 11.602 -48.783 1.00 0.42 H new ATOM 0 HB VAL A 60 8.232 12.895 -47.124 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.344 13.287 -49.281 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.145 11.552 -48.937 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.067 12.358 -50.101 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.727 14.923 -48.435 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.366 14.075 -49.208 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.335 14.397 -47.458 1.00 0.58 H new ATOM 919 N SER A 61 6.987 9.328 -48.277 1.00 0.39 N ATOM 920 CA SER A 61 7.507 8.005 -47.945 1.00 0.42 C ATOM 921 C SER A 61 7.673 7.120 -49.176 1.00 0.42 C ATOM 922 O SER A 61 7.011 7.313 -50.200 1.00 0.43 O ATOM 923 CB SER A 61 6.603 7.310 -46.919 1.00 0.45 C ATOM 924 OG SER A 61 7.136 6.048 -46.541 1.00 0.84 O ATOM 0 H SER A 61 6.366 9.357 -49.086 1.00 0.39 H new ATOM 0 HA SER A 61 8.496 8.155 -47.513 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.495 7.942 -46.037 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.606 7.176 -47.339 1.00 0.45 H new ATOM 0 HG SER A 61 7.536 6.116 -45.649 1.00 0.84 H new ATOM 930 N ASN A 62 8.582 6.156 -49.055 1.00 0.51 N ATOM 931 CA ASN A 62 8.876 5.196 -50.115 1.00 0.57 C ATOM 932 C ASN A 62 7.692 4.263 -50.374 1.00 0.56 C ATOM 933 O ASN A 62 7.611 3.637 -51.430 1.00 0.59 O ATOM 934 CB ASN A 62 10.118 4.368 -49.759 1.00 0.75 C ATOM 935 CG ASN A 62 11.409 5.173 -49.793 1.00 0.86 C ATOM 936 OD1 ASN A 62 11.526 6.081 -50.755 1.00 1.67 O flip ATOM 937 ND2 ASN A 62 12.307 4.961 -48.975 1.00 0.76 N flip ATOM 0 H ASN A 62 9.139 6.018 -48.212 1.00 0.51 H new ATOM 0 HA ASN A 62 9.068 5.764 -51.025 1.00 0.57 H new ATOM 0 HB2 ASN A 62 9.989 3.943 -48.764 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.201 3.533 -50.454 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.180 4.255 -48.250 1.00 0.76 H new ATOM 0 HD22 ASN A 62 13.177 5.492 -49.023 1.00 0.76 H new ATOM 944 N ASN A 63 6.777 4.159 -49.412 1.00 0.57 N ATOM 945 CA ASN A 63 5.606 3.294 -49.579 1.00 0.66 C ATOM 946 C ASN A 63 4.661 3.841 -50.651 1.00 0.67 C ATOM 947 O ASN A 63 3.917 3.087 -51.280 1.00 0.86 O ATOM 948 CB ASN A 63 4.853 3.074 -48.252 1.00 0.73 C ATOM 949 CG ASN A 63 4.407 4.354 -47.556 1.00 1.03 C ATOM 950 OD1 ASN A 63 4.204 5.396 -48.178 1.00 1.81 O ATOM 951 ND2 ASN A 63 4.230 4.271 -46.245 1.00 1.00 N ATOM 0 H ASN A 63 6.820 4.654 -48.521 1.00 0.57 H new ATOM 0 HA ASN A 63 5.976 2.323 -49.910 1.00 0.66 H new ATOM 0 HB2 ASN A 63 3.976 2.457 -48.445 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.495 2.512 -47.574 1.00 0.73 H new ATOM 0 HD21 ASN A 63 3.916 5.087 -45.720 1.00 1.00 H new ATOM 0 HD22 ASN A 63 4.408 3.391 -45.761 1.00 1.00 H new ATOM 958 N PHE A 64 4.708 5.148 -50.873 1.00 0.60 N ATOM 959 CA PHE A 64 3.910 5.775 -51.918 1.00 0.67 C ATOM 960 C PHE A 64 4.655 5.704 -53.247 1.00 0.60 C ATOM 961 O PHE A 64 4.084 5.924 -54.317 1.00 0.65 O ATOM 962 CB PHE A 64 3.596 7.229 -51.545 1.00 0.80 C ATOM 963 CG PHE A 64 2.666 7.918 -52.507 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.354 7.493 -52.648 1.00 1.84 C ATOM 965 CD2 PHE A 64 3.105 8.985 -53.274 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.499 8.121 -53.533 1.00 2.66 C ATOM 967 CE2 PHE A 64 2.255 9.617 -54.161 1.00 2.95 C ATOM 968 CZ PHE A 64 0.949 9.184 -54.292 1.00 3.19 C ATOM 0 H PHE A 64 5.291 5.795 -50.343 1.00 0.60 H new ATOM 0 HA PHE A 64 2.966 5.240 -52.019 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.154 7.251 -50.549 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.529 7.790 -51.492 1.00 0.80 H new ATOM 0 HD1 PHE A 64 0.996 6.661 -52.059 1.00 1.84 H new ATOM 0 HD2 PHE A 64 4.125 9.327 -53.177 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.521 7.781 -53.631 1.00 2.66 H new ATOM 0 HE2 PHE A 64 2.611 10.448 -54.751 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.282 9.675 -54.985 1.00 3.19 H new ATOM 978 N GLU A 65 5.931 5.357 -53.163 1.00 0.58 N ATOM 979 CA GLU A 65 6.785 5.235 -54.321 1.00 0.61 C ATOM 980 C GLU A 65 6.568 3.862 -54.958 1.00 0.65 C ATOM 981 O GLU A 65 6.769 3.670 -56.156 1.00 0.75 O ATOM 982 CB GLU A 65 8.233 5.461 -53.863 1.00 0.71 C ATOM 983 CG GLU A 65 9.238 4.490 -54.432 1.00 0.87 C ATOM 984 CD GLU A 65 9.813 4.943 -55.755 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.611 5.904 -55.755 1.00 2.11 O ATOM 986 OE2 GLU A 65 9.488 4.339 -56.794 1.00 2.14 O ATOM 0 H GLU A 65 6.400 5.152 -52.281 1.00 0.58 H new ATOM 0 HA GLU A 65 6.551 5.978 -55.083 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.532 6.473 -54.137 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.268 5.402 -52.775 1.00 0.71 H new ATOM 0 HG2 GLU A 65 10.049 4.354 -53.717 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.762 3.518 -54.562 1.00 0.87 H new ATOM 993 N ASP A 66 6.112 2.917 -54.135 1.00 0.69 N ATOM 994 CA ASP A 66 5.721 1.591 -54.610 1.00 0.84 C ATOM 995 C ASP A 66 4.469 1.721 -55.481 1.00 0.80 C ATOM 996 O ASP A 66 4.164 0.851 -56.296 1.00 0.93 O ATOM 997 CB ASP A 66 5.431 0.673 -53.414 1.00 1.00 C ATOM 998 CG ASP A 66 5.820 -0.782 -53.641 1.00 1.40 C ATOM 999 OD1 ASP A 66 5.314 -1.415 -54.591 1.00 1.94 O ATOM 1000 OD2 ASP A 66 6.622 -1.309 -52.839 1.00 2.03 O ATOM 0 H ASP A 66 6.004 3.048 -53.129 1.00 0.69 H new ATOM 0 HA ASP A 66 6.532 1.159 -55.197 1.00 0.84 H new ATOM 0 HB2 ASP A 66 5.966 1.050 -52.542 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.367 0.722 -53.181 1.00 1.00 H new ATOM 1005 N LYS A 67 3.754 2.834 -55.281 1.00 0.78 N ATOM 1006 CA LYS A 67 2.538 3.161 -56.031 1.00 0.88 C ATOM 1007 C LYS A 67 1.425 2.153 -55.736 1.00 0.78 C ATOM 1008 O LYS A 67 0.490 1.974 -56.519 1.00 0.86 O ATOM 1009 CB LYS A 67 2.834 3.227 -57.536 1.00 1.17 C ATOM 1010 CG LYS A 67 1.735 3.896 -58.350 1.00 1.67 C ATOM 1011 CD LYS A 67 2.072 3.923 -59.830 1.00 2.00 C ATOM 1012 CE LYS A 67 2.226 2.522 -60.391 1.00 2.46 C ATOM 1013 NZ LYS A 67 2.548 2.541 -61.840 1.00 3.31 N ATOM 0 H LYS A 67 4.006 3.539 -54.588 1.00 0.78 H new ATOM 0 HA LYS A 67 2.192 4.143 -55.708 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.768 3.768 -57.690 1.00 1.17 H new ATOM 0 HB3 LYS A 67 2.987 2.215 -57.911 1.00 1.17 H new ATOM 0 HG2 LYS A 67 0.796 3.364 -58.200 1.00 1.67 H new ATOM 0 HG3 LYS A 67 1.585 4.915 -57.992 1.00 1.67 H new ATOM 0 HD2 LYS A 67 1.287 4.449 -60.373 1.00 2.00 H new ATOM 0 HD3 LYS A 67 2.996 4.481 -59.984 1.00 2.00 H new ATOM 0 HE2 LYS A 67 3.014 1.999 -59.850 1.00 2.46 H new ATOM 0 HE3 LYS A 67 1.304 1.963 -60.231 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 2.645 1.565 -62.187 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 1.784 3.018 -62.359 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 3.441 3.053 -61.991 1.00 3.31 H new ATOM 1027 N LYS A 68 1.518 1.508 -54.584 1.00 0.83 N ATOM 1028 CA LYS A 68 0.500 0.559 -54.173 1.00 0.90 C ATOM 1029 C LYS A 68 -0.576 1.265 -53.363 1.00 0.82 C ATOM 1030 O LYS A 68 -0.482 1.376 -52.140 1.00 0.87 O ATOM 1031 CB LYS A 68 1.131 -0.573 -53.363 1.00 1.16 C ATOM 1032 CG LYS A 68 2.202 -1.327 -54.132 1.00 1.35 C ATOM 1033 CD LYS A 68 1.628 -2.036 -55.348 1.00 1.37 C ATOM 1034 CE LYS A 68 0.779 -3.229 -54.944 1.00 1.55 C ATOM 1035 NZ LYS A 68 1.593 -4.284 -54.285 1.00 1.99 N ATOM 0 H LYS A 68 2.284 1.624 -53.921 1.00 0.83 H new ATOM 0 HA LYS A 68 0.037 0.129 -55.061 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.567 -0.162 -52.452 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.352 -1.271 -53.056 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.979 -0.632 -54.449 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.676 -2.057 -53.475 1.00 1.35 H new ATOM 0 HD2 LYS A 68 1.024 -1.337 -55.927 1.00 1.37 H new ATOM 0 HD3 LYS A 68 2.440 -2.368 -55.995 1.00 1.37 H new ATOM 0 HE2 LYS A 68 -0.010 -2.902 -54.267 1.00 1.55 H new ATOM 0 HE3 LYS A 68 0.291 -3.644 -55.826 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 1.434 -5.194 -54.763 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 2.600 -4.033 -54.344 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 1.314 -4.364 -53.286 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.590 1.754 -54.066 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.652 2.538 -53.453 1.00 0.91 C ATOM 1051 C LEU A 69 -3.400 1.712 -52.409 1.00 0.85 C ATOM 1052 O LEU A 69 -3.589 2.159 -51.277 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.608 3.059 -54.538 1.00 1.16 C ATOM 1054 CG LEU A 69 -4.601 4.151 -54.108 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.107 4.902 -55.329 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -5.779 3.559 -53.346 1.00 2.33 C ATOM 0 H LEU A 69 -1.698 1.619 -55.071 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.211 3.393 -52.941 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.010 3.447 -55.363 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.177 2.214 -54.927 1.00 1.16 H new ATOM 0 HG LEU A 69 -4.077 4.840 -53.445 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -5.810 5.674 -55.016 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -4.266 5.365 -55.846 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.608 4.206 -56.002 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -6.463 4.357 -53.056 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -6.303 2.846 -53.983 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -5.416 3.050 -52.453 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.815 0.509 -52.785 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.566 -0.355 -51.881 1.00 0.91 C ATOM 1070 C LEU A 70 -3.736 -0.753 -50.658 1.00 0.79 C ATOM 1071 O LEU A 70 -4.278 -0.926 -49.567 1.00 0.80 O ATOM 1072 CB LEU A 70 -5.144 -1.595 -52.621 1.00 1.06 C ATOM 1073 CG LEU A 70 -4.175 -2.688 -53.145 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -3.005 -2.109 -53.927 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.687 -3.590 -52.018 1.00 1.07 C ATOM 0 H LEU A 70 -3.645 0.109 -53.708 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.415 0.221 -51.514 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.850 -2.079 -51.946 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.717 -1.230 -53.473 1.00 1.06 H new ATOM 0 HG LEU A 70 -4.750 -3.298 -53.842 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -2.360 -2.918 -54.269 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.381 -1.556 -54.788 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.435 -1.438 -53.285 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -3.011 -4.343 -52.422 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.161 -2.991 -51.275 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -4.540 -4.082 -51.550 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.423 -0.873 -50.827 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.554 -1.269 -49.724 1.00 0.70 C ATOM 1089 C ASP A 71 -1.370 -0.134 -48.726 1.00 0.63 C ATOM 1090 O ASP A 71 -1.487 -0.341 -47.521 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.204 -1.776 -50.225 1.00 0.77 C ATOM 1092 CG ASP A 71 -0.287 -3.196 -50.753 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.460 -4.132 -49.941 1.00 2.08 O ATOM 1094 OD2 ASP A 71 -0.188 -3.387 -51.983 1.00 1.58 O ATOM 0 H ASP A 71 -1.940 -0.703 -51.709 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.047 -2.093 -49.208 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.160 -1.117 -51.014 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.522 -1.733 -49.413 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.101 1.072 -49.214 1.00 0.67 N ATOM 1100 CA ARG A 72 -0.988 2.222 -48.321 1.00 0.74 C ATOM 1101 C ARG A 72 -2.352 2.539 -47.704 1.00 0.67 C ATOM 1102 O ARG A 72 -2.437 3.071 -46.603 1.00 0.68 O ATOM 1103 CB ARG A 72 -0.390 3.446 -49.049 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.115 3.864 -50.323 1.00 1.31 C ATOM 1105 CD ARG A 72 -2.247 4.847 -50.053 1.00 1.53 C ATOM 1106 NE ARG A 72 -1.985 6.158 -50.653 1.00 1.92 N ATOM 1107 CZ ARG A 72 -2.870 6.830 -51.395 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -4.075 6.319 -51.626 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -2.555 8.012 -51.910 1.00 2.93 N ATOM 0 H ARG A 72 -0.959 1.278 -50.203 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.298 1.970 -47.515 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.384 4.291 -48.360 1.00 0.92 H new ATOM 0 HB3 ARG A 72 0.649 3.229 -49.296 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -0.401 4.316 -51.012 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -1.516 2.979 -50.816 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -3.179 4.445 -50.450 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -2.381 4.960 -48.977 1.00 1.53 H new ATOM 0 HE ARG A 72 -1.072 6.583 -50.495 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -4.327 5.411 -51.236 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -4.748 6.835 -52.193 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -1.633 8.413 -51.740 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -3.235 8.520 -52.476 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.414 2.175 -48.416 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.781 2.352 -47.928 1.00 0.71 C ATOM 1125 C HIS A 73 -5.072 1.378 -46.793 1.00 0.62 C ATOM 1126 O HIS A 73 -5.569 1.777 -45.743 1.00 0.62 O ATOM 1127 CB HIS A 73 -5.772 2.153 -49.085 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.219 2.326 -48.720 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -7.793 3.553 -48.466 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.213 1.416 -48.591 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.075 3.387 -48.197 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.357 2.101 -48.268 1.00 1.15 N ATOM 0 H HIS A 73 -3.354 1.751 -49.342 1.00 0.68 H new ATOM 0 HA HIS A 73 -4.893 3.364 -47.539 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.526 2.858 -49.879 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.633 1.152 -49.494 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.122 0.347 -48.719 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -9.776 4.173 -47.959 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.274 1.684 -48.109 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.734 0.107 -46.999 1.00 0.60 N ATOM 1142 CA ARG A 74 -4.994 -0.928 -46.003 1.00 0.59 C ATOM 1143 C ARG A 74 -4.202 -0.659 -44.722 1.00 0.51 C ATOM 1144 O ARG A 74 -4.679 -0.929 -43.619 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.657 -2.317 -46.572 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.169 -2.630 -46.618 1.00 0.74 C ATOM 1147 CD ARG A 74 -2.838 -3.681 -47.665 1.00 0.86 C ATOM 1148 NE ARG A 74 -3.550 -4.936 -47.453 1.00 0.88 N ATOM 1149 CZ ARG A 74 -3.287 -6.052 -48.128 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -2.296 -6.085 -49.020 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -4.011 -7.142 -47.909 1.00 1.32 N ATOM 0 H ARG A 74 -4.279 -0.230 -47.847 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.055 -0.907 -45.754 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.157 -3.075 -45.969 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.064 -2.392 -47.581 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -2.613 -1.717 -46.833 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.842 -2.979 -45.639 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -3.083 -3.292 -48.653 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -1.765 -3.872 -47.655 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.289 -4.959 -46.750 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -1.734 -5.251 -49.189 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -2.100 -6.944 -49.534 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.767 -7.123 -47.225 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -3.812 -7.999 -48.425 1.00 1.32 H new ATOM 1165 N LEU A 75 -2.997 -0.110 -44.875 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.167 0.247 -43.730 1.00 0.46 C ATOM 1167 C LEU A 75 -2.795 1.404 -42.966 1.00 0.42 C ATOM 1168 O LEU A 75 -2.967 1.335 -41.747 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.751 0.618 -44.182 1.00 0.51 C ATOM 1170 CG LEU A 75 0.050 -0.519 -44.823 1.00 0.79 C ATOM 1171 CD1 LEU A 75 1.412 -0.021 -45.282 1.00 1.48 C ATOM 1172 CD2 LEU A 75 0.206 -1.677 -43.847 1.00 1.36 C ATOM 0 H LEU A 75 -2.576 0.096 -45.781 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.102 -0.618 -43.070 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.818 1.440 -44.895 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.197 0.989 -43.319 1.00 0.51 H new ATOM 0 HG LEU A 75 -0.497 -0.875 -45.696 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.966 -0.843 -45.735 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.280 0.775 -46.015 1.00 1.48 H new ATOM 0 HD13 LEU A 75 1.967 0.362 -44.426 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.778 -2.476 -44.319 1.00 1.36 H new ATOM 0 HD22 LEU A 75 0.731 -1.333 -42.955 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -0.778 -2.052 -43.567 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.154 2.459 -43.695 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.806 3.620 -43.101 1.00 0.50 C ATOM 1186 C VAL A 76 -5.091 3.213 -42.388 1.00 0.48 C ATOM 1187 O VAL A 76 -5.370 3.685 -41.295 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.110 4.709 -44.160 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -5.049 5.772 -43.611 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.818 5.350 -44.643 1.00 0.82 C ATOM 0 H VAL A 76 -3.003 2.532 -44.701 1.00 0.45 H new ATOM 0 HA VAL A 76 -3.114 4.041 -42.372 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.606 4.226 -45.002 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -5.241 6.520 -44.380 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.989 5.308 -43.313 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.591 6.251 -42.746 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -3.046 6.113 -45.387 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.302 5.808 -43.799 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.179 4.588 -45.089 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.858 2.320 -42.995 1.00 0.48 N ATOM 1201 CA ASN A 77 -7.096 1.847 -42.384 1.00 0.53 C ATOM 1202 C ASN A 77 -6.822 1.133 -41.063 1.00 0.49 C ATOM 1203 O ASN A 77 -7.480 1.395 -40.058 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.844 0.897 -43.327 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.379 1.566 -44.580 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -8.519 0.922 -45.617 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.673 2.857 -44.511 1.00 0.92 N ATOM 0 H ASN A 77 -5.649 1.909 -43.905 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.716 2.723 -42.191 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.174 0.088 -43.617 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.675 0.444 -42.786 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.027 3.344 -45.334 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -8.545 3.363 -43.635 1.00 0.92 H new ATOM 1214 N THR A 78 -5.826 0.256 -41.063 1.00 0.45 N ATOM 1215 CA THR A 78 -5.530 -0.566 -39.896 1.00 0.50 C ATOM 1216 C THR A 78 -5.057 0.289 -38.717 1.00 0.46 C ATOM 1217 O THR A 78 -5.519 0.123 -37.585 1.00 0.50 O ATOM 1218 CB THR A 78 -4.457 -1.622 -40.228 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.881 -2.416 -41.345 1.00 0.62 O ATOM 1220 CG2 THR A 78 -4.193 -2.529 -39.036 1.00 0.69 C ATOM 0 H THR A 78 -5.209 0.095 -41.859 1.00 0.45 H new ATOM 0 HA THR A 78 -6.454 -1.070 -39.613 1.00 0.50 H new ATOM 0 HB THR A 78 -3.534 -1.098 -40.477 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.753 -1.909 -42.174 1.00 0.62 H new ATOM 0 HG21 THR A 78 -3.432 -3.264 -39.299 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.844 -1.931 -38.194 1.00 0.69 H new ATOM 0 HG23 THR A 78 -5.113 -3.043 -38.759 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.150 1.212 -38.999 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.556 2.051 -37.967 1.00 0.45 C ATOM 1230 C ILE A 79 -4.515 3.161 -37.546 1.00 0.45 C ATOM 1231 O ILE A 79 -4.805 3.349 -36.354 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.243 2.679 -38.482 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.289 1.583 -38.960 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.586 3.520 -37.397 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.175 2.094 -39.847 1.00 0.77 C ATOM 0 H ILE A 79 -3.807 1.400 -39.941 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.346 1.421 -37.102 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.478 3.332 -39.322 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -0.853 1.088 -38.092 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.858 0.829 -39.504 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.662 3.953 -37.781 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.263 4.319 -37.096 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.361 2.891 -36.536 1.00 0.59 H new ATOM 0 HD11 ILE A 79 0.462 1.262 -40.147 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -0.602 2.563 -40.734 1.00 0.77 H new ATOM 0 HD13 ILE A 79 0.419 2.826 -39.300 1.00 0.77 H new ATOM 1247 N LEU A 80 -5.034 3.872 -38.531 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.853 5.037 -38.268 1.00 0.52 C ATOM 1249 C LEU A 80 -7.263 4.655 -37.840 1.00 0.56 C ATOM 1250 O LEU A 80 -8.053 5.524 -37.508 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.894 5.987 -39.470 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.648 6.867 -39.660 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.435 6.039 -40.059 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.919 7.950 -40.693 1.00 0.71 C ATOM 0 H LEU A 80 -4.902 3.661 -39.520 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.383 5.565 -37.438 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -6.041 5.396 -40.374 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.764 6.636 -39.369 1.00 0.56 H new ATOM 0 HG LEU A 80 -4.424 7.340 -38.704 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.573 6.694 -40.185 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -3.223 5.306 -39.281 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.639 5.524 -40.998 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -4.028 8.565 -40.817 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -5.176 7.488 -41.646 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.747 8.574 -40.357 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.581 3.367 -37.841 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.854 2.910 -37.296 1.00 0.68 C ATOM 1268 C LYS A 81 -9.033 3.460 -35.880 1.00 0.68 C ATOM 1269 O LYS A 81 -9.942 4.248 -35.621 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.922 1.381 -37.296 1.00 0.77 C ATOM 1271 CG LYS A 81 -10.249 0.813 -36.809 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.418 1.299 -37.654 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.706 0.587 -37.274 1.00 1.56 C ATOM 1274 NZ LYS A 81 -13.885 1.150 -37.981 1.00 1.93 N ATOM 0 H LYS A 81 -6.983 2.627 -38.209 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.664 3.281 -37.924 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.735 1.021 -38.308 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -8.121 0.993 -36.666 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -10.210 -0.276 -36.836 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -10.408 1.101 -35.770 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -11.542 2.374 -37.524 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.203 1.128 -38.709 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -12.616 -0.474 -37.508 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -12.858 0.664 -36.197 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -14.741 0.635 -37.692 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.988 2.156 -37.738 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.753 1.053 -39.008 1.00 1.93 H new ATOM 1288 N GLU A 82 -8.154 3.050 -34.970 1.00 0.69 N ATOM 1289 CA GLU A 82 -8.158 3.595 -33.617 1.00 0.73 C ATOM 1290 C GLU A 82 -7.562 5.002 -33.585 1.00 0.67 C ATOM 1291 O GLU A 82 -7.939 5.819 -32.749 1.00 0.68 O ATOM 1292 CB GLU A 82 -7.394 2.686 -32.649 1.00 0.90 C ATOM 1293 CG GLU A 82 -8.025 1.318 -32.464 1.00 1.53 C ATOM 1294 CD GLU A 82 -7.435 0.567 -31.288 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -6.364 -0.050 -31.449 1.00 2.91 O ATOM 1296 OE2 GLU A 82 -8.039 0.598 -30.192 1.00 2.75 O ATOM 0 H GLU A 82 -7.435 2.347 -35.143 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.198 3.649 -33.296 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -6.374 2.559 -33.013 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -7.327 3.179 -31.679 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -9.099 1.433 -32.317 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -7.888 0.731 -33.372 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.622 5.273 -34.487 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.960 6.574 -34.545 1.00 0.64 C ATOM 1305 C GLU A 83 -6.972 7.716 -34.655 1.00 0.55 C ATOM 1306 O GLU A 83 -6.974 8.646 -33.842 1.00 0.58 O ATOM 1307 CB GLU A 83 -5.056 6.611 -35.757 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.998 7.674 -35.698 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.758 7.179 -34.989 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -2.736 7.190 -33.741 1.00 1.66 O ATOM 1311 OE2 GLU A 83 -1.827 6.715 -35.673 1.00 1.46 O ATOM 0 H GLU A 83 -6.301 4.607 -35.190 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.390 6.706 -33.625 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.574 5.639 -35.868 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.665 6.768 -36.647 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.740 7.989 -36.709 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.389 8.550 -35.181 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.831 7.616 -35.665 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.873 8.612 -35.941 1.00 0.48 C ATOM 1320 C LEU A 84 -9.697 8.945 -34.704 1.00 0.52 C ATOM 1321 O LEU A 84 -10.199 10.053 -34.590 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.824 8.149 -37.051 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.193 7.916 -38.425 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.261 7.577 -39.452 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.388 9.124 -38.871 1.00 0.51 C ATOM 0 H LEU A 84 -7.827 6.837 -36.323 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.343 9.507 -36.266 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.300 7.222 -36.730 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.614 8.892 -37.158 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.510 7.070 -38.342 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.793 7.415 -40.423 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.786 6.672 -39.146 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.971 8.401 -39.524 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.952 8.929 -39.851 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.041 9.994 -38.932 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.592 9.317 -38.151 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.866 7.983 -33.797 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.693 8.194 -32.604 1.00 0.67 C ATOM 1339 C GLN A 85 -10.238 9.435 -31.829 1.00 0.70 C ATOM 1340 O GLN A 85 -11.038 10.088 -31.162 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.654 6.980 -31.668 1.00 0.75 C ATOM 1342 CG GLN A 85 -11.012 5.649 -32.317 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.212 5.731 -33.238 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.358 5.632 -32.798 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.950 5.847 -34.531 1.00 0.72 N ATOM 0 H GLN A 85 -9.446 7.056 -33.862 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.715 8.339 -32.953 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.653 6.901 -31.243 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -11.339 7.158 -30.839 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -10.154 5.287 -32.883 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -11.212 4.915 -31.536 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.985 5.926 -34.851 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.714 5.857 -35.207 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.955 9.767 -31.937 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.392 10.904 -31.213 1.00 0.71 C ATOM 1356 C ASN A 86 -8.485 12.181 -32.038 1.00 0.67 C ATOM 1357 O ASN A 86 -8.188 13.273 -31.549 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.926 10.644 -30.852 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.738 9.415 -29.986 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.813 9.487 -28.762 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.472 8.279 -30.616 1.00 0.87 N ATOM 0 H ASN A 86 -8.285 9.265 -32.519 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.974 11.029 -30.300 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.347 10.528 -31.768 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.526 11.514 -30.330 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -6.321 7.423 -30.082 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.418 8.261 -31.634 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.908 12.044 -33.286 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.947 13.164 -34.211 1.00 0.62 C ATOM 1370 C ILE A 87 -10.389 13.474 -34.591 1.00 0.67 C ATOM 1371 O ILE A 87 -11.226 12.576 -34.662 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.141 12.864 -35.496 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.876 12.068 -35.159 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.778 14.157 -36.211 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -6.017 11.734 -36.358 1.00 0.59 C ATOM 0 H ILE A 87 -9.231 11.161 -33.682 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.498 14.022 -33.711 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.762 12.264 -36.161 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.280 12.639 -34.447 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.165 11.141 -34.663 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.211 13.927 -37.113 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.689 14.691 -36.481 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.174 14.780 -35.552 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -5.142 11.170 -36.033 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.593 11.135 -37.063 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.695 12.656 -36.843 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.689 14.738 -34.815 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.020 15.121 -35.248 1.00 0.80 C ATOM 1389 C HIS A 88 -12.064 15.233 -36.768 1.00 0.76 C ATOM 1390 O HIS A 88 -13.105 15.019 -37.386 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.444 16.439 -34.597 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.873 16.805 -34.857 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -14.924 16.319 -34.110 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.424 17.611 -35.794 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.055 16.810 -34.576 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.782 17.600 -35.599 1.00 1.85 N ATOM 0 H HIS A 88 -10.035 15.513 -34.706 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.723 14.349 -34.934 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.286 16.370 -33.521 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.801 17.239 -34.963 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -13.892 18.162 -36.556 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -17.040 16.601 -34.186 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.467 18.116 -36.152 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.925 15.562 -37.364 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.822 15.660 -38.813 1.00 0.68 C ATOM 1407 C ALA A 89 -9.372 15.528 -39.268 1.00 0.62 C ATOM 1408 O ALA A 89 -8.613 16.497 -39.238 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.415 16.974 -39.307 1.00 0.78 C ATOM 0 H ALA A 89 -10.059 15.766 -36.865 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.392 14.838 -39.246 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.328 17.027 -40.392 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.466 17.028 -39.024 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -10.875 17.808 -38.858 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.983 14.316 -39.642 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.649 14.070 -40.174 1.00 0.47 C ATOM 1417 C PHE A 90 -7.680 14.003 -41.700 1.00 0.48 C ATOM 1418 O PHE A 90 -8.650 13.529 -42.292 1.00 0.63 O ATOM 1419 CB PHE A 90 -7.083 12.761 -39.610 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.680 12.458 -40.064 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.592 13.040 -39.434 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -5.450 11.592 -41.122 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.304 12.763 -39.848 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -4.164 11.313 -41.540 1.00 0.51 C ATOM 1425 CZ PHE A 90 -3.089 11.900 -40.903 1.00 0.49 C ATOM 0 H PHE A 90 -9.574 13.486 -39.587 1.00 0.52 H new ATOM 0 HA PHE A 90 -7.006 14.897 -39.872 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -7.100 12.809 -38.521 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.735 11.938 -39.903 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.753 13.718 -38.609 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -6.287 11.130 -41.625 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.465 13.222 -39.346 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.999 10.636 -42.365 1.00 0.51 H new ATOM 0 HZ PHE A 90 -2.082 11.684 -41.230 1.00 0.49 H new ATOM 1435 N SER A 91 -6.625 14.499 -42.326 1.00 0.44 N ATOM 1436 CA SER A 91 -6.447 14.378 -43.763 1.00 0.48 C ATOM 1437 C SER A 91 -4.971 14.153 -44.075 1.00 0.45 C ATOM 1438 O SER A 91 -4.100 14.641 -43.355 1.00 0.52 O ATOM 1439 CB SER A 91 -6.963 15.632 -44.471 1.00 0.56 C ATOM 1440 OG SER A 91 -8.336 15.848 -44.180 1.00 1.27 O ATOM 0 H SER A 91 -5.870 14.996 -41.853 1.00 0.44 H new ATOM 0 HA SER A 91 -7.020 13.525 -44.126 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.380 16.498 -44.157 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.827 15.529 -45.548 1.00 0.56 H new ATOM 0 HG SER A 91 -8.828 15.995 -45.015 1.00 1.27 H new ATOM 1446 N MET A 92 -4.689 13.401 -45.127 1.00 0.48 N ATOM 1447 CA MET A 92 -3.314 13.075 -45.469 1.00 0.48 C ATOM 1448 C MET A 92 -2.919 13.684 -46.808 1.00 0.53 C ATOM 1449 O MET A 92 -3.691 13.669 -47.772 1.00 0.62 O ATOM 1450 CB MET A 92 -3.095 11.553 -45.492 1.00 0.52 C ATOM 1451 CG MET A 92 -3.834 10.815 -46.606 1.00 0.61 C ATOM 1452 SD MET A 92 -5.626 10.783 -46.381 1.00 0.64 S ATOM 1453 CE MET A 92 -5.762 9.827 -44.871 1.00 0.64 C ATOM 0 H MET A 92 -5.389 13.007 -45.755 1.00 0.48 H new ATOM 0 HA MET A 92 -2.676 13.504 -44.696 1.00 0.48 H new ATOM 0 HB2 MET A 92 -2.028 11.355 -45.591 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.408 11.141 -44.533 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.604 11.289 -47.560 1.00 0.61 H new ATOM 0 HG3 MET A 92 -3.464 9.791 -46.661 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.758 9.390 -44.806 1.00 0.64 H new ATOM 0 HE2 MET A 92 -5.016 9.032 -44.875 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.594 10.477 -44.012 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.721 14.235 -46.851 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.155 14.767 -48.074 1.00 0.59 C ATOM 1465 C LYS A 93 0.017 13.874 -48.478 1.00 0.49 C ATOM 1466 O LYS A 93 1.062 13.899 -47.837 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.677 16.201 -47.814 1.00 0.70 C ATOM 1468 CG LYS A 93 -0.516 17.048 -49.062 1.00 1.14 C ATOM 1469 CD LYS A 93 -1.858 17.470 -49.653 1.00 1.44 C ATOM 1470 CE LYS A 93 -2.590 18.501 -48.790 1.00 1.93 C ATOM 1471 NZ LYS A 93 -3.310 17.888 -47.638 1.00 2.23 N ATOM 0 H LYS A 93 -1.113 14.326 -46.037 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.892 14.785 -48.877 1.00 0.59 H new ATOM 0 HB2 LYS A 93 -1.386 16.691 -47.147 1.00 0.70 H new ATOM 0 HB3 LYS A 93 0.279 16.162 -47.291 1.00 0.70 H new ATOM 0 HG2 LYS A 93 0.068 17.936 -48.822 1.00 1.14 H new ATOM 0 HG3 LYS A 93 0.047 16.488 -49.808 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -1.697 17.885 -50.648 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.490 16.590 -49.773 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -1.871 19.230 -48.416 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -3.303 19.045 -49.409 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -4.243 18.335 -47.534 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -3.432 16.869 -47.807 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -2.758 18.031 -46.768 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.141 13.098 -49.540 1.00 0.56 N ATOM 1486 CA CYS A 94 0.829 12.049 -49.854 1.00 0.54 C ATOM 1487 C CYS A 94 1.808 12.470 -50.944 1.00 0.52 C ATOM 1488 O CYS A 94 1.410 12.925 -52.016 1.00 0.64 O ATOM 1489 CB CYS A 94 0.100 10.764 -50.253 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.207 11.000 -51.479 1.00 1.38 S ATOM 0 H CYS A 94 -0.920 13.170 -50.194 1.00 0.56 H new ATOM 0 HA CYS A 94 1.417 11.867 -48.954 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.828 10.055 -50.647 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.333 10.313 -49.360 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.035 10.167 -52.462 1.00 1.38 H new ATOM 1496 N HIS A 95 3.097 12.307 -50.661 1.00 0.44 N ATOM 1497 CA HIS A 95 4.146 12.657 -51.610 1.00 0.50 C ATOM 1498 C HIS A 95 5.290 11.648 -51.577 1.00 0.44 C ATOM 1499 O HIS A 95 5.469 10.902 -50.603 1.00 0.44 O ATOM 1500 CB HIS A 95 4.693 14.059 -51.324 1.00 0.62 C ATOM 1501 CG HIS A 95 3.778 15.168 -51.738 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.010 15.888 -50.850 1.00 1.36 N ATOM 1503 CD2 HIS A 95 3.530 15.696 -52.958 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.331 16.810 -51.508 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.631 16.718 -52.790 1.00 1.98 N ATOM 0 H HIS A 95 3.440 11.932 -49.777 1.00 0.44 H new ATOM 0 HA HIS A 95 3.699 12.641 -52.604 1.00 0.50 H new ATOM 0 HB2 HIS A 95 4.894 14.148 -50.256 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.646 14.177 -51.839 1.00 0.62 H new ATOM 0 HD2 HIS A 95 3.961 15.372 -53.894 1.00 1.84 H new ATOM 0 HE1 HIS A 95 1.645 17.520 -51.070 1.00 1.65 H new ATOM 0 HE2 HIS A 95 2.256 17.309 -53.532 1.00 1.98 H new ATOM 1514 N THR A 96 6.057 11.639 -52.655 1.00 0.46 N ATOM 1515 CA THR A 96 7.222 10.787 -52.776 1.00 0.49 C ATOM 1516 C THR A 96 8.504 11.593 -52.567 1.00 0.46 C ATOM 1517 O THR A 96 8.549 12.789 -52.870 1.00 0.47 O ATOM 1518 CB THR A 96 7.245 10.118 -54.159 1.00 0.58 C ATOM 1519 OG1 THR A 96 6.529 10.936 -55.094 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.623 8.734 -54.106 1.00 0.65 C ATOM 0 H THR A 96 5.886 12.225 -53.472 1.00 0.46 H new ATOM 0 HA THR A 96 7.166 10.017 -52.006 1.00 0.49 H new ATOM 0 HB THR A 96 8.282 10.012 -54.477 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.094 11.111 -55.875 1.00 0.76 H new ATOM 0 HG21 THR A 96 6.652 8.284 -55.098 1.00 0.65 H new ATOM 0 HG22 THR A 96 7.181 8.111 -53.408 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.588 8.813 -53.774 1.00 0.65 H new ATOM 1528 N PRO A 97 9.559 10.951 -52.035 1.00 0.47 N ATOM 1529 CA PRO A 97 10.838 11.617 -51.754 1.00 0.48 C ATOM 1530 C PRO A 97 11.507 12.172 -53.010 1.00 0.52 C ATOM 1531 O PRO A 97 12.295 13.117 -52.934 1.00 0.54 O ATOM 1532 CB PRO A 97 11.699 10.512 -51.130 1.00 0.53 C ATOM 1533 CG PRO A 97 11.053 9.235 -51.541 1.00 0.72 C ATOM 1534 CD PRO A 97 9.585 9.532 -51.648 1.00 0.51 C ATOM 0 HA PRO A 97 10.700 12.483 -51.106 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.728 10.566 -51.487 1.00 0.53 H new ATOM 0 HB3 PRO A 97 11.733 10.605 -50.044 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.451 8.885 -52.493 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.240 8.449 -50.809 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.100 8.902 -52.393 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.069 9.362 -50.703 1.00 0.51 H new ATOM 1542 N LEU A 98 11.184 11.587 -54.158 1.00 0.60 N ATOM 1543 CA LEU A 98 11.738 12.037 -55.428 1.00 0.71 C ATOM 1544 C LEU A 98 11.318 13.482 -55.693 1.00 0.66 C ATOM 1545 O LEU A 98 12.153 14.346 -55.955 1.00 0.71 O ATOM 1546 CB LEU A 98 11.250 11.117 -56.556 1.00 0.88 C ATOM 1547 CG LEU A 98 12.232 10.891 -57.713 1.00 1.34 C ATOM 1548 CD1 LEU A 98 12.504 12.183 -58.466 1.00 2.08 C ATOM 1549 CD2 LEU A 98 13.530 10.287 -57.192 1.00 1.78 C ATOM 0 H LEU A 98 10.541 10.799 -54.234 1.00 0.60 H new ATOM 0 HA LEU A 98 12.826 11.995 -55.387 1.00 0.71 H new ATOM 0 HB2 LEU A 98 10.999 10.148 -56.124 1.00 0.88 H new ATOM 0 HB3 LEU A 98 10.329 11.533 -56.964 1.00 0.88 H new ATOM 0 HG LEU A 98 11.776 10.191 -58.413 1.00 1.34 H new ATOM 0 HD11 LEU A 98 13.203 11.990 -59.279 1.00 2.08 H new ATOM 0 HD12 LEU A 98 11.570 12.570 -58.874 1.00 2.08 H new ATOM 0 HD13 LEU A 98 12.934 12.917 -57.785 1.00 2.08 H new ATOM 0 HD21 LEU A 98 14.218 10.132 -58.023 1.00 1.78 H new ATOM 0 HD22 LEU A 98 13.982 10.965 -56.468 1.00 1.78 H new ATOM 0 HD23 LEU A 98 13.320 9.331 -56.712 1.00 1.78 H new ATOM 1561 N GLU A 99 10.022 13.740 -55.592 1.00 0.65 N ATOM 1562 CA GLU A 99 9.491 15.081 -55.769 1.00 0.72 C ATOM 1563 C GLU A 99 9.830 15.968 -54.576 1.00 0.64 C ATOM 1564 O GLU A 99 10.052 17.169 -54.730 1.00 0.71 O ATOM 1565 CB GLU A 99 7.973 15.043 -55.982 1.00 0.88 C ATOM 1566 CG GLU A 99 7.555 14.526 -57.352 1.00 1.19 C ATOM 1567 CD GLU A 99 7.369 13.021 -57.407 1.00 1.91 C ATOM 1568 OE1 GLU A 99 8.070 12.288 -56.675 1.00 2.44 O ATOM 1569 OE2 GLU A 99 6.503 12.561 -58.180 1.00 2.69 O ATOM 0 H GLU A 99 9.316 13.033 -55.387 1.00 0.65 H new ATOM 0 HA GLU A 99 9.958 15.506 -56.658 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.524 14.413 -55.214 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.572 16.047 -55.845 1.00 0.88 H new ATOM 0 HG2 GLU A 99 6.622 15.009 -57.643 1.00 1.19 H new ATOM 0 HG3 GLU A 99 8.307 14.817 -58.085 1.00 1.19 H new ATOM 1576 N TYR A 100 9.880 15.370 -53.389 1.00 0.57 N ATOM 1577 CA TYR A 100 10.204 16.110 -52.170 1.00 0.63 C ATOM 1578 C TYR A 100 11.574 16.774 -52.274 1.00 0.66 C ATOM 1579 O TYR A 100 11.753 17.910 -51.833 1.00 0.76 O ATOM 1580 CB TYR A 100 10.158 15.193 -50.942 1.00 0.67 C ATOM 1581 CG TYR A 100 10.718 15.838 -49.690 1.00 0.85 C ATOM 1582 CD1 TYR A 100 10.069 16.908 -49.086 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.905 15.387 -49.127 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.588 17.509 -47.957 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.427 15.980 -47.994 1.00 1.15 C ATOM 1586 CZ TYR A 100 11.767 17.043 -47.415 1.00 1.24 C ATOM 1587 OH TYR A 100 12.288 17.642 -46.292 1.00 1.46 O ATOM 0 H TYR A 100 9.701 14.376 -53.244 1.00 0.57 H new ATOM 0 HA TYR A 100 9.451 16.889 -52.053 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.126 14.895 -50.758 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.719 14.283 -51.156 1.00 0.67 H new ATOM 0 HD1 TYR A 100 9.144 17.275 -49.506 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.428 14.559 -49.583 1.00 0.96 H new ATOM 0 HE1 TYR A 100 10.073 18.341 -47.500 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.347 15.613 -47.564 1.00 1.15 H new ATOM 0 HH TYR A 100 11.712 17.452 -45.523 1.00 1.46 H new ATOM 1597 N ASP A 101 12.533 16.066 -52.863 1.00 0.66 N ATOM 1598 CA ASP A 101 13.880 16.603 -53.045 1.00 0.78 C ATOM 1599 C ASP A 101 13.837 17.908 -53.833 1.00 0.81 C ATOM 1600 O ASP A 101 14.590 18.839 -53.557 1.00 0.93 O ATOM 1601 CB ASP A 101 14.777 15.588 -53.761 1.00 0.88 C ATOM 1602 CG ASP A 101 16.187 16.106 -53.983 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.434 16.742 -55.028 1.00 1.14 O ATOM 1604 OD2 ASP A 101 17.054 15.874 -53.112 1.00 1.23 O ATOM 0 H ASP A 101 12.404 15.120 -53.222 1.00 0.66 H new ATOM 0 HA ASP A 101 14.298 16.803 -52.059 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.820 14.670 -53.175 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.333 15.332 -54.723 1.00 0.88 H new ATOM 1609 N LYS A 102 12.926 17.982 -54.793 1.00 0.75 N ATOM 1610 CA LYS A 102 12.789 19.174 -55.617 1.00 0.84 C ATOM 1611 C LYS A 102 12.212 20.321 -54.799 1.00 0.89 C ATOM 1612 O LYS A 102 12.600 21.472 -54.976 1.00 1.05 O ATOM 1613 CB LYS A 102 11.907 18.904 -56.844 1.00 0.88 C ATOM 1614 CG LYS A 102 12.672 18.489 -58.102 1.00 1.03 C ATOM 1615 CD LYS A 102 12.945 16.987 -58.179 1.00 1.09 C ATOM 1616 CE LYS A 102 13.998 16.524 -57.182 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.311 17.194 -57.379 1.00 2.66 N ATOM 0 H LYS A 102 12.272 17.233 -55.020 1.00 0.75 H new ATOM 0 HA LYS A 102 13.782 19.453 -55.968 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.192 18.120 -56.595 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.331 19.803 -57.065 1.00 0.88 H new ATOM 0 HG2 LYS A 102 12.103 18.793 -58.981 1.00 1.03 H new ATOM 0 HG3 LYS A 102 13.620 19.025 -58.135 1.00 1.03 H new ATOM 0 HD2 LYS A 102 12.017 16.445 -57.998 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.271 16.733 -59.188 1.00 1.09 H new ATOM 0 HE2 LYS A 102 13.644 16.719 -56.170 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.128 15.446 -57.272 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 16.003 16.805 -56.708 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 15.642 17.030 -58.351 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.207 18.216 -57.216 1.00 2.66 H new ATOM 1631 N LEU A 103 11.306 19.990 -53.884 1.00 0.83 N ATOM 1632 CA LEU A 103 10.648 20.988 -53.044 1.00 0.97 C ATOM 1633 C LEU A 103 11.648 21.671 -52.116 1.00 1.12 C ATOM 1634 O LEU A 103 11.623 22.893 -51.947 1.00 1.31 O ATOM 1635 CB LEU A 103 9.532 20.340 -52.222 1.00 0.98 C ATOM 1636 CG LEU A 103 8.442 19.647 -53.042 1.00 0.91 C ATOM 1637 CD1 LEU A 103 7.410 19.012 -52.125 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.779 20.635 -53.991 1.00 1.00 C ATOM 0 H LEU A 103 11.008 19.031 -53.704 1.00 0.83 H new ATOM 0 HA LEU A 103 10.216 21.744 -53.699 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.977 19.609 -51.546 1.00 0.98 H new ATOM 0 HB3 LEU A 103 9.067 21.106 -51.602 1.00 0.98 H new ATOM 0 HG LEU A 103 8.905 18.859 -53.636 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.642 18.523 -52.725 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.896 18.274 -51.486 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.951 19.782 -51.505 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.006 20.125 -54.566 1.00 1.00 H new ATOM 0 HD22 LEU A 103 7.329 21.445 -53.417 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.526 21.044 -54.671 1.00 1.00 H new