USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.25) USER MOD Set 1.2: A 91 SER OG : rot 131:sc= 1.29 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.0287 USER MOD Single : A 26 GLN : amide:sc= -0.794 X(o=-0.79,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.02 (180deg=-0.254) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.853) USER MOD Single : A 34 SER OG : rot 96:sc= 1.21 USER MOD Single : A 35 SER OG : rot 72:sc= 0.747 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= -0.0171 (180deg=-0.134) USER MOD Single : A 40 THR OG1 : rot 160:sc= 0 USER MOD Single : A 54 SER OG : rot 92:sc= 1.23 USER MOD Single : A 61 SER OG : rot 93:sc= 1.13 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.12 F(o=-3.2!,f=-1.1) USER MOD Single : A 63 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.0667 (180deg=-0.384) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.32 USER MOD Single : A 81 LYS NZ :NH3+ 158:sc= 0.712 (180deg=-0.201!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.826 F(o=-2.3!,f=-0.83) USER MOD Single : A 86 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 92 MET CE :methyl -160:sc= -0.156 (180deg=-0.726) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0.77 (180deg=0.569) USER MOD Single : A 94 CYS SG : rot 160:sc= 0.538 USER MOD Single : A 95 HIS : no HD1:sc= -0.33 X(o=-0.33,f=0.073) USER MOD Single : A 96 THR OG1 : rot 95:sc= 1.15 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -179:sc= 0.307 (180deg=0.302) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 2.777 14.746 -26.164 1.00 1.24 N ATOM 359 CA CYS A 24 1.626 15.459 -26.685 1.00 0.95 C ATOM 360 C CYS A 24 0.747 14.484 -27.448 1.00 0.84 C ATOM 361 O CYS A 24 1.255 13.539 -28.051 1.00 0.77 O ATOM 362 CB CYS A 24 2.068 16.602 -27.607 1.00 0.99 C ATOM 363 SG CYS A 24 0.702 17.527 -28.349 1.00 1.71 S ATOM 0 HA CYS A 24 1.066 15.891 -25.856 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.692 17.291 -27.039 1.00 0.99 H new ATOM 0 HB3 CYS A 24 2.689 16.192 -28.403 1.00 0.99 H new ATOM 0 HG CYS A 24 1.178 18.470 -29.107 1.00 1.71 H new ATOM 369 N ILE A 25 -0.561 14.696 -27.406 1.00 0.89 N ATOM 370 CA ILE A 25 -1.494 13.840 -28.126 1.00 0.88 C ATOM 371 C ILE A 25 -1.145 13.785 -29.618 1.00 0.74 C ATOM 372 O ILE A 25 -1.109 12.711 -30.213 1.00 0.71 O ATOM 373 CB ILE A 25 -2.961 14.303 -27.923 1.00 1.05 C ATOM 374 CG1 ILE A 25 -3.928 13.393 -28.690 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.147 15.756 -28.340 1.00 1.09 C ATOM 376 CD1 ILE A 25 -3.929 11.959 -28.201 1.00 1.37 C ATOM 0 H ILE A 25 -1.000 15.453 -26.881 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.403 12.835 -27.715 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.188 14.230 -26.859 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -4.937 13.797 -28.607 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.665 13.407 -29.748 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.185 16.049 -28.185 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.497 16.393 -27.740 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -2.892 15.868 -29.394 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.636 11.374 -28.789 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -2.930 11.537 -28.310 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.222 11.933 -27.151 1.00 1.37 H new ATOM 388 N GLN A 26 -0.837 14.940 -30.202 1.00 0.69 N ATOM 389 CA GLN A 26 -0.470 15.007 -31.612 1.00 0.64 C ATOM 390 C GLN A 26 0.852 14.283 -31.853 1.00 0.56 C ATOM 391 O GLN A 26 1.040 13.635 -32.880 1.00 0.59 O ATOM 392 CB GLN A 26 -0.373 16.465 -32.069 1.00 0.70 C ATOM 393 CG GLN A 26 -0.015 16.622 -33.538 1.00 0.80 C ATOM 394 CD GLN A 26 -0.097 18.059 -34.009 1.00 1.23 C ATOM 395 OE1 GLN A 26 0.123 18.997 -33.245 1.00 1.75 O ATOM 396 NE2 GLN A 26 -0.415 18.241 -35.279 1.00 1.54 N ATOM 0 H GLN A 26 -0.834 15.840 -29.721 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.246 14.512 -32.196 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -1.326 16.960 -31.882 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.376 16.977 -31.465 1.00 0.70 H new ATOM 0 HG2 GLN A 26 0.995 16.247 -33.704 1.00 0.80 H new ATOM 0 HG3 GLN A 26 -0.686 16.008 -34.139 1.00 0.80 H new ATOM 0 HE21 GLN A 26 -0.590 17.437 -35.881 1.00 1.54 H new ATOM 0 HE22 GLN A 26 -0.485 19.186 -35.657 1.00 1.54 H new ATOM 405 N LYS A 27 1.752 14.383 -30.881 1.00 0.56 N ATOM 406 CA LYS A 27 3.052 13.729 -30.966 1.00 0.60 C ATOM 407 C LYS A 27 2.882 12.215 -31.053 1.00 0.58 C ATOM 408 O LYS A 27 3.596 11.544 -31.798 1.00 0.58 O ATOM 409 CB LYS A 27 3.910 14.095 -29.750 1.00 0.75 C ATOM 410 CG LYS A 27 5.331 13.552 -29.805 1.00 1.27 C ATOM 411 CD LYS A 27 6.130 14.195 -30.929 1.00 1.53 C ATOM 412 CE LYS A 27 7.540 13.634 -31.006 1.00 1.93 C ATOM 413 NZ LYS A 27 8.276 13.795 -29.723 1.00 2.50 N ATOM 0 H LYS A 27 1.604 14.913 -30.022 1.00 0.56 H new ATOM 0 HA LYS A 27 3.556 14.075 -31.869 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.951 15.181 -29.661 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.424 13.720 -28.850 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.829 13.735 -28.853 1.00 1.27 H new ATOM 0 HG3 LYS A 27 5.304 12.472 -29.948 1.00 1.27 H new ATOM 0 HD2 LYS A 27 5.620 14.031 -31.878 1.00 1.53 H new ATOM 0 HD3 LYS A 27 6.175 15.273 -30.774 1.00 1.53 H new ATOM 0 HE2 LYS A 27 7.496 12.577 -31.268 1.00 1.93 H new ATOM 0 HE3 LYS A 27 8.087 14.137 -31.803 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 9.284 13.590 -29.873 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 8.168 14.771 -29.381 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 7.890 13.136 -29.017 1.00 2.50 H new ATOM 427 N VAL A 28 1.924 11.693 -30.292 1.00 0.62 N ATOM 428 CA VAL A 28 1.623 10.268 -30.303 1.00 0.68 C ATOM 429 C VAL A 28 1.188 9.831 -31.698 1.00 0.62 C ATOM 430 O VAL A 28 1.708 8.856 -32.239 1.00 0.62 O ATOM 431 CB VAL A 28 0.512 9.914 -29.287 1.00 0.77 C ATOM 432 CG1 VAL A 28 0.206 8.423 -29.316 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.905 10.356 -27.885 1.00 1.04 C ATOM 0 H VAL A 28 1.342 12.240 -29.658 1.00 0.62 H new ATOM 0 HA VAL A 28 2.533 9.740 -30.017 1.00 0.68 H new ATOM 0 HB VAL A 28 -0.393 10.451 -29.573 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -0.578 8.198 -28.593 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -0.128 8.140 -30.314 1.00 1.03 H new ATOM 0 HG13 VAL A 28 1.105 7.862 -29.062 1.00 1.03 H new ATOM 0 HG21 VAL A 28 0.110 10.098 -27.186 1.00 1.04 H new ATOM 0 HG22 VAL A 28 1.826 9.853 -27.590 1.00 1.04 H new ATOM 0 HG23 VAL A 28 1.061 11.435 -27.874 1.00 1.04 H new ATOM 443 N ILE A 29 0.244 10.573 -32.277 1.00 0.60 N ATOM 444 CA ILE A 29 -0.248 10.285 -33.622 1.00 0.57 C ATOM 445 C ILE A 29 0.904 10.297 -34.632 1.00 0.52 C ATOM 446 O ILE A 29 1.075 9.352 -35.408 1.00 0.51 O ATOM 447 CB ILE A 29 -1.352 11.295 -34.065 1.00 0.62 C ATOM 448 CG1 ILE A 29 -2.727 10.923 -33.482 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.443 11.383 -35.587 1.00 0.67 C ATOM 450 CD1 ILE A 29 -2.805 10.935 -31.969 1.00 0.79 C ATOM 0 H ILE A 29 -0.195 11.380 -31.833 1.00 0.60 H new ATOM 0 HA ILE A 29 -0.693 9.290 -33.596 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.064 12.271 -33.673 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.471 11.616 -33.875 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -2.999 9.929 -33.837 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.221 12.094 -35.864 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.486 11.716 -35.990 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.687 10.402 -35.994 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -3.812 10.660 -31.654 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.090 10.220 -31.562 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -2.570 11.933 -31.600 1.00 0.79 H new ATOM 462 N GLU A 30 1.709 11.357 -34.594 1.00 0.53 N ATOM 463 CA GLU A 30 2.799 11.529 -35.547 1.00 0.55 C ATOM 464 C GLU A 30 3.790 10.373 -35.499 1.00 0.55 C ATOM 465 O GLU A 30 4.103 9.774 -36.528 1.00 0.58 O ATOM 466 CB GLU A 30 3.545 12.836 -35.294 1.00 0.64 C ATOM 467 CG GLU A 30 2.731 14.078 -35.599 1.00 0.99 C ATOM 468 CD GLU A 30 3.576 15.334 -35.578 1.00 1.49 C ATOM 469 OE1 GLU A 30 4.817 15.216 -35.480 1.00 1.84 O ATOM 470 OE2 GLU A 30 3.008 16.442 -35.683 1.00 2.20 O ATOM 0 H GLU A 30 1.625 12.110 -33.911 1.00 0.53 H new ATOM 0 HA GLU A 30 2.343 11.553 -36.537 1.00 0.55 H new ATOM 0 HB2 GLU A 30 3.860 12.867 -34.251 1.00 0.64 H new ATOM 0 HB3 GLU A 30 4.451 12.849 -35.901 1.00 0.64 H new ATOM 0 HG2 GLU A 30 2.264 13.973 -36.578 1.00 0.99 H new ATOM 0 HG3 GLU A 30 1.926 14.171 -34.870 1.00 0.99 H new ATOM 477 N ASP A 31 4.279 10.053 -34.308 1.00 0.57 N ATOM 478 CA ASP A 31 5.316 9.036 -34.165 1.00 0.64 C ATOM 479 C ASP A 31 4.757 7.647 -34.457 1.00 0.57 C ATOM 480 O ASP A 31 5.442 6.799 -35.033 1.00 0.61 O ATOM 481 CB ASP A 31 5.927 9.082 -32.762 1.00 0.80 C ATOM 482 CG ASP A 31 7.168 8.211 -32.641 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.023 7.016 -32.319 1.00 1.67 O ATOM 484 OD2 ASP A 31 8.289 8.731 -32.866 1.00 1.17 O ATOM 0 H ASP A 31 3.978 10.479 -33.432 1.00 0.57 H new ATOM 0 HA ASP A 31 6.101 9.249 -34.891 1.00 0.64 H new ATOM 0 HB2 ASP A 31 6.184 10.112 -32.514 1.00 0.80 H new ATOM 0 HB3 ASP A 31 5.184 8.755 -32.034 1.00 0.80 H new ATOM 489 N LYS A 32 3.495 7.434 -34.100 1.00 0.53 N ATOM 490 CA LYS A 32 2.849 6.144 -34.299 1.00 0.55 C ATOM 491 C LYS A 32 2.790 5.786 -35.784 1.00 0.48 C ATOM 492 O LYS A 32 3.163 4.680 -36.181 1.00 0.52 O ATOM 493 CB LYS A 32 1.439 6.168 -33.711 1.00 0.67 C ATOM 494 CG LYS A 32 0.767 4.805 -33.662 1.00 0.97 C ATOM 495 CD LYS A 32 -0.651 4.908 -33.127 1.00 1.09 C ATOM 496 CE LYS A 32 -0.686 5.550 -31.748 1.00 1.51 C ATOM 497 NZ LYS A 32 -2.076 5.770 -31.279 1.00 2.03 N ATOM 0 H LYS A 32 2.899 8.141 -33.670 1.00 0.53 H new ATOM 0 HA LYS A 32 3.439 5.384 -33.787 1.00 0.55 H new ATOM 0 HB2 LYS A 32 1.484 6.576 -32.701 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.822 6.845 -34.301 1.00 0.67 H new ATOM 0 HG2 LYS A 32 0.750 4.369 -34.661 1.00 0.97 H new ATOM 0 HG3 LYS A 32 1.348 4.133 -33.031 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -1.259 5.494 -33.817 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -1.094 3.914 -33.077 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -0.159 4.914 -31.037 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -0.157 6.502 -31.777 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -2.082 5.865 -30.243 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -2.454 6.639 -31.708 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -2.668 4.961 -31.556 1.00 2.03 H new ATOM 511 N LEU A 33 2.333 6.726 -36.604 1.00 0.44 N ATOM 512 CA LEU A 33 2.241 6.487 -38.039 1.00 0.44 C ATOM 513 C LEU A 33 3.628 6.503 -38.677 1.00 0.46 C ATOM 514 O LEU A 33 3.858 5.856 -39.701 1.00 0.51 O ATOM 515 CB LEU A 33 1.293 7.498 -38.714 1.00 0.47 C ATOM 516 CG LEU A 33 1.642 8.985 -38.556 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.669 9.426 -39.588 1.00 0.57 C ATOM 518 CD2 LEU A 33 0.383 9.832 -38.668 1.00 0.55 C ATOM 0 H LEU A 33 2.024 7.651 -36.304 1.00 0.44 H new ATOM 0 HA LEU A 33 1.815 5.495 -38.193 1.00 0.44 H new ATOM 0 HB2 LEU A 33 1.255 7.269 -39.779 1.00 0.47 H new ATOM 0 HB3 LEU A 33 0.290 7.340 -38.318 1.00 0.47 H new ATOM 0 HG LEU A 33 2.081 9.126 -37.568 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.894 10.483 -39.449 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.581 8.842 -39.466 1.00 0.57 H new ATOM 0 HD13 LEU A 33 2.269 9.269 -40.590 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.641 10.885 -38.555 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.076 9.674 -39.644 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.320 9.545 -37.886 1.00 0.55 H new ATOM 530 N SER A 34 4.559 7.217 -38.054 1.00 0.47 N ATOM 531 CA SER A 34 5.928 7.275 -38.547 1.00 0.53 C ATOM 532 C SER A 34 6.646 5.954 -38.295 1.00 0.54 C ATOM 533 O SER A 34 7.466 5.526 -39.100 1.00 0.59 O ATOM 534 CB SER A 34 6.691 8.430 -37.898 1.00 0.60 C ATOM 535 OG SER A 34 6.116 9.676 -38.253 1.00 1.29 O ATOM 0 H SER A 34 4.390 7.762 -37.209 1.00 0.47 H new ATOM 0 HA SER A 34 5.893 7.450 -39.622 1.00 0.53 H new ATOM 0 HB2 SER A 34 6.680 8.315 -36.814 1.00 0.60 H new ATOM 0 HB3 SER A 34 7.735 8.404 -38.211 1.00 0.60 H new ATOM 0 HG SER A 34 5.500 9.965 -37.547 1.00 1.29 H new ATOM 541 N SER A 35 6.324 5.307 -37.185 1.00 0.55 N ATOM 542 CA SER A 35 6.881 3.999 -36.871 1.00 0.62 C ATOM 543 C SER A 35 6.379 2.940 -37.851 1.00 0.59 C ATOM 544 O SER A 35 7.051 1.938 -38.107 1.00 0.65 O ATOM 545 CB SER A 35 6.513 3.601 -35.440 1.00 0.72 C ATOM 546 OG SER A 35 7.079 4.492 -34.499 1.00 0.78 O ATOM 0 H SER A 35 5.677 5.668 -36.484 1.00 0.55 H new ATOM 0 HA SER A 35 7.966 4.062 -36.960 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.429 3.592 -35.330 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.862 2.588 -35.241 1.00 0.72 H new ATOM 0 HG SER A 35 6.611 5.352 -34.541 1.00 0.78 H new ATOM 552 N ALA A 36 5.193 3.169 -38.401 1.00 0.54 N ATOM 553 CA ALA A 36 4.567 2.206 -39.294 1.00 0.57 C ATOM 554 C ALA A 36 4.968 2.436 -40.748 1.00 0.51 C ATOM 555 O ALA A 36 5.468 1.533 -41.409 1.00 0.52 O ATOM 556 CB ALA A 36 3.056 2.267 -39.148 1.00 0.64 C ATOM 0 H ALA A 36 4.646 4.015 -38.243 1.00 0.54 H new ATOM 0 HA ALA A 36 4.918 1.214 -39.011 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.596 1.543 -39.820 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.780 2.034 -38.120 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.706 3.268 -39.399 1.00 0.64 H new ATOM 562 N LEU A 37 4.756 3.653 -41.235 1.00 0.50 N ATOM 563 CA LEU A 37 5.011 3.968 -42.638 1.00 0.53 C ATOM 564 C LEU A 37 6.480 4.308 -42.864 1.00 0.52 C ATOM 565 O LEU A 37 7.023 4.070 -43.943 1.00 0.62 O ATOM 566 CB LEU A 37 4.134 5.142 -43.081 1.00 0.57 C ATOM 567 CG LEU A 37 2.629 4.937 -42.900 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.872 6.198 -43.287 1.00 0.86 C ATOM 569 CD2 LEU A 37 2.146 3.751 -43.723 1.00 0.94 C ATOM 0 H LEU A 37 4.409 4.437 -40.682 1.00 0.50 H new ATOM 0 HA LEU A 37 4.765 3.088 -43.233 1.00 0.53 H new ATOM 0 HB2 LEU A 37 4.433 6.029 -42.522 1.00 0.57 H new ATOM 0 HB3 LEU A 37 4.333 5.346 -44.133 1.00 0.57 H new ATOM 0 HG LEU A 37 2.435 4.725 -41.849 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.803 6.036 -43.153 1.00 0.86 H new ATOM 0 HD12 LEU A 37 2.196 7.025 -42.655 1.00 0.86 H new ATOM 0 HD13 LEU A 37 2.074 6.438 -44.331 1.00 0.86 H new ATOM 0 HD21 LEU A 37 1.073 3.622 -43.580 1.00 0.94 H new ATOM 0 HD22 LEU A 37 2.353 3.932 -44.778 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.666 2.849 -43.401 1.00 0.94 H new ATOM 581 N LYS A 38 7.105 4.857 -41.828 1.00 0.47 N ATOM 582 CA LYS A 38 8.494 5.312 -41.877 1.00 0.52 C ATOM 583 C LYS A 38 8.707 6.321 -43.009 1.00 0.47 C ATOM 584 O LYS A 38 9.200 5.978 -44.087 1.00 0.54 O ATOM 585 CB LYS A 38 9.463 4.131 -42.020 1.00 0.70 C ATOM 586 CG LYS A 38 10.707 4.267 -41.154 1.00 1.32 C ATOM 587 CD LYS A 38 10.360 4.166 -39.673 1.00 1.93 C ATOM 588 CE LYS A 38 11.563 4.431 -38.778 1.00 2.67 C ATOM 589 NZ LYS A 38 12.711 3.544 -39.103 1.00 3.36 N ATOM 0 H LYS A 38 6.660 5.001 -40.922 1.00 0.47 H new ATOM 0 HA LYS A 38 8.706 5.811 -40.932 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.944 3.210 -41.756 1.00 0.70 H new ATOM 0 HB3 LYS A 38 9.763 4.040 -43.064 1.00 0.70 H new ATOM 0 HG2 LYS A 38 11.423 3.488 -41.417 1.00 1.32 H new ATOM 0 HG3 LYS A 38 11.189 5.224 -41.353 1.00 1.32 H new ATOM 0 HD2 LYS A 38 9.571 4.880 -39.438 1.00 1.93 H new ATOM 0 HD3 LYS A 38 9.965 3.172 -39.462 1.00 1.93 H new ATOM 0 HE2 LYS A 38 11.869 5.472 -38.883 1.00 2.67 H new ATOM 0 HE3 LYS A 38 11.278 4.286 -37.736 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 13.441 3.638 -38.368 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 12.386 2.557 -39.144 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 13.110 3.816 -40.024 1.00 3.36 H new ATOM 603 N PRO A 39 8.300 7.578 -42.791 1.00 0.46 N ATOM 604 CA PRO A 39 8.475 8.641 -43.769 1.00 0.47 C ATOM 605 C PRO A 39 9.823 9.344 -43.631 1.00 0.51 C ATOM 606 O PRO A 39 10.587 9.075 -42.702 1.00 0.63 O ATOM 607 CB PRO A 39 7.331 9.594 -43.431 1.00 0.50 C ATOM 608 CG PRO A 39 7.102 9.430 -41.963 1.00 0.54 C ATOM 609 CD PRO A 39 7.622 8.064 -41.576 1.00 0.52 C ATOM 0 HA PRO A 39 8.461 8.272 -44.795 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.591 10.624 -43.676 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.434 9.348 -43.999 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.619 10.210 -41.404 1.00 0.54 H new ATOM 0 HG3 PRO A 39 6.041 9.518 -41.727 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.310 8.124 -40.733 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.811 7.399 -41.279 1.00 0.52 H new ATOM 617 N THR A 40 10.115 10.234 -44.566 1.00 0.52 N ATOM 618 CA THR A 40 11.314 11.051 -44.502 1.00 0.61 C ATOM 619 C THR A 40 10.956 12.488 -44.135 1.00 0.62 C ATOM 620 O THR A 40 11.755 13.211 -43.536 1.00 0.73 O ATOM 621 CB THR A 40 12.075 11.029 -45.841 1.00 0.67 C ATOM 622 OG1 THR A 40 11.160 11.222 -46.929 1.00 0.70 O ATOM 623 CG2 THR A 40 12.816 9.712 -46.021 1.00 0.71 C ATOM 0 H THR A 40 9.532 10.409 -45.384 1.00 0.52 H new ATOM 0 HA THR A 40 11.962 10.633 -43.732 1.00 0.61 H new ATOM 0 HB THR A 40 12.804 11.839 -45.833 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.652 11.524 -47.721 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.346 9.720 -46.974 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.531 9.583 -45.209 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.102 8.888 -46.010 1.00 0.71 H new ATOM 631 N PHE A 41 9.743 12.889 -44.488 1.00 0.54 N ATOM 632 CA PHE A 41 9.245 14.212 -44.147 1.00 0.55 C ATOM 633 C PHE A 41 7.807 14.114 -43.660 1.00 0.48 C ATOM 634 O PHE A 41 7.009 13.353 -44.214 1.00 0.45 O ATOM 635 CB PHE A 41 9.341 15.151 -45.355 1.00 0.57 C ATOM 636 CG PHE A 41 8.876 16.553 -45.072 1.00 0.62 C ATOM 637 CD1 PHE A 41 9.659 17.420 -44.327 1.00 0.69 C ATOM 638 CD2 PHE A 41 7.655 17.004 -45.554 1.00 0.62 C ATOM 639 CE1 PHE A 41 9.236 18.710 -44.067 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.227 18.292 -45.296 1.00 0.70 C ATOM 641 CZ PHE A 41 8.018 19.146 -44.552 1.00 0.75 C ATOM 0 H PHE A 41 9.084 12.314 -45.013 1.00 0.54 H new ATOM 0 HA PHE A 41 9.860 14.624 -43.347 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.375 15.183 -45.697 1.00 0.57 H new ATOM 0 HB3 PHE A 41 8.748 14.739 -46.172 1.00 0.57 H new ATOM 0 HD1 PHE A 41 10.611 17.084 -43.945 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.033 16.341 -46.137 1.00 0.62 H new ATOM 0 HE1 PHE A 41 9.857 19.376 -43.486 1.00 0.76 H new ATOM 0 HE2 PHE A 41 6.275 18.631 -45.676 1.00 0.70 H new ATOM 0 HZ PHE A 41 7.685 20.153 -44.350 1.00 0.75 H new ATOM 651 N LEU A 42 7.489 14.866 -42.615 1.00 0.50 N ATOM 652 CA LEU A 42 6.154 14.853 -42.042 1.00 0.48 C ATOM 653 C LEU A 42 5.751 16.256 -41.600 1.00 0.54 C ATOM 654 O LEU A 42 6.380 16.845 -40.715 1.00 0.64 O ATOM 655 CB LEU A 42 6.098 13.888 -40.853 1.00 0.53 C ATOM 656 CG LEU A 42 4.709 13.668 -40.256 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.782 13.024 -41.279 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.802 12.814 -39.000 1.00 1.55 C ATOM 0 H LEU A 42 8.142 15.494 -42.147 1.00 0.50 H new ATOM 0 HA LEU A 42 5.452 14.514 -42.804 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.496 12.924 -41.169 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.757 14.264 -40.070 1.00 0.53 H new ATOM 0 HG LEU A 42 4.292 14.637 -39.983 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.798 12.875 -40.835 1.00 1.03 H new ATOM 0 HD12 LEU A 42 3.693 13.674 -42.149 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.191 12.061 -41.585 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.805 12.666 -38.586 1.00 1.55 H new ATOM 0 HD22 LEU A 42 5.239 11.847 -39.249 1.00 1.55 H new ATOM 0 HD23 LEU A 42 5.429 13.317 -38.264 1.00 1.55 H new ATOM 670 N GLU A 43 4.718 16.794 -42.223 1.00 0.57 N ATOM 671 CA GLU A 43 4.223 18.114 -41.867 1.00 0.69 C ATOM 672 C GLU A 43 2.738 18.061 -41.542 1.00 0.60 C ATOM 673 O GLU A 43 1.910 17.848 -42.423 1.00 0.53 O ATOM 674 CB GLU A 43 4.470 19.117 -43.000 1.00 0.82 C ATOM 675 CG GLU A 43 3.862 20.488 -42.735 1.00 1.00 C ATOM 676 CD GLU A 43 4.045 21.453 -43.888 1.00 1.62 C ATOM 677 OE1 GLU A 43 3.724 21.089 -45.037 1.00 2.19 O ATOM 678 OE2 GLU A 43 4.506 22.591 -43.649 1.00 2.23 O ATOM 0 H GLU A 43 4.205 16.338 -42.978 1.00 0.57 H new ATOM 0 HA GLU A 43 4.768 18.445 -40.983 1.00 0.69 H new ATOM 0 HB2 GLU A 43 5.544 19.227 -43.151 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.057 18.717 -43.926 1.00 0.82 H new ATOM 0 HG2 GLU A 43 2.797 20.373 -42.531 1.00 1.00 H new ATOM 0 HG3 GLU A 43 4.315 20.912 -41.839 1.00 1.00 H new ATOM 685 N LEU A 44 2.405 18.231 -40.275 1.00 0.67 N ATOM 686 CA LEU A 44 1.012 18.348 -39.879 1.00 0.65 C ATOM 687 C LEU A 44 0.633 19.815 -39.797 1.00 0.64 C ATOM 688 O LEU A 44 1.264 20.594 -39.077 1.00 0.77 O ATOM 689 CB LEU A 44 0.737 17.649 -38.543 1.00 0.82 C ATOM 690 CG LEU A 44 0.611 16.122 -38.613 1.00 0.97 C ATOM 691 CD1 LEU A 44 1.959 15.472 -38.877 1.00 1.27 C ATOM 692 CD2 LEU A 44 -0.009 15.579 -37.337 1.00 1.72 C ATOM 0 H LEU A 44 3.074 18.291 -39.507 1.00 0.67 H new ATOM 0 HA LEU A 44 0.401 17.852 -40.633 1.00 0.65 H new ATOM 0 HB2 LEU A 44 1.540 17.899 -37.850 1.00 0.82 H new ATOM 0 HB3 LEU A 44 -0.184 18.054 -38.123 1.00 0.82 H new ATOM 0 HG LEU A 44 -0.046 15.876 -39.447 1.00 0.97 H new ATOM 0 HD11 LEU A 44 1.839 14.390 -38.921 1.00 1.27 H new ATOM 0 HD12 LEU A 44 2.357 15.832 -39.826 1.00 1.27 H new ATOM 0 HD13 LEU A 44 2.650 15.728 -38.073 1.00 1.27 H new ATOM 0 HD21 LEU A 44 -0.090 14.494 -37.405 1.00 1.72 H new ATOM 0 HD22 LEU A 44 0.619 15.843 -36.486 1.00 1.72 H new ATOM 0 HD23 LEU A 44 -1.001 16.010 -37.203 1.00 1.72 H new ATOM 704 N VAL A 45 -0.391 20.189 -40.538 1.00 0.57 N ATOM 705 CA VAL A 45 -0.808 21.573 -40.612 1.00 0.63 C ATOM 706 C VAL A 45 -2.052 21.799 -39.771 1.00 0.60 C ATOM 707 O VAL A 45 -2.998 21.009 -39.820 1.00 0.56 O ATOM 708 CB VAL A 45 -1.095 21.989 -42.072 1.00 0.73 C ATOM 709 CG1 VAL A 45 -1.589 23.426 -42.147 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.147 21.804 -42.932 1.00 0.90 C ATOM 0 H VAL A 45 -0.952 19.549 -41.100 1.00 0.57 H new ATOM 0 HA VAL A 45 0.007 22.185 -40.225 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.884 21.344 -42.457 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -1.783 23.690 -43.187 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -2.508 23.525 -41.570 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.830 24.093 -41.738 1.00 1.08 H new ATOM 0 HG21 VAL A 45 -0.073 22.102 -43.957 1.00 0.90 H new ATOM 0 HG22 VAL A 45 0.956 22.421 -42.540 1.00 0.90 H new ATOM 0 HG23 VAL A 45 0.449 20.757 -42.915 1.00 0.90 H new ATOM 720 N ASP A 46 -2.025 22.861 -38.978 1.00 0.76 N ATOM 721 CA ASP A 46 -3.181 23.276 -38.202 1.00 0.83 C ATOM 722 C ASP A 46 -4.305 23.683 -39.140 1.00 0.80 C ATOM 723 O ASP A 46 -4.223 24.696 -39.838 1.00 0.99 O ATOM 724 CB ASP A 46 -2.796 24.425 -37.267 1.00 1.16 C ATOM 725 CG ASP A 46 -3.981 25.222 -36.756 1.00 1.38 C ATOM 726 OD1 ASP A 46 -5.025 24.623 -36.433 1.00 1.83 O ATOM 727 OD2 ASP A 46 -3.860 26.464 -36.677 1.00 1.57 O ATOM 0 H ASP A 46 -1.205 23.455 -38.856 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.530 22.445 -37.589 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -2.248 24.020 -36.416 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.118 25.097 -37.793 1.00 1.16 H new ATOM 732 N LYS A 47 -5.340 22.861 -39.165 1.00 0.81 N ATOM 733 CA LYS A 47 -6.433 23.027 -40.099 1.00 1.03 C ATOM 734 C LYS A 47 -7.699 23.408 -39.345 1.00 1.12 C ATOM 735 O LYS A 47 -8.761 22.815 -39.544 1.00 1.66 O ATOM 736 CB LYS A 47 -6.637 21.724 -40.885 1.00 1.36 C ATOM 737 CG LYS A 47 -7.484 21.875 -42.138 1.00 1.85 C ATOM 738 CD LYS A 47 -7.598 20.557 -42.889 1.00 2.14 C ATOM 739 CE LYS A 47 -8.262 20.745 -44.243 1.00 2.34 C ATOM 740 NZ LYS A 47 -8.273 19.490 -45.042 1.00 2.76 N ATOM 0 H LYS A 47 -5.443 22.063 -38.539 1.00 0.81 H new ATOM 0 HA LYS A 47 -6.198 23.825 -40.803 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -5.662 21.326 -41.166 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -7.105 20.988 -40.231 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -8.479 22.229 -41.867 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -7.043 22.630 -42.789 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -6.606 20.127 -43.025 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -8.174 19.847 -42.295 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -9.286 21.091 -44.099 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -7.738 21.523 -44.798 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -8.794 19.647 -45.928 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -7.296 19.209 -45.260 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -8.736 18.735 -44.497 1.00 2.76 H new ATOM 815 N SER A 54 -8.776 20.209 -36.058 1.00 1.25 N ATOM 816 CA SER A 54 -8.532 19.328 -37.189 1.00 1.00 C ATOM 817 C SER A 54 -7.154 19.588 -37.787 1.00 0.82 C ATOM 818 O SER A 54 -6.637 20.702 -37.703 1.00 0.89 O ATOM 819 CB SER A 54 -9.631 19.515 -38.237 1.00 1.14 C ATOM 820 OG SER A 54 -10.073 20.864 -38.287 1.00 1.71 O ATOM 0 HA SER A 54 -8.553 18.294 -36.844 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.257 19.216 -39.216 1.00 1.14 H new ATOM 0 HB3 SER A 54 -10.473 18.863 -38.005 1.00 1.14 H new ATOM 0 HG SER A 54 -9.557 21.352 -38.962 1.00 1.71 H new ATOM 826 N PHE A 55 -6.556 18.559 -38.376 1.00 0.67 N ATOM 827 CA PHE A 55 -5.215 18.680 -38.932 1.00 0.60 C ATOM 828 C PHE A 55 -5.130 18.053 -40.319 1.00 0.52 C ATOM 829 O PHE A 55 -5.777 17.041 -40.598 1.00 0.50 O ATOM 830 CB PHE A 55 -4.185 18.015 -38.012 1.00 0.67 C ATOM 831 CG PHE A 55 -4.036 18.686 -36.675 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.300 19.854 -36.552 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.628 18.147 -35.544 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.158 20.473 -35.324 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.490 18.762 -34.313 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.754 19.925 -34.203 1.00 1.15 C ATOM 0 H PHE A 55 -6.977 17.636 -38.480 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.994 19.744 -39.015 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.471 16.975 -37.855 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -3.217 18.007 -38.513 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.832 20.285 -37.425 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.203 17.237 -35.625 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.583 21.383 -35.240 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -4.957 18.333 -33.439 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.644 20.406 -33.242 1.00 1.15 H new ATOM 846 N ASP A 56 -4.333 18.671 -41.177 1.00 0.51 N ATOM 847 CA ASP A 56 -4.056 18.137 -42.505 1.00 0.52 C ATOM 848 C ASP A 56 -2.572 17.801 -42.588 1.00 0.50 C ATOM 849 O ASP A 56 -1.727 18.690 -42.495 1.00 0.55 O ATOM 850 CB ASP A 56 -4.432 19.164 -43.580 1.00 0.58 C ATOM 851 CG ASP A 56 -4.694 18.538 -44.936 1.00 0.64 C ATOM 852 OD1 ASP A 56 -3.737 18.326 -45.706 1.00 1.23 O ATOM 853 OD2 ASP A 56 -5.878 18.269 -45.249 1.00 1.35 O ATOM 0 H ASP A 56 -3.861 19.553 -40.976 1.00 0.51 H new ATOM 0 HA ASP A 56 -4.649 17.239 -42.676 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -5.321 19.707 -43.260 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -3.628 19.894 -43.673 1.00 0.58 H new ATOM 858 N ALA A 57 -2.252 16.524 -42.718 1.00 0.48 N ATOM 859 CA ALA A 57 -0.868 16.077 -42.628 1.00 0.48 C ATOM 860 C ALA A 57 -0.325 15.599 -43.964 1.00 0.44 C ATOM 861 O ALA A 57 -0.907 14.734 -44.614 1.00 0.46 O ATOM 862 CB ALA A 57 -0.748 14.973 -41.593 1.00 0.51 C ATOM 0 H ALA A 57 -2.928 15.779 -42.886 1.00 0.48 H new ATOM 0 HA ALA A 57 -0.269 16.935 -42.325 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.289 14.644 -41.531 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -1.068 15.349 -40.621 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -1.379 14.133 -41.883 1.00 0.51 H new ATOM 868 N VAL A 58 0.803 16.164 -44.357 1.00 0.42 N ATOM 869 CA VAL A 58 1.499 15.739 -45.560 1.00 0.41 C ATOM 870 C VAL A 58 2.547 14.686 -45.203 1.00 0.39 C ATOM 871 O VAL A 58 3.458 14.947 -44.411 1.00 0.41 O ATOM 872 CB VAL A 58 2.189 16.926 -46.265 1.00 0.48 C ATOM 873 CG1 VAL A 58 2.849 16.478 -47.562 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.190 18.044 -46.531 1.00 0.55 C ATOM 0 H VAL A 58 1.260 16.925 -43.855 1.00 0.42 H new ATOM 0 HA VAL A 58 0.761 15.319 -46.243 1.00 0.41 H new ATOM 0 HB VAL A 58 2.967 17.308 -45.604 1.00 0.48 H new ATOM 0 HG11 VAL A 58 3.328 17.332 -48.040 1.00 0.51 H new ATOM 0 HG12 VAL A 58 3.598 15.716 -47.345 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.094 16.064 -48.231 1.00 0.51 H new ATOM 0 HG21 VAL A 58 1.695 18.872 -47.028 1.00 0.55 H new ATOM 0 HG22 VAL A 58 0.389 17.672 -47.169 1.00 0.55 H new ATOM 0 HG23 VAL A 58 0.771 18.390 -45.586 1.00 0.55 H new ATOM 884 N ILE A 59 2.405 13.501 -45.777 1.00 0.38 N ATOM 885 CA ILE A 59 3.315 12.401 -45.500 1.00 0.40 C ATOM 886 C ILE A 59 4.189 12.110 -46.720 1.00 0.44 C ATOM 887 O ILE A 59 3.689 11.851 -47.819 1.00 0.65 O ATOM 888 CB ILE A 59 2.535 11.132 -45.042 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.466 9.917 -44.857 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.405 10.807 -46.008 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.664 9.063 -46.100 1.00 0.80 C ATOM 0 H ILE A 59 1.664 13.276 -46.441 1.00 0.38 H new ATOM 0 HA ILE A 59 3.970 12.694 -44.680 1.00 0.40 H new ATOM 0 HB ILE A 59 2.100 11.357 -44.069 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.440 10.273 -44.520 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.064 9.288 -44.063 1.00 1.18 H new ATOM 0 HG21 ILE A 59 0.877 9.917 -45.665 1.00 0.77 H new ATOM 0 HG22 ILE A 59 0.711 11.646 -46.052 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.816 10.624 -47.001 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.334 8.234 -45.869 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.702 8.671 -46.429 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.099 9.671 -46.894 1.00 0.80 H new ATOM 903 N VAL A 60 5.498 12.188 -46.519 1.00 0.39 N ATOM 904 CA VAL A 60 6.463 11.902 -47.570 1.00 0.42 C ATOM 905 C VAL A 60 7.272 10.659 -47.209 1.00 0.40 C ATOM 906 O VAL A 60 8.109 10.701 -46.305 1.00 0.44 O ATOM 907 CB VAL A 60 7.418 13.098 -47.784 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.444 12.793 -48.859 1.00 0.58 C ATOM 909 CG2 VAL A 60 6.636 14.354 -48.138 1.00 0.58 C ATOM 0 H VAL A 60 5.918 12.450 -45.627 1.00 0.39 H new ATOM 0 HA VAL A 60 5.916 11.726 -48.496 1.00 0.42 H new ATOM 0 HB VAL A 60 7.949 13.272 -46.848 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.102 13.652 -48.988 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.034 11.925 -48.563 1.00 0.58 H new ATOM 0 HG13 VAL A 60 7.934 12.582 -49.799 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.327 15.184 -48.284 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.072 14.185 -49.056 1.00 0.58 H new ATOM 0 HG23 VAL A 60 5.947 14.594 -47.328 1.00 0.58 H new ATOM 919 N SER A 61 7.013 9.553 -47.902 1.00 0.39 N ATOM 920 CA SER A 61 7.635 8.273 -47.566 1.00 0.42 C ATOM 921 C SER A 61 7.788 7.380 -48.795 1.00 0.42 C ATOM 922 O SER A 61 7.049 7.515 -49.773 1.00 0.43 O ATOM 923 CB SER A 61 6.797 7.548 -46.504 1.00 0.45 C ATOM 924 OG SER A 61 7.280 6.236 -46.267 1.00 0.84 O ATOM 0 H SER A 61 6.378 9.516 -48.699 1.00 0.39 H new ATOM 0 HA SER A 61 8.631 8.481 -47.174 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.815 8.117 -45.574 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.758 7.501 -46.829 1.00 0.45 H new ATOM 0 HG SER A 61 7.916 6.251 -45.522 1.00 0.84 H new ATOM 930 N ASN A 62 8.761 6.469 -48.732 1.00 0.51 N ATOM 931 CA ASN A 62 8.951 5.457 -49.772 1.00 0.57 C ATOM 932 C ASN A 62 7.787 4.478 -49.784 1.00 0.56 C ATOM 933 O ASN A 62 7.571 3.772 -50.766 1.00 0.59 O ATOM 934 CB ASN A 62 10.251 4.665 -49.564 1.00 0.75 C ATOM 935 CG ASN A 62 11.486 5.379 -50.080 1.00 0.86 C ATOM 936 OD1 ASN A 62 11.529 6.689 -49.923 1.00 1.67 O flip ATOM 937 ND2 ASN A 62 12.408 4.745 -50.593 1.00 0.76 N flip ATOM 0 H ASN A 62 9.433 6.412 -47.967 1.00 0.51 H new ATOM 0 HA ASN A 62 9.007 5.987 -50.723 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.377 4.462 -48.500 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.163 3.701 -50.065 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.336 3.733 -50.696 1.00 0.76 H new ATOM 0 HD22 ASN A 62 13.245 5.232 -50.915 1.00 0.76 H new ATOM 944 N ASN A 63 7.045 4.436 -48.687 1.00 0.57 N ATOM 945 CA ASN A 63 5.929 3.505 -48.536 1.00 0.66 C ATOM 946 C ASN A 63 4.937 3.606 -49.704 1.00 0.67 C ATOM 947 O ASN A 63 4.224 2.652 -50.004 1.00 0.86 O ATOM 948 CB ASN A 63 5.208 3.769 -47.209 1.00 0.73 C ATOM 949 CG ASN A 63 4.185 2.701 -46.878 1.00 1.03 C ATOM 950 OD1 ASN A 63 4.505 1.690 -46.253 1.00 1.81 O ATOM 951 ND2 ASN A 63 2.945 2.923 -47.281 1.00 1.00 N ATOM 0 H ASN A 63 7.196 5.041 -47.880 1.00 0.57 H new ATOM 0 HA ASN A 63 6.336 2.494 -48.538 1.00 0.66 H new ATOM 0 HB2 ASN A 63 5.943 3.824 -46.406 1.00 0.73 H new ATOM 0 HB3 ASN A 63 4.713 4.739 -47.256 1.00 0.73 H new ATOM 0 HD21 ASN A 63 2.213 2.243 -47.076 1.00 1.00 H new ATOM 0 HD22 ASN A 63 2.721 3.774 -47.797 1.00 1.00 H new ATOM 958 N PHE A 64 4.905 4.756 -50.374 1.00 0.60 N ATOM 959 CA PHE A 64 3.958 4.971 -51.462 1.00 0.67 C ATOM 960 C PHE A 64 4.629 4.855 -52.841 1.00 0.60 C ATOM 961 O PHE A 64 3.946 4.821 -53.864 1.00 0.65 O ATOM 962 CB PHE A 64 3.291 6.345 -51.303 1.00 0.80 C ATOM 963 CG PHE A 64 2.161 6.595 -52.266 1.00 1.48 C ATOM 964 CD1 PHE A 64 0.974 5.890 -52.157 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.290 7.529 -53.283 1.00 2.11 C ATOM 966 CE1 PHE A 64 -0.065 6.110 -53.042 1.00 2.66 C ATOM 967 CE2 PHE A 64 1.255 7.753 -54.172 1.00 2.95 C ATOM 968 CZ PHE A 64 0.076 7.041 -54.051 1.00 3.19 C ATOM 0 H PHE A 64 5.520 5.547 -50.183 1.00 0.60 H new ATOM 0 HA PHE A 64 3.200 4.189 -51.407 1.00 0.67 H new ATOM 0 HB2 PHE A 64 2.914 6.438 -50.285 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.045 7.121 -51.435 1.00 0.80 H new ATOM 0 HD1 PHE A 64 0.859 5.159 -51.370 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.209 8.088 -53.382 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.986 5.554 -52.944 1.00 2.66 H new ATOM 0 HE2 PHE A 64 1.367 8.483 -54.960 1.00 2.95 H new ATOM 0 HZ PHE A 64 -0.733 7.213 -54.745 1.00 3.19 H new ATOM 978 N GLU A 65 5.957 4.754 -52.876 1.00 0.58 N ATOM 979 CA GLU A 65 6.680 4.756 -54.156 1.00 0.61 C ATOM 980 C GLU A 65 6.481 3.438 -54.898 1.00 0.65 C ATOM 981 O GLU A 65 6.748 3.343 -56.097 1.00 0.75 O ATOM 982 CB GLU A 65 8.181 5.042 -53.952 1.00 0.71 C ATOM 983 CG GLU A 65 8.967 3.912 -53.295 1.00 0.87 C ATOM 984 CD GLU A 65 9.735 3.061 -54.289 1.00 1.55 C ATOM 985 OE1 GLU A 65 9.156 2.109 -54.844 1.00 2.14 O ATOM 986 OE2 GLU A 65 10.932 3.338 -54.514 1.00 2.11 O ATOM 0 H GLU A 65 6.550 4.671 -52.050 1.00 0.58 H new ATOM 0 HA GLU A 65 6.265 5.558 -54.766 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.629 5.261 -54.921 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.285 5.940 -53.343 1.00 0.71 H new ATOM 0 HG2 GLU A 65 9.666 4.336 -52.573 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.279 3.276 -52.737 1.00 0.87 H new ATOM 993 N ASP A 66 5.976 2.437 -54.186 1.00 0.69 N ATOM 994 CA ASP A 66 5.798 1.104 -54.751 1.00 0.84 C ATOM 995 C ASP A 66 4.547 1.057 -55.634 1.00 0.80 C ATOM 996 O ASP A 66 4.203 0.012 -56.189 1.00 0.93 O ATOM 997 CB ASP A 66 5.701 0.074 -53.621 1.00 1.00 C ATOM 998 CG ASP A 66 6.001 -1.338 -54.084 1.00 1.40 C ATOM 999 OD1 ASP A 66 7.152 -1.602 -54.486 1.00 1.94 O ATOM 1000 OD2 ASP A 66 5.099 -2.196 -54.028 1.00 2.03 O ATOM 0 H ASP A 66 5.682 2.524 -53.213 1.00 0.69 H new ATOM 0 HA ASP A 66 6.659 0.864 -55.374 1.00 0.84 H new ATOM 0 HB2 ASP A 66 6.396 0.346 -52.827 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.699 0.106 -53.192 1.00 1.00 H new ATOM 1005 N LYS A 67 3.866 2.208 -55.740 1.00 0.78 N ATOM 1006 CA LYS A 67 2.683 2.372 -56.598 1.00 0.88 C ATOM 1007 C LYS A 67 1.473 1.628 -56.021 1.00 0.78 C ATOM 1008 O LYS A 67 0.386 1.628 -56.601 1.00 0.86 O ATOM 1009 CB LYS A 67 2.984 1.902 -58.035 1.00 1.17 C ATOM 1010 CG LYS A 67 1.896 2.235 -59.047 1.00 1.67 C ATOM 1011 CD LYS A 67 2.200 1.634 -60.410 1.00 2.00 C ATOM 1012 CE LYS A 67 1.068 1.883 -61.393 1.00 2.46 C ATOM 1013 NZ LYS A 67 1.315 1.227 -62.706 1.00 3.31 N ATOM 0 H LYS A 67 4.121 3.054 -55.231 1.00 0.78 H new ATOM 0 HA LYS A 67 2.435 3.433 -56.631 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.920 2.354 -58.364 1.00 1.17 H new ATOM 0 HB3 LYS A 67 3.137 0.823 -58.027 1.00 1.17 H new ATOM 0 HG2 LYS A 67 0.937 1.860 -58.689 1.00 1.67 H new ATOM 0 HG3 LYS A 67 1.801 3.317 -59.138 1.00 1.67 H new ATOM 0 HD2 LYS A 67 3.123 2.063 -60.800 1.00 2.00 H new ATOM 0 HD3 LYS A 67 2.365 0.561 -60.307 1.00 2.00 H new ATOM 0 HE2 LYS A 67 0.134 1.511 -60.972 1.00 2.46 H new ATOM 0 HE3 LYS A 67 0.946 2.956 -61.541 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 0.519 1.422 -63.347 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 2.193 1.600 -63.121 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 1.406 0.200 -62.569 1.00 3.31 H new ATOM 1027 N LYS A 68 1.658 1.014 -54.864 1.00 0.83 N ATOM 1028 CA LYS A 68 0.585 0.278 -54.218 1.00 0.90 C ATOM 1029 C LYS A 68 -0.343 1.235 -53.483 1.00 0.82 C ATOM 1030 O LYS A 68 -0.145 1.532 -52.306 1.00 0.87 O ATOM 1031 CB LYS A 68 1.166 -0.748 -53.243 1.00 1.16 C ATOM 1032 CG LYS A 68 2.113 -1.740 -53.898 1.00 1.35 C ATOM 1033 CD LYS A 68 1.371 -2.761 -54.744 1.00 1.37 C ATOM 1034 CE LYS A 68 0.663 -3.790 -53.879 1.00 1.55 C ATOM 1035 NZ LYS A 68 1.624 -4.637 -53.118 1.00 1.99 N ATOM 0 H LYS A 68 2.541 1.011 -54.353 1.00 0.83 H new ATOM 0 HA LYS A 68 0.010 -0.247 -54.981 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.696 -0.223 -52.448 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.348 -1.295 -52.773 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.827 -1.202 -54.522 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.687 -2.256 -53.128 1.00 1.35 H new ATOM 0 HD2 LYS A 68 0.643 -2.252 -55.376 1.00 1.37 H new ATOM 0 HD3 LYS A 68 2.073 -3.264 -55.409 1.00 1.37 H new ATOM 0 HE2 LYS A 68 -0.002 -3.281 -53.182 1.00 1.55 H new ATOM 0 HE3 LYS A 68 0.040 -4.425 -54.508 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 1.148 -5.507 -52.805 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 2.429 -4.884 -53.729 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 1.968 -4.112 -52.288 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.357 1.713 -54.189 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.316 2.644 -53.615 1.00 0.91 C ATOM 1051 C LEU A 69 -3.193 1.920 -52.604 1.00 0.85 C ATOM 1052 O LEU A 69 -3.363 2.378 -51.474 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.164 3.276 -54.733 1.00 1.16 C ATOM 1054 CG LEU A 69 -4.001 4.507 -54.343 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -4.434 5.260 -55.591 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -5.230 4.112 -53.534 1.00 2.33 C ATOM 0 H LEU A 69 -1.537 1.470 -55.163 1.00 0.84 H new ATOM 0 HA LEU A 69 -1.785 3.443 -53.097 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -2.498 3.560 -55.548 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.838 2.514 -55.123 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.376 5.150 -53.723 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -5.026 6.129 -55.304 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -3.553 5.587 -56.143 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.034 4.604 -56.222 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -5.798 5.006 -53.276 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -5.855 3.443 -54.125 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -4.917 3.604 -52.622 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.727 0.777 -53.015 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.598 -0.024 -52.159 1.00 0.91 C ATOM 1070 C LEU A 70 -3.876 -0.483 -50.893 1.00 0.79 C ATOM 1071 O LEU A 70 -4.489 -0.569 -49.831 1.00 0.80 O ATOM 1072 CB LEU A 70 -5.222 -1.208 -52.943 1.00 1.06 C ATOM 1073 CG LEU A 70 -4.302 -2.345 -53.465 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -3.090 -1.819 -54.222 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.877 -3.284 -52.343 1.00 1.07 C ATOM 0 H LEU A 70 -3.572 0.380 -53.942 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.421 0.612 -51.834 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.975 -1.665 -52.301 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.747 -0.791 -53.803 1.00 1.06 H new ATOM 0 HG LEU A 70 -4.899 -2.916 -54.177 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -2.483 -2.657 -54.564 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.422 -1.237 -55.082 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.496 -1.185 -53.563 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -3.234 -4.066 -52.747 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.332 -2.722 -51.585 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -4.761 -3.737 -51.893 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.576 -0.737 -50.996 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.800 -1.177 -49.842 1.00 0.70 C ATOM 1089 C ASP A 71 -1.561 -0.012 -48.891 1.00 0.63 C ATOM 1090 O ASP A 71 -1.797 -0.119 -47.687 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.471 -1.791 -50.276 1.00 0.77 C ATOM 1092 CG ASP A 71 0.289 -2.391 -49.110 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.187 -3.396 -48.540 1.00 2.08 O ATOM 1094 OD2 ASP A 71 1.365 -1.870 -48.762 1.00 1.58 O ATOM 0 H ASP A 71 -2.041 -0.647 -51.859 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.372 -1.945 -49.321 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -0.656 -2.563 -51.023 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.142 -1.026 -50.753 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.124 1.115 -49.444 1.00 0.67 N ATOM 1100 CA ARG A 72 -0.917 2.324 -48.656 1.00 0.74 C ATOM 1101 C ARG A 72 -2.228 2.735 -47.994 1.00 0.67 C ATOM 1102 O ARG A 72 -2.247 3.226 -46.863 1.00 0.68 O ATOM 1103 CB ARG A 72 -0.386 3.449 -49.556 1.00 0.92 C ATOM 1104 CG ARG A 72 0.186 4.651 -48.807 1.00 1.31 C ATOM 1105 CD ARG A 72 -0.729 5.868 -48.882 1.00 1.53 C ATOM 1106 NE ARG A 72 -1.930 5.713 -48.065 1.00 1.92 N ATOM 1107 CZ ARG A 72 -2.982 6.531 -48.107 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -2.993 7.578 -48.928 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -4.023 6.294 -47.320 1.00 2.93 N ATOM 0 H ARG A 72 -0.906 1.216 -50.435 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.180 2.130 -47.877 1.00 0.74 H new ATOM 0 HB2 ARG A 72 0.389 3.041 -50.205 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -1.195 3.792 -50.201 1.00 0.92 H new ATOM 0 HG2 ARG A 72 0.346 4.383 -47.763 1.00 1.31 H new ATOM 0 HG3 ARG A 72 1.161 4.906 -49.223 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -0.181 6.752 -48.554 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -1.018 6.039 -49.919 1.00 1.53 H new ATOM 0 HE ARG A 72 -1.966 4.925 -47.418 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -2.192 7.761 -49.532 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -3.803 8.198 -48.953 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -4.014 5.492 -46.690 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -4.833 6.914 -47.345 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.321 2.528 -48.715 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.652 2.842 -48.217 1.00 0.71 C ATOM 1125 C HIS A 73 -4.998 1.972 -47.009 1.00 0.62 C ATOM 1126 O HIS A 73 -5.321 2.491 -45.942 1.00 0.62 O ATOM 1127 CB HIS A 73 -5.686 2.648 -49.337 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.088 3.036 -48.966 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -7.599 4.297 -49.174 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.095 2.311 -48.423 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -8.856 4.332 -48.774 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.182 3.140 -48.315 1.00 1.15 N ATOM 0 H HIS A 73 -3.310 2.139 -49.658 1.00 0.68 H new ATOM 0 HA HIS A 73 -4.669 3.884 -47.896 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.378 3.233 -50.203 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.681 1.601 -49.641 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.050 1.273 -48.130 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -9.508 5.192 -48.816 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.094 2.877 -47.941 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.901 0.655 -47.175 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.299 -0.283 -46.126 1.00 0.59 C ATOM 1143 C ARG A 74 -4.415 -0.163 -44.885 1.00 0.51 C ATOM 1144 O ARG A 74 -4.919 -0.214 -43.762 1.00 0.52 O ATOM 1145 CB ARG A 74 -5.291 -1.725 -46.649 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.964 -2.162 -47.245 1.00 0.74 C ATOM 1147 CD ARG A 74 -4.036 -3.573 -47.793 1.00 0.86 C ATOM 1148 NE ARG A 74 -4.194 -4.561 -46.724 1.00 0.88 N ATOM 1149 CZ ARG A 74 -4.703 -5.780 -46.896 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -5.176 -6.147 -48.079 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -4.754 -6.624 -45.871 1.00 1.32 N ATOM 0 H ARG A 74 -4.551 0.213 -48.025 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.316 -0.021 -45.833 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.549 -2.398 -45.831 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -6.069 -1.830 -47.405 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.679 -1.476 -48.042 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -3.186 -2.106 -46.483 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -4.872 -3.651 -48.488 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -3.130 -3.790 -48.359 1.00 0.86 H new ATOM 0 HE ARG A 74 -3.894 -4.298 -45.785 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -5.151 -5.495 -48.863 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -5.565 -7.082 -48.205 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.404 -6.338 -44.957 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -5.143 -7.558 -45.999 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.110 0.011 -45.078 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.187 0.134 -43.952 1.00 0.46 C ATOM 1167 C LEU A 75 -2.549 1.332 -43.085 1.00 0.42 C ATOM 1168 O LEU A 75 -2.745 1.202 -41.874 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.740 0.266 -44.435 1.00 0.51 C ATOM 1170 CG LEU A 75 -0.162 -0.973 -45.122 1.00 0.79 C ATOM 1171 CD1 LEU A 75 1.300 -0.750 -45.471 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.322 -2.196 -44.234 1.00 1.36 C ATOM 0 H LEU A 75 -2.670 0.070 -45.996 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.274 -0.775 -43.357 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.681 1.105 -45.128 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.111 0.514 -43.580 1.00 0.51 H new ATOM 0 HG LEU A 75 -0.713 -1.148 -46.046 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.697 -1.640 -45.959 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.387 0.103 -46.144 1.00 1.48 H new ATOM 0 HD13 LEU A 75 1.865 -0.553 -44.560 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.094 -3.068 -44.738 1.00 1.36 H new ATOM 0 HD22 LEU A 75 0.205 -2.034 -43.294 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -1.380 -2.364 -44.033 1.00 1.36 H new ATOM 1184 N VAL A 76 -2.661 2.494 -43.718 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.011 3.718 -43.011 1.00 0.50 C ATOM 1186 C VAL A 76 -4.388 3.590 -42.363 1.00 0.48 C ATOM 1187 O VAL A 76 -4.574 3.956 -41.205 1.00 0.50 O ATOM 1188 CB VAL A 76 -2.988 4.943 -43.957 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -3.486 6.196 -43.252 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -1.583 5.170 -44.496 1.00 0.82 C ATOM 0 H VAL A 76 -2.514 2.613 -44.720 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.263 3.872 -42.233 1.00 0.50 H new ATOM 0 HB VAL A 76 -3.660 4.733 -44.790 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -3.457 7.038 -43.943 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -4.510 6.040 -42.913 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -2.848 6.409 -42.394 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -1.583 6.035 -45.160 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -0.900 5.350 -43.666 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -1.259 4.288 -45.049 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.337 3.034 -43.105 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.711 2.905 -42.623 1.00 0.53 C ATOM 1202 C ASN A 77 -6.809 1.986 -41.410 1.00 0.49 C ATOM 1203 O ASN A 77 -7.601 2.237 -40.513 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.632 2.387 -43.730 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.171 3.489 -44.629 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -7.415 4.569 -44.784 1.00 1.14 O flip ATOM 1207 ND2 ASN A 77 -9.263 3.369 -45.178 1.00 0.92 N flip ATOM 0 H ASN A 77 -5.183 2.664 -44.043 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.031 3.902 -42.322 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.087 1.665 -44.338 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.469 1.855 -43.278 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.816 2.524 -45.035 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -9.617 4.115 -45.777 1.00 0.92 H new ATOM 1214 N THR A 78 -6.001 0.935 -41.374 1.00 0.45 N ATOM 1215 CA THR A 78 -6.085 -0.041 -40.292 1.00 0.50 C ATOM 1216 C THR A 78 -5.547 0.534 -38.981 1.00 0.46 C ATOM 1217 O THR A 78 -6.164 0.381 -37.925 1.00 0.50 O ATOM 1218 CB THR A 78 -5.318 -1.332 -40.647 1.00 0.57 C ATOM 1219 OG1 THR A 78 -5.846 -1.890 -41.858 1.00 0.62 O ATOM 1220 CG2 THR A 78 -5.419 -2.361 -39.529 1.00 0.69 C ATOM 0 H THR A 78 -5.286 0.736 -42.074 1.00 0.45 H new ATOM 0 HA THR A 78 -7.139 -0.283 -40.159 1.00 0.50 H new ATOM 0 HB THR A 78 -4.267 -1.075 -40.782 1.00 0.57 H new ATOM 0 HG1 THR A 78 -5.511 -1.382 -42.626 1.00 0.62 H new ATOM 0 HG21 THR A 78 -4.868 -3.259 -39.810 1.00 0.69 H new ATOM 0 HG22 THR A 78 -4.995 -1.947 -38.614 1.00 0.69 H new ATOM 0 HG23 THR A 78 -6.466 -2.615 -39.362 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.411 1.212 -39.061 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.773 1.786 -37.881 1.00 0.45 C ATOM 1230 C ILE A 79 -4.494 3.059 -37.446 1.00 0.45 C ATOM 1231 O ILE A 79 -4.892 3.220 -36.278 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.293 2.109 -38.173 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.586 0.854 -38.691 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.599 2.644 -36.923 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.252 1.132 -39.342 1.00 0.77 C ATOM 0 H ILE A 79 -3.909 1.379 -39.933 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.829 1.053 -37.077 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.244 2.884 -38.938 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -1.438 0.163 -37.861 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -2.234 0.354 -39.411 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.557 2.865 -37.152 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.098 3.554 -36.591 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.646 1.895 -36.132 1.00 0.59 H new ATOM 0 HD11 ILE A 79 0.188 0.195 -39.684 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -0.394 1.798 -40.193 1.00 0.77 H new ATOM 0 HD13 ILE A 79 0.414 1.604 -38.620 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.691 3.953 -38.401 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.293 5.238 -38.112 1.00 0.52 C ATOM 1249 C LEU A 80 -6.787 5.108 -37.865 1.00 0.56 C ATOM 1250 O LEU A 80 -7.415 6.064 -37.441 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.019 6.257 -39.224 1.00 0.56 C ATOM 1252 CG LEU A 80 -3.641 6.931 -39.173 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -2.527 5.936 -39.463 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -3.582 8.096 -40.148 1.00 0.71 C ATOM 0 H LEU A 80 -4.442 3.810 -39.380 1.00 0.45 H new ATOM 0 HA LEU A 80 -4.827 5.607 -37.198 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.125 5.757 -40.187 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -5.785 7.031 -39.181 1.00 0.56 H new ATOM 0 HG LEU A 80 -3.493 7.313 -38.163 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -1.564 6.445 -39.419 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.550 5.138 -38.721 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -2.668 5.511 -40.457 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -2.598 8.562 -40.099 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -3.761 7.733 -41.160 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -4.345 8.829 -39.885 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.356 3.932 -38.126 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.744 3.670 -37.757 1.00 0.68 C ATOM 1268 C LYS A 81 -8.946 3.958 -36.281 1.00 0.68 C ATOM 1269 O LYS A 81 -9.714 4.839 -35.912 1.00 0.72 O ATOM 1270 CB LYS A 81 -9.129 2.215 -38.019 1.00 0.77 C ATOM 1271 CG LYS A 81 -10.524 1.866 -37.521 1.00 1.02 C ATOM 1272 CD LYS A 81 -10.564 0.457 -36.962 1.00 0.99 C ATOM 1273 CE LYS A 81 -11.937 0.085 -36.429 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.263 0.804 -35.168 1.00 1.93 N ATOM 0 H LYS A 81 -6.883 3.154 -38.586 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.373 4.318 -38.367 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -9.072 2.018 -39.090 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -8.403 1.561 -37.536 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -10.827 2.575 -36.751 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -11.239 1.957 -38.338 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -10.276 -0.249 -37.741 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -9.829 0.365 -36.162 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -12.692 0.314 -37.182 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -11.978 -0.990 -36.254 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.295 0.826 -35.038 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -11.823 0.312 -34.364 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -11.900 1.777 -35.219 1.00 1.93 H new ATOM 1288 N GLU A 82 -8.231 3.213 -35.446 1.00 0.69 N ATOM 1289 CA GLU A 82 -8.349 3.346 -34.006 1.00 0.73 C ATOM 1290 C GLU A 82 -7.709 4.642 -33.543 1.00 0.67 C ATOM 1291 O GLU A 82 -8.123 5.233 -32.546 1.00 0.68 O ATOM 1292 CB GLU A 82 -7.715 2.147 -33.304 1.00 0.90 C ATOM 1293 CG GLU A 82 -8.666 1.472 -32.334 1.00 1.53 C ATOM 1294 CD GLU A 82 -10.016 1.202 -32.966 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -10.194 0.125 -33.568 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -10.897 2.083 -32.893 1.00 2.91 O ATOM 0 H GLU A 82 -7.560 2.507 -35.748 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.407 3.372 -33.744 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -7.389 1.423 -34.051 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -6.825 2.474 -32.767 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -8.230 0.533 -31.992 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -8.796 2.102 -31.454 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.695 5.068 -34.280 1.00 0.64 N ATOM 1304 CA GLU A 83 -6.032 6.342 -34.035 1.00 0.64 C ATOM 1305 C GLU A 83 -7.026 7.509 -34.059 1.00 0.55 C ATOM 1306 O GLU A 83 -7.033 8.367 -33.172 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.995 6.561 -35.115 1.00 0.70 C ATOM 1308 CG GLU A 83 -4.196 7.813 -34.916 1.00 0.64 C ATOM 1309 CD GLU A 83 -3.081 7.605 -33.914 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -3.375 7.528 -32.703 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -1.918 7.477 -34.334 1.00 1.66 O ATOM 0 H GLU A 83 -6.308 4.542 -35.064 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.572 6.307 -33.047 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.319 5.706 -35.141 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.492 6.604 -36.084 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.775 8.133 -35.869 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.851 8.613 -34.572 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.858 7.510 -35.092 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.863 8.555 -35.327 1.00 0.48 C ATOM 1320 C LEU A 84 -9.724 8.858 -34.107 1.00 0.52 C ATOM 1321 O LEU A 84 -10.173 9.983 -33.946 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.796 8.153 -36.473 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.188 8.207 -37.876 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.209 7.777 -38.917 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.667 9.603 -38.188 1.00 0.51 C ATOM 0 H LEU A 84 -7.859 6.779 -35.803 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.296 9.453 -35.573 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.150 7.138 -36.290 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.670 8.804 -36.451 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.347 7.514 -37.908 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.759 7.822 -39.909 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.531 6.756 -38.711 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -11.070 8.444 -38.879 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -8.240 9.616 -39.191 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.488 10.318 -38.134 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.900 9.876 -37.463 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.962 7.864 -33.262 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.790 8.047 -32.069 1.00 0.67 C ATOM 1339 C GLN A 85 -10.285 9.186 -31.170 1.00 0.70 C ATOM 1340 O GLN A 85 -11.029 9.690 -30.328 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.847 6.739 -31.277 1.00 0.75 C ATOM 1342 CG GLN A 85 -11.944 5.784 -31.728 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.209 5.809 -33.223 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -11.500 4.978 -33.965 1.00 0.92 O flip ATOM 1345 NE2 GLN A 85 -13.046 6.569 -33.705 1.00 0.72 N flip ATOM 0 H GLN A 85 -9.594 6.920 -33.378 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.789 8.325 -32.404 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.884 6.234 -31.361 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -10.994 6.972 -30.222 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -11.672 4.770 -31.435 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -12.866 6.032 -31.202 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -13.574 7.197 -33.099 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -13.213 6.572 -34.711 1.00 0.72 H new ATOM 1354 N ASN A 86 -9.031 9.594 -31.350 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.460 10.683 -30.558 1.00 0.71 C ATOM 1356 C ASN A 86 -8.752 12.042 -31.194 1.00 0.67 C ATOM 1357 O ASN A 86 -8.482 13.086 -30.600 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.946 10.506 -30.403 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.572 9.214 -29.703 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.545 9.142 -28.475 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.258 8.186 -30.477 1.00 0.87 N ATOM 0 H ASN A 86 -8.392 9.189 -32.034 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.927 10.650 -29.574 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.480 10.528 -31.388 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.542 11.348 -29.841 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -5.982 7.298 -30.058 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.292 8.283 -31.492 1.00 0.87 H new ATOM 1368 N ILE A 87 -9.302 12.022 -32.404 1.00 0.61 N ATOM 1369 CA ILE A 87 -9.587 13.246 -33.151 1.00 0.62 C ATOM 1370 C ILE A 87 -11.001 13.186 -33.727 1.00 0.67 C ATOM 1371 O ILE A 87 -11.694 12.182 -33.579 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.591 13.464 -34.320 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -7.313 12.640 -34.115 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -8.255 14.943 -34.457 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -6.249 12.881 -35.163 1.00 0.59 C ATOM 0 H ILE A 87 -9.562 11.165 -32.893 1.00 0.61 H new ATOM 0 HA ILE A 87 -9.487 14.076 -32.452 1.00 0.62 H new ATOM 0 HB ILE A 87 -9.066 13.125 -35.241 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.899 12.869 -33.133 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.572 11.581 -34.113 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.555 15.082 -35.281 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -9.167 15.506 -34.656 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.802 15.300 -33.532 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -5.379 12.262 -34.947 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.642 12.624 -36.147 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.959 13.932 -35.152 1.00 0.59 H new ATOM 1387 N HIS A 88 -11.443 14.265 -34.365 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.726 14.243 -35.064 1.00 0.80 C ATOM 1389 C HIS A 88 -12.534 14.446 -36.565 1.00 0.76 C ATOM 1390 O HIS A 88 -13.447 14.202 -37.351 1.00 0.89 O ATOM 1391 CB HIS A 88 -13.697 15.294 -34.498 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.369 16.714 -34.853 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -13.985 17.395 -35.881 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -12.499 17.586 -34.300 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -13.506 18.621 -35.945 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -12.603 18.764 -34.996 1.00 1.85 N ATOM 0 H HIS A 88 -10.943 15.152 -34.414 1.00 0.71 H new ATOM 0 HA HIS A 88 -13.167 13.260 -34.902 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -14.702 15.068 -34.855 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -13.717 15.202 -33.412 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -11.843 17.392 -33.464 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -13.803 19.379 -36.654 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -12.068 19.612 -34.809 1.00 1.85 H new ATOM 1405 N ALA A 89 -11.342 14.887 -36.958 1.00 0.69 N ATOM 1406 CA ALA A 89 -11.053 15.150 -38.364 1.00 0.68 C ATOM 1407 C ALA A 89 -9.551 15.216 -38.621 1.00 0.62 C ATOM 1408 O ALA A 89 -8.885 16.179 -38.238 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.720 16.443 -38.814 1.00 0.78 C ATOM 0 H ALA A 89 -10.563 15.069 -36.325 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.459 14.322 -38.945 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.493 16.623 -39.865 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.799 16.360 -38.685 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.346 17.273 -38.215 1.00 0.78 H new ATOM 1415 N PHE A 90 -9.024 14.173 -39.243 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.624 14.136 -39.642 1.00 0.47 C ATOM 1417 C PHE A 90 -7.505 13.672 -41.093 1.00 0.48 C ATOM 1418 O PHE A 90 -7.976 12.590 -41.444 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.849 13.196 -38.714 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.389 13.060 -39.047 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.485 14.040 -38.671 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.921 11.945 -39.723 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.143 13.911 -38.967 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.580 11.812 -40.022 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.690 12.797 -39.643 1.00 0.49 C ATOM 0 H PHE A 90 -9.550 13.333 -39.485 1.00 0.52 H new ATOM 0 HA PHE A 90 -7.200 15.137 -39.564 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.944 13.557 -37.690 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.311 12.209 -38.748 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.834 14.914 -38.141 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.613 11.171 -40.019 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.448 14.682 -38.669 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.228 10.939 -40.551 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.640 12.696 -39.875 1.00 0.49 H new ATOM 1435 N SER A 91 -6.896 14.499 -41.932 1.00 0.44 N ATOM 1436 CA SER A 91 -6.709 14.164 -43.337 1.00 0.48 C ATOM 1437 C SER A 91 -5.225 14.055 -43.673 1.00 0.45 C ATOM 1438 O SER A 91 -4.402 14.784 -43.124 1.00 0.52 O ATOM 1439 CB SER A 91 -7.394 15.216 -44.215 1.00 0.56 C ATOM 1440 OG SER A 91 -7.168 16.526 -43.718 1.00 1.27 O ATOM 0 H SER A 91 -6.522 15.409 -41.663 1.00 0.44 H new ATOM 0 HA SER A 91 -7.165 13.194 -43.534 1.00 0.48 H new ATOM 0 HB2 SER A 91 -7.019 15.142 -45.236 1.00 0.56 H new ATOM 0 HB3 SER A 91 -8.465 15.019 -44.254 1.00 0.56 H new ATOM 0 HG SER A 91 -6.859 17.104 -44.447 1.00 1.27 H new ATOM 1446 N MET A 92 -4.884 13.134 -44.567 1.00 0.48 N ATOM 1447 CA MET A 92 -3.494 12.919 -44.946 1.00 0.48 C ATOM 1448 C MET A 92 -3.305 13.074 -46.452 1.00 0.53 C ATOM 1449 O MET A 92 -4.196 12.753 -47.238 1.00 0.62 O ATOM 1450 CB MET A 92 -3.010 11.531 -44.497 1.00 0.52 C ATOM 1451 CG MET A 92 -3.643 10.361 -45.246 1.00 0.61 C ATOM 1452 SD MET A 92 -5.407 10.163 -44.908 1.00 0.64 S ATOM 1453 CE MET A 92 -5.376 9.817 -43.150 1.00 0.64 C ATOM 0 H MET A 92 -5.551 12.525 -45.042 1.00 0.48 H new ATOM 0 HA MET A 92 -2.896 13.678 -44.441 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.928 11.481 -44.621 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.215 11.417 -43.433 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.500 10.505 -46.317 1.00 0.61 H new ATOM 0 HG3 MET A 92 -3.123 9.442 -44.975 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.307 9.331 -42.858 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.537 9.159 -42.923 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.265 10.750 -42.597 1.00 0.64 H new ATOM 1463 N LYS A 93 -2.146 13.589 -46.836 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.785 13.760 -48.239 1.00 0.59 C ATOM 1465 C LYS A 93 -0.449 13.071 -48.492 1.00 0.49 C ATOM 1466 O LYS A 93 0.554 13.421 -47.873 1.00 0.42 O ATOM 1467 CB LYS A 93 -1.676 15.252 -48.579 1.00 0.70 C ATOM 1468 CG LYS A 93 -2.869 16.075 -48.117 1.00 1.14 C ATOM 1469 CD LYS A 93 -4.135 15.726 -48.884 1.00 1.44 C ATOM 1470 CE LYS A 93 -5.372 16.263 -48.182 1.00 1.93 C ATOM 1471 NZ LYS A 93 -5.263 17.716 -47.883 1.00 2.23 N ATOM 0 H LYS A 93 -1.427 13.901 -46.183 1.00 0.52 H new ATOM 0 HA LYS A 93 -2.555 13.316 -48.870 1.00 0.59 H new ATOM 0 HB2 LYS A 93 -0.771 15.654 -48.124 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -1.566 15.362 -49.658 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -3.033 15.909 -47.052 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -2.649 17.135 -48.244 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -4.078 16.139 -49.891 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -4.214 14.644 -48.987 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -6.247 16.087 -48.807 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -5.528 15.714 -47.254 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -6.082 18.016 -47.316 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -4.388 17.896 -47.350 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -5.243 18.253 -48.773 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.428 12.100 -49.392 1.00 0.56 N ATOM 1486 CA CYS A 94 0.759 11.274 -49.583 1.00 0.54 C ATOM 1487 C CYS A 94 1.572 11.693 -50.808 1.00 0.52 C ATOM 1488 O CYS A 94 1.019 11.968 -51.873 1.00 0.64 O ATOM 1489 CB CYS A 94 0.360 9.798 -49.685 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.013 9.468 -50.817 1.00 1.38 S ATOM 0 H CYS A 94 -1.213 11.864 -49.999 1.00 0.56 H new ATOM 0 HA CYS A 94 1.399 11.419 -48.713 1.00 0.54 H new ATOM 0 HB2 CYS A 94 1.227 9.222 -50.008 1.00 0.73 H new ATOM 0 HB3 CYS A 94 0.090 9.438 -48.692 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.000 8.214 -51.161 1.00 1.38 H new ATOM 1496 N HIS A 95 2.884 11.759 -50.628 1.00 0.44 N ATOM 1497 CA HIS A 95 3.823 12.017 -51.716 1.00 0.50 C ATOM 1498 C HIS A 95 5.130 11.287 -51.442 1.00 0.44 C ATOM 1499 O HIS A 95 5.314 10.719 -50.361 1.00 0.44 O ATOM 1500 CB HIS A 95 4.077 13.517 -51.891 1.00 0.62 C ATOM 1501 CG HIS A 95 3.130 14.177 -52.848 1.00 0.95 C ATOM 1502 ND1 HIS A 95 2.063 14.953 -52.446 1.00 1.36 N ATOM 1503 CD2 HIS A 95 3.104 14.182 -54.203 1.00 1.84 C ATOM 1504 CE1 HIS A 95 1.424 15.403 -53.510 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.035 14.952 -54.587 1.00 1.98 N ATOM 0 H HIS A 95 3.331 11.635 -49.720 1.00 0.44 H new ATOM 0 HA HIS A 95 3.386 11.647 -52.644 1.00 0.50 H new ATOM 0 HB2 HIS A 95 3.999 14.006 -50.920 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.098 13.666 -52.242 1.00 0.62 H new ATOM 0 HD2 HIS A 95 3.796 13.674 -54.859 1.00 1.84 H new ATOM 0 HE1 HIS A 95 0.548 16.034 -53.500 1.00 1.65 H new ATOM 0 HE2 HIS A 95 1.758 15.144 -55.550 1.00 1.98 H new ATOM 1514 N THR A 96 6.034 11.296 -52.407 1.00 0.46 N ATOM 1515 CA THR A 96 7.292 10.589 -52.254 1.00 0.49 C ATOM 1516 C THR A 96 8.477 11.553 -52.136 1.00 0.46 C ATOM 1517 O THR A 96 8.391 12.720 -52.535 1.00 0.47 O ATOM 1518 CB THR A 96 7.515 9.586 -53.408 1.00 0.58 C ATOM 1519 OG1 THR A 96 6.765 9.965 -54.569 1.00 0.76 O ATOM 1520 CG2 THR A 96 7.110 8.185 -52.982 1.00 0.65 C ATOM 0 H THR A 96 5.921 11.781 -53.297 1.00 0.46 H new ATOM 0 HA THR A 96 7.231 10.027 -51.322 1.00 0.49 H new ATOM 0 HB THR A 96 8.577 9.596 -53.655 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.333 10.495 -55.166 1.00 0.76 H new ATOM 0 HG21 THR A 96 7.274 7.492 -53.807 1.00 0.65 H new ATOM 0 HG22 THR A 96 7.710 7.877 -52.125 1.00 0.65 H new ATOM 0 HG23 THR A 96 6.055 8.179 -52.707 1.00 0.65 H new ATOM 1528 N PRO A 97 9.599 11.074 -51.562 1.00 0.47 N ATOM 1529 CA PRO A 97 10.797 11.892 -51.332 1.00 0.48 C ATOM 1530 C PRO A 97 11.401 12.407 -52.625 1.00 0.52 C ATOM 1531 O PRO A 97 12.193 13.346 -52.618 1.00 0.54 O ATOM 1532 CB PRO A 97 11.773 10.938 -50.640 1.00 0.53 C ATOM 1533 CG PRO A 97 10.934 9.820 -50.136 1.00 0.72 C ATOM 1534 CD PRO A 97 9.783 9.698 -51.085 1.00 0.51 C ATOM 0 HA PRO A 97 10.564 12.780 -50.744 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.532 10.579 -51.335 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.298 11.435 -49.824 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.505 8.892 -50.096 1.00 0.72 H new ATOM 0 HG3 PRO A 97 10.584 10.022 -49.124 1.00 0.72 H new ATOM 0 HD2 PRO A 97 10.006 9.014 -51.904 1.00 0.51 H new ATOM 0 HD3 PRO A 97 8.889 9.320 -50.588 1.00 0.51 H new ATOM 1542 N LEU A 98 11.034 11.774 -53.726 1.00 0.60 N ATOM 1543 CA LEU A 98 11.450 12.235 -55.041 1.00 0.71 C ATOM 1544 C LEU A 98 10.951 13.658 -55.277 1.00 0.66 C ATOM 1545 O LEU A 98 11.725 14.544 -55.633 1.00 0.71 O ATOM 1546 CB LEU A 98 10.936 11.300 -56.146 1.00 0.88 C ATOM 1547 CG LEU A 98 11.598 9.915 -56.219 1.00 1.34 C ATOM 1548 CD1 LEU A 98 13.113 10.045 -56.228 1.00 2.08 C ATOM 1549 CD2 LEU A 98 11.143 9.019 -55.076 1.00 1.78 C ATOM 0 H LEU A 98 10.448 10.939 -53.736 1.00 0.60 H new ATOM 0 HA LEU A 98 12.539 12.227 -55.076 1.00 0.71 H new ATOM 0 HB2 LEU A 98 9.864 11.161 -56.007 1.00 0.88 H new ATOM 0 HB3 LEU A 98 11.072 11.797 -57.107 1.00 0.88 H new ATOM 0 HG LEU A 98 11.284 9.447 -57.152 1.00 1.34 H new ATOM 0 HD11 LEU A 98 13.563 9.054 -56.280 1.00 2.08 H new ATOM 0 HD12 LEU A 98 13.423 10.630 -57.094 1.00 2.08 H new ATOM 0 HD13 LEU A 98 13.441 10.545 -55.316 1.00 2.08 H new ATOM 0 HD21 LEU A 98 11.631 8.048 -55.159 1.00 1.78 H new ATOM 0 HD22 LEU A 98 11.410 9.479 -54.125 1.00 1.78 H new ATOM 0 HD23 LEU A 98 10.062 8.888 -55.125 1.00 1.78 H new ATOM 1561 N GLU A 99 9.656 13.873 -55.058 1.00 0.65 N ATOM 1562 CA GLU A 99 9.071 15.208 -55.144 1.00 0.72 C ATOM 1563 C GLU A 99 9.718 16.131 -54.121 1.00 0.64 C ATOM 1564 O GLU A 99 10.082 17.267 -54.429 1.00 0.71 O ATOM 1565 CB GLU A 99 7.557 15.165 -54.900 1.00 0.88 C ATOM 1566 CG GLU A 99 6.790 14.330 -55.907 1.00 1.19 C ATOM 1567 CD GLU A 99 6.697 12.882 -55.496 1.00 1.91 C ATOM 1568 OE1 GLU A 99 7.661 12.126 -55.727 1.00 2.69 O ATOM 1569 OE2 GLU A 99 5.656 12.490 -54.933 1.00 2.44 O ATOM 0 H GLU A 99 8.991 13.138 -54.819 1.00 0.65 H new ATOM 0 HA GLU A 99 9.253 15.588 -56.149 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.372 14.770 -53.901 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.168 16.183 -54.917 1.00 0.88 H new ATOM 0 HG2 GLU A 99 5.786 14.738 -56.024 1.00 1.19 H new ATOM 0 HG3 GLU A 99 7.277 14.399 -56.880 1.00 1.19 H new ATOM 1576 N TYR A 100 9.870 15.617 -52.908 1.00 0.57 N ATOM 1577 CA TYR A 100 10.466 16.374 -51.814 1.00 0.63 C ATOM 1578 C TYR A 100 11.874 16.854 -52.167 1.00 0.66 C ATOM 1579 O TYR A 100 12.240 17.990 -51.871 1.00 0.76 O ATOM 1580 CB TYR A 100 10.496 15.512 -50.549 1.00 0.67 C ATOM 1581 CG TYR A 100 11.181 16.163 -49.366 1.00 0.85 C ATOM 1582 CD1 TYR A 100 10.608 17.249 -48.717 1.00 0.98 C ATOM 1583 CD2 TYR A 100 12.396 15.682 -48.894 1.00 0.96 C ATOM 1584 CE1 TYR A 100 11.228 17.838 -47.631 1.00 1.17 C ATOM 1585 CE2 TYR A 100 13.022 16.267 -47.810 1.00 1.15 C ATOM 1586 CZ TYR A 100 12.435 17.343 -47.182 1.00 1.24 C ATOM 1587 OH TYR A 100 13.055 17.923 -46.099 1.00 1.46 O ATOM 0 H TYR A 100 9.586 14.671 -52.655 1.00 0.57 H new ATOM 0 HA TYR A 100 9.854 17.258 -51.635 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.472 15.263 -50.269 1.00 0.67 H new ATOM 0 HB3 TYR A 100 11.002 14.573 -50.775 1.00 0.67 H new ATOM 0 HD1 TYR A 100 9.663 17.639 -49.066 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.859 14.837 -49.382 1.00 0.96 H new ATOM 0 HE1 TYR A 100 10.770 18.682 -47.136 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.967 15.882 -47.457 1.00 1.15 H new ATOM 0 HH TYR A 100 13.895 17.453 -45.913 1.00 1.46 H new ATOM 1597 N ASP A 101 12.650 15.988 -52.812 1.00 0.66 N ATOM 1598 CA ASP A 101 14.031 16.300 -53.173 1.00 0.78 C ATOM 1599 C ASP A 101 14.114 17.533 -54.067 1.00 0.81 C ATOM 1600 O ASP A 101 15.007 18.365 -53.903 1.00 0.93 O ATOM 1601 CB ASP A 101 14.692 15.109 -53.868 1.00 0.88 C ATOM 1602 CG ASP A 101 16.096 15.424 -54.351 1.00 1.07 C ATOM 1603 OD1 ASP A 101 17.026 15.467 -53.518 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.281 15.612 -55.572 1.00 1.14 O ATOM 0 H ASP A 101 12.344 15.058 -53.098 1.00 0.66 H new ATOM 0 HA ASP A 101 14.566 16.515 -52.248 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.729 14.265 -53.179 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.080 14.802 -54.716 1.00 0.88 H new ATOM 1609 N LYS A 102 13.176 17.662 -54.997 1.00 0.75 N ATOM 1610 CA LYS A 102 13.157 18.810 -55.893 1.00 0.84 C ATOM 1611 C LYS A 102 12.889 20.087 -55.107 1.00 0.89 C ATOM 1612 O LYS A 102 13.481 21.135 -55.382 1.00 1.05 O ATOM 1613 CB LYS A 102 12.104 18.641 -56.997 1.00 0.88 C ATOM 1614 CG LYS A 102 12.606 17.949 -58.267 1.00 1.03 C ATOM 1615 CD LYS A 102 12.587 16.427 -58.169 1.00 1.09 C ATOM 1616 CE LYS A 102 13.768 15.875 -57.384 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.066 16.125 -58.059 1.00 2.66 N ATOM 0 H LYS A 102 12.423 16.991 -55.150 1.00 0.75 H new ATOM 0 HA LYS A 102 14.136 18.879 -56.368 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.267 18.069 -56.596 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.719 19.625 -57.265 1.00 0.88 H new ATOM 0 HG2 LYS A 102 11.990 18.260 -59.110 1.00 1.03 H new ATOM 0 HG3 LYS A 102 13.623 18.281 -58.476 1.00 1.03 H new ATOM 0 HD2 LYS A 102 11.659 16.109 -57.693 1.00 1.09 H new ATOM 0 HD3 LYS A 102 12.593 16.002 -59.173 1.00 1.09 H new ATOM 0 HE2 LYS A 102 13.785 16.328 -56.393 1.00 1.86 H new ATOM 0 HE3 LYS A 102 13.636 14.802 -57.242 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 15.836 15.715 -57.493 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 15.057 15.686 -59.002 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.215 17.150 -58.156 1.00 2.66 H new ATOM 1631 N LEU A 103 12.019 19.977 -54.107 1.00 0.83 N ATOM 1632 CA LEU A 103 11.642 21.115 -53.275 1.00 0.97 C ATOM 1633 C LEU A 103 12.832 21.622 -52.465 1.00 1.12 C ATOM 1634 O LEU A 103 13.124 22.818 -52.458 1.00 1.31 O ATOM 1635 CB LEU A 103 10.501 20.727 -52.328 1.00 0.98 C ATOM 1636 CG LEU A 103 9.255 20.150 -53.002 1.00 0.91 C ATOM 1637 CD1 LEU A 103 8.206 19.795 -51.963 1.00 1.01 C ATOM 1638 CD2 LEU A 103 8.688 21.132 -54.017 1.00 1.00 C ATOM 0 H LEU A 103 11.559 19.103 -53.852 1.00 0.83 H new ATOM 0 HA LEU A 103 11.307 21.915 -53.935 1.00 0.97 H new ATOM 0 HB2 LEU A 103 10.878 19.996 -51.613 1.00 0.98 H new ATOM 0 HB3 LEU A 103 10.209 21.609 -51.758 1.00 0.98 H new ATOM 0 HG LEU A 103 9.542 19.241 -53.530 1.00 0.91 H new ATOM 0 HD11 LEU A 103 7.326 19.386 -52.459 1.00 1.01 H new ATOM 0 HD12 LEU A 103 8.612 19.054 -51.275 1.00 1.01 H new ATOM 0 HD13 LEU A 103 7.926 20.690 -51.408 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.802 20.701 -54.484 1.00 1.00 H new ATOM 0 HD22 LEU A 103 8.418 22.060 -53.514 1.00 1.00 H new ATOM 0 HD23 LEU A 103 9.437 21.339 -54.781 1.00 1.00 H new