USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 608 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 32 SER OG : rot -120:sc= 0.618 USER MOD Set 1.2: A 51 TYR OH : rot -58:sc= 1.23 USER MOD Set 1.3: A 55 GLN : amide:sc= 1.69 K(o=3.5,f=1.9) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.208 X(o=1.9,f=2.1) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -122:sc= 1.22 (180deg=0) USER MOD Set 2.3: A 74 ASN : amide:sc= 0.933 K(o=1.9,f=-7!) USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 37 LYS NZ :NH3+ 152:sc= 1.41 (180deg=1.2) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.965) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.12) USER MOD Single : A 29 GLN : amide:sc= 0.884 K(o=0.88,f=-6!) USER MOD Single : A 31 SER OG : rot -56:sc= 0.696 USER MOD Single : A 35 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=-0.55) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -159:sc= -0.02 (180deg=-0.484) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00779 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 2.37 (180deg=2.34) USER MOD Single : A 50 SER OG : rot 127:sc= 1.28 USER MOD Single : A 52 CYS SG : rot 69:sc= -0.188 USER MOD Single : A 53 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 59 MET CE :methyl 169:sc= 0 (180deg=-0.463) USER MOD Single : A 60 ASN : amide:sc= 0.495 X(o=0.49,f=0) USER MOD Single : A 61 SER OG : rot -67:sc= 1.28 USER MOD Single : A 69 GLN : amide:sc= 0.916 K(o=0.92,f=-1.1) USER MOD Single : A 75 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-3.1!) USER MOD Single : A 76 THR OG1 : rot -102:sc= 0.461 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -80:sc= 1.25 USER MOD Single : A 92 GLN : amide:sc= -0.461 K(o=-0.46,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 77.082 11.343 -11.547 1.00 0.00 N ATOM 291 CA TYR A 21 77.397 9.917 -11.548 1.00 0.00 C ATOM 292 C TYR A 21 76.242 9.087 -10.999 1.00 0.00 C ATOM 293 O TYR A 21 75.833 9.250 -9.846 1.00 0.00 O ATOM 294 CB TYR A 21 78.643 9.648 -10.709 1.00 0.00 C ATOM 295 CG TYR A 21 79.858 9.275 -11.515 1.00 0.00 C ATOM 296 CD1 TYR A 21 80.677 10.250 -12.065 1.00 0.00 C ATOM 297 CD2 TYR A 21 80.194 7.943 -11.717 1.00 0.00 C ATOM 298 CE1 TYR A 21 81.798 9.911 -12.795 1.00 0.00 C ATOM 299 CE2 TYR A 21 81.312 7.594 -12.448 1.00 0.00 C ATOM 300 CZ TYR A 21 82.112 8.580 -12.983 1.00 0.00 C ATOM 301 OH TYR A 21 83.230 8.235 -13.705 1.00 0.00 O ATOM 0 HA TYR A 21 77.575 9.626 -12.583 1.00 0.00 H new ATOM 0 HB2 TYR A 21 78.870 10.536 -10.120 1.00 0.00 H new ATOM 0 HB3 TYR A 21 78.427 8.845 -10.004 1.00 0.00 H new ATOM 0 HD1 TYR A 21 80.433 11.292 -11.920 1.00 0.00 H new ATOM 0 HD2 TYR A 21 79.571 7.168 -11.296 1.00 0.00 H new ATOM 0 HE1 TYR A 21 82.426 10.682 -13.217 1.00 0.00 H new ATOM 0 HE2 TYR A 21 81.558 6.553 -12.600 1.00 0.00 H new ATOM 0 HH TYR A 21 83.307 7.259 -13.742 1.00 0.00 H new ATOM 311 N ILE A 22 75.729 8.185 -11.825 1.00 0.00 N ATOM 312 CA ILE A 22 74.632 7.315 -11.418 1.00 0.00 C ATOM 313 C ILE A 22 75.172 5.985 -10.889 1.00 0.00 C ATOM 314 O ILE A 22 75.103 4.959 -11.565 1.00 0.00 O ATOM 315 CB ILE A 22 73.645 7.051 -12.578 1.00 0.00 C ATOM 316 CG1 ILE A 22 74.017 7.888 -13.812 1.00 0.00 C ATOM 317 CG2 ILE A 22 72.223 7.358 -12.129 1.00 0.00 C ATOM 318 CD1 ILE A 22 73.021 7.790 -14.949 1.00 0.00 C ATOM 0 H ILE A 22 76.054 8.036 -12.780 1.00 0.00 H new ATOM 0 HA ILE A 22 74.090 7.830 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 22 73.706 5.999 -12.856 1.00 0.00 H new ATOM 0 HG12 ILE A 22 74.111 8.932 -13.514 1.00 0.00 H new ATOM 0 HG13 ILE A 22 74.995 7.570 -14.172 1.00 0.00 H new ATOM 0 HG21 ILE A 22 71.533 7.170 -12.952 1.00 0.00 H new ATOM 0 HG22 ILE A 22 71.963 6.721 -11.284 1.00 0.00 H new ATOM 0 HG23 ILE A 22 72.154 8.404 -11.830 1.00 0.00 H new ATOM 0 HD11 ILE A 22 73.356 8.409 -15.781 1.00 0.00 H new ATOM 0 HD12 ILE A 22 72.944 6.753 -15.277 1.00 0.00 H new ATOM 0 HD13 ILE A 22 72.045 8.137 -14.609 1.00 0.00 H new ATOM 330 N LYS A 23 75.711 6.031 -9.671 1.00 0.00 N ATOM 331 CA LYS A 23 76.295 4.853 -9.022 1.00 0.00 C ATOM 332 C LYS A 23 75.247 3.776 -8.733 1.00 0.00 C ATOM 333 O LYS A 23 74.125 4.075 -8.325 1.00 0.00 O ATOM 334 CB LYS A 23 76.989 5.261 -7.719 1.00 0.00 C ATOM 335 CG LYS A 23 77.819 6.533 -7.832 1.00 0.00 C ATOM 336 CD LYS A 23 77.670 7.411 -6.598 1.00 0.00 C ATOM 337 CE LYS A 23 77.847 8.882 -6.936 1.00 0.00 C ATOM 338 NZ LYS A 23 76.546 9.550 -7.218 1.00 0.00 N ATOM 0 H LYS A 23 75.756 6.880 -9.107 1.00 0.00 H new ATOM 0 HA LYS A 23 77.024 4.429 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.234 5.399 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 23 77.635 4.446 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.868 6.272 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 23 77.511 7.092 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.686 7.254 -6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 23 78.407 7.117 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 23 78.342 9.388 -6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 23 78.500 8.979 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 76.662 10.581 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 76.232 9.306 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 75.835 9.230 -6.530 1.00 0.00 H new ATOM 352 N LEU A 24 75.635 2.520 -8.930 1.00 0.00 N ATOM 353 CA LEU A 24 74.738 1.391 -8.695 1.00 0.00 C ATOM 354 C LEU A 24 74.904 0.825 -7.283 1.00 0.00 C ATOM 355 O LEU A 24 75.973 0.935 -6.676 1.00 0.00 O ATOM 356 CB LEU A 24 74.991 0.293 -9.733 1.00 0.00 C ATOM 357 CG LEU A 24 74.236 0.464 -11.053 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.164 0.984 -12.139 1.00 0.00 C ATOM 359 CD2 LEU A 24 73.600 -0.851 -11.476 1.00 0.00 C ATOM 0 H LEU A 24 76.566 2.257 -9.252 1.00 0.00 H new ATOM 0 HA LEU A 24 73.714 1.753 -8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.059 0.254 -9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.717 -0.668 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 24 73.444 1.197 -10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.607 1.098 -13.069 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.571 1.950 -11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.980 0.277 -12.289 1.00 0.00 H new ATOM 0 HD21 LEU A 24 73.067 -0.711 -12.417 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.376 -1.605 -11.607 1.00 0.00 H new ATOM 0 HD23 LEU A 24 72.900 -1.180 -10.708 1.00 0.00 H new ATOM 371 N LYS A 25 73.838 0.216 -6.770 1.00 0.00 N ATOM 372 CA LYS A 25 73.851 -0.361 -5.427 1.00 0.00 C ATOM 373 C LYS A 25 73.352 -1.807 -5.440 1.00 0.00 C ATOM 374 O LYS A 25 72.289 -2.102 -5.980 1.00 0.00 O ATOM 375 CB LYS A 25 72.982 0.484 -4.490 1.00 0.00 C ATOM 376 CG LYS A 25 72.909 -0.049 -3.066 1.00 0.00 C ATOM 377 CD LYS A 25 71.610 0.358 -2.381 1.00 0.00 C ATOM 378 CE LYS A 25 71.653 1.803 -1.907 1.00 0.00 C ATOM 379 NZ LYS A 25 70.985 1.973 -0.588 1.00 0.00 N ATOM 0 H LYS A 25 72.952 0.109 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 25 74.880 -0.362 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.373 1.501 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.973 0.540 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 25 72.989 -1.136 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.757 0.326 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.777 0.226 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.426 -0.299 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 25 72.690 2.131 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 25 71.168 2.442 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 71.123 2.947 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 69.968 1.782 -0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.397 1.309 0.098 1.00 0.00 H new ATOM 393 N VAL A 26 74.126 -2.708 -4.844 1.00 0.00 N ATOM 394 CA VAL A 26 73.742 -4.120 -4.786 1.00 0.00 C ATOM 395 C VAL A 26 73.507 -4.562 -3.338 1.00 0.00 C ATOM 396 O VAL A 26 74.358 -4.357 -2.470 1.00 0.00 O ATOM 397 CB VAL A 26 74.809 -5.034 -5.434 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.270 -6.443 -5.614 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.266 -4.470 -6.771 1.00 0.00 C ATOM 0 H VAL A 26 75.017 -2.491 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 26 72.815 -4.219 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 26 75.669 -5.073 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.036 -7.070 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 26 73.996 -6.855 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.391 -6.417 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 26 76.016 -5.130 -7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.413 -4.395 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.697 -3.480 -6.620 1.00 0.00 H new ATOM 409 N ILE A 27 72.344 -5.164 -3.088 1.00 0.00 N ATOM 410 CA ILE A 27 71.990 -5.626 -1.747 1.00 0.00 C ATOM 411 C ILE A 27 72.116 -7.149 -1.630 1.00 0.00 C ATOM 412 O ILE A 27 71.429 -7.897 -2.330 1.00 0.00 O ATOM 413 CB ILE A 27 70.550 -5.201 -1.364 1.00 0.00 C ATOM 414 CG1 ILE A 27 70.448 -3.673 -1.264 1.00 0.00 C ATOM 415 CG2 ILE A 27 70.116 -5.851 -0.053 1.00 0.00 C ATOM 416 CD1 ILE A 27 71.272 -3.073 -0.143 1.00 0.00 C ATOM 0 H ILE A 27 71.632 -5.343 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 27 72.692 -5.158 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 27 69.878 -5.544 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.767 -3.235 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 27 69.403 -3.397 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 27 69.102 -5.535 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.143 -6.936 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.793 -5.547 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 27 71.147 -1.990 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 27 70.939 -3.481 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 27 72.324 -3.316 -0.294 1.00 0.00 H new ATOM 428 N GLY A 28 72.999 -7.599 -0.744 1.00 0.00 N ATOM 429 CA GLY A 28 73.198 -9.027 -0.545 1.00 0.00 C ATOM 430 C GLY A 28 72.338 -9.589 0.578 1.00 0.00 C ATOM 431 O GLY A 28 71.889 -8.853 1.458 1.00 0.00 O ATOM 0 H GLY A 28 73.582 -7.001 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 28 72.969 -9.554 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.248 -9.216 -0.322 1.00 0.00 H new ATOM 435 N GLN A 29 72.126 -10.907 0.559 1.00 0.00 N ATOM 436 CA GLN A 29 71.306 -11.577 1.582 1.00 0.00 C ATOM 437 C GLN A 29 71.954 -11.524 2.969 1.00 0.00 C ATOM 438 O GLN A 29 71.275 -11.668 3.986 1.00 0.00 O ATOM 439 CB GLN A 29 71.045 -13.038 1.197 1.00 0.00 C ATOM 440 CG GLN A 29 70.596 -13.225 -0.242 1.00 0.00 C ATOM 441 CD GLN A 29 69.245 -13.902 -0.350 1.00 0.00 C ATOM 442 OE1 GLN A 29 69.144 -15.045 -0.788 1.00 0.00 O ATOM 443 NE2 GLN A 29 68.196 -13.203 0.049 1.00 0.00 N ATOM 0 H GLN A 29 72.508 -11.534 -0.150 1.00 0.00 H new ATOM 0 HA GLN A 29 70.361 -11.036 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 29 71.955 -13.615 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 29 70.284 -13.448 1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 29 70.551 -12.253 -0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 29 71.339 -13.818 -0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 29 68.320 -12.256 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 29 67.262 -13.611 -0.001 1.00 0.00 H new ATOM 452 N ASP A 30 73.268 -11.306 3.009 1.00 0.00 N ATOM 453 CA ASP A 30 73.998 -11.231 4.276 1.00 0.00 C ATOM 454 C ASP A 30 73.978 -9.809 4.857 1.00 0.00 C ATOM 455 O ASP A 30 74.893 -9.418 5.584 1.00 0.00 O ATOM 456 CB ASP A 30 75.443 -11.701 4.082 1.00 0.00 C ATOM 457 CG ASP A 30 75.581 -13.209 4.183 1.00 0.00 C ATOM 458 OD1 ASP A 30 74.845 -13.821 4.985 1.00 0.00 O ATOM 459 OD2 ASP A 30 76.426 -13.776 3.461 1.00 0.00 O ATOM 0 H ASP A 30 73.849 -11.178 2.180 1.00 0.00 H new ATOM 0 HA ASP A 30 73.498 -11.889 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.801 -11.371 3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 30 76.079 -11.230 4.832 1.00 0.00 H new ATOM 464 N SER A 31 72.936 -9.041 4.513 1.00 0.00 N ATOM 465 CA SER A 31 72.772 -7.659 4.990 1.00 0.00 C ATOM 466 C SER A 31 73.971 -6.784 4.617 1.00 0.00 C ATOM 467 O SER A 31 74.431 -5.962 5.411 1.00 0.00 O ATOM 468 CB SER A 31 72.551 -7.634 6.508 1.00 0.00 C ATOM 469 OG SER A 31 72.289 -6.319 6.966 1.00 0.00 O ATOM 0 H SER A 31 72.185 -9.357 3.899 1.00 0.00 H new ATOM 0 HA SER A 31 71.892 -7.247 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 31 71.716 -8.285 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 31 73.432 -8.029 7.013 1.00 0.00 H new ATOM 0 HG SER A 31 73.020 -5.726 6.693 1.00 0.00 H new ATOM 475 N SER A 32 74.467 -6.960 3.398 1.00 0.00 N ATOM 476 CA SER A 32 75.614 -6.191 2.922 1.00 0.00 C ATOM 477 C SER A 32 75.235 -5.301 1.742 1.00 0.00 C ATOM 478 O SER A 32 74.642 -5.763 0.766 1.00 0.00 O ATOM 479 CB SER A 32 76.756 -7.128 2.517 1.00 0.00 C ATOM 480 OG SER A 32 76.539 -8.450 2.990 1.00 0.00 O ATOM 0 H SER A 32 74.095 -7.626 2.721 1.00 0.00 H new ATOM 0 HA SER A 32 75.945 -5.553 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.850 -7.140 1.431 1.00 0.00 H new ATOM 0 HB3 SER A 32 77.697 -6.748 2.914 1.00 0.00 H new ATOM 0 HG SER A 32 77.275 -8.710 3.583 1.00 0.00 H new ATOM 486 N GLU A 33 75.580 -4.021 1.843 1.00 0.00 N ATOM 487 CA GLU A 33 75.286 -3.056 0.789 1.00 0.00 C ATOM 488 C GLU A 33 76.574 -2.541 0.149 1.00 0.00 C ATOM 489 O GLU A 33 77.364 -1.848 0.791 1.00 0.00 O ATOM 490 CB GLU A 33 74.475 -1.883 1.359 1.00 0.00 C ATOM 491 CG GLU A 33 74.263 -0.745 0.371 1.00 0.00 C ATOM 492 CD GLU A 33 73.865 0.553 1.048 1.00 0.00 C ATOM 493 OE1 GLU A 33 72.647 0.785 1.219 1.00 0.00 O ATOM 494 OE2 GLU A 33 74.768 1.339 1.403 1.00 0.00 O ATOM 0 H GLU A 33 76.066 -3.627 2.648 1.00 0.00 H new ATOM 0 HA GLU A 33 74.697 -3.557 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.503 -2.251 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.985 -1.496 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 33 75.180 -0.587 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.490 -1.029 -0.343 1.00 0.00 H new ATOM 501 N ILE A 34 76.789 -2.888 -1.115 1.00 0.00 N ATOM 502 CA ILE A 34 77.990 -2.454 -1.828 1.00 0.00 C ATOM 503 C ILE A 34 77.658 -1.394 -2.881 1.00 0.00 C ATOM 504 O ILE A 34 76.768 -1.583 -3.713 1.00 0.00 O ATOM 505 CB ILE A 34 78.722 -3.631 -2.518 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.555 -4.933 -1.716 1.00 0.00 C ATOM 507 CG2 ILE A 34 80.197 -3.299 -2.708 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.376 -4.986 -0.440 1.00 0.00 C ATOM 0 H ILE A 34 76.153 -3.465 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 34 78.651 -2.028 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 34 78.272 -3.784 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 34 77.502 -5.059 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 34 78.833 -5.775 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.699 -4.136 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.292 -2.408 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.657 -3.115 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.201 -5.936 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 34 80.434 -4.894 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 34 79.082 -4.166 0.216 1.00 0.00 H new ATOM 520 N HIS A 35 78.375 -0.275 -2.827 1.00 0.00 N ATOM 521 CA HIS A 35 78.169 0.820 -3.773 1.00 0.00 C ATOM 522 C HIS A 35 79.359 0.941 -4.724 1.00 0.00 C ATOM 523 O HIS A 35 80.505 1.051 -4.286 1.00 0.00 O ATOM 524 CB HIS A 35 77.962 2.139 -3.025 1.00 0.00 C ATOM 525 CG HIS A 35 76.663 2.812 -3.341 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.488 3.645 -4.425 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.468 2.774 -2.707 1.00 0.00 C ATOM 528 CE1 HIS A 35 75.246 4.091 -4.447 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.604 3.577 -3.414 1.00 0.00 N ATOM 0 H HIS A 35 79.106 -0.102 -2.137 1.00 0.00 H new ATOM 0 HA HIS A 35 77.276 0.601 -4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.012 1.950 -1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.781 2.817 -3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.236 2.216 -1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 35 74.827 4.761 -5.183 1.00 0.00 H new ATOM 0 HE2 HIS A 35 73.626 3.748 -3.179 1.00 0.00 H new ATOM 537 N PHE A 36 79.085 0.924 -6.023 1.00 0.00 N ATOM 538 CA PHE A 36 80.143 1.023 -7.028 1.00 0.00 C ATOM 539 C PHE A 36 80.170 2.408 -7.673 1.00 0.00 C ATOM 540 O PHE A 36 79.141 2.913 -8.122 1.00 0.00 O ATOM 541 CB PHE A 36 79.959 -0.055 -8.097 1.00 0.00 C ATOM 542 CG PHE A 36 79.998 -1.454 -7.550 1.00 0.00 C ATOM 543 CD1 PHE A 36 78.869 -2.257 -7.583 1.00 0.00 C ATOM 544 CD2 PHE A 36 81.163 -1.965 -7.003 1.00 0.00 C ATOM 545 CE1 PHE A 36 78.903 -3.543 -7.078 1.00 0.00 C ATOM 546 CE2 PHE A 36 81.202 -3.252 -6.498 1.00 0.00 C ATOM 547 CZ PHE A 36 80.071 -4.040 -6.534 1.00 0.00 C ATOM 0 H PHE A 36 78.143 0.843 -6.407 1.00 0.00 H new ATOM 0 HA PHE A 36 81.098 0.868 -6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.006 0.103 -8.601 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.739 0.054 -8.850 1.00 0.00 H new ATOM 0 HD1 PHE A 36 77.953 -1.874 -8.008 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.051 -1.352 -6.970 1.00 0.00 H new ATOM 0 HE1 PHE A 36 78.016 -4.159 -7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 36 82.117 -3.639 -6.076 1.00 0.00 H new ATOM 0 HZ PHE A 36 80.099 -5.044 -6.137 1.00 0.00 H new ATOM 557 N LYS A 37 81.357 3.011 -7.729 1.00 0.00 N ATOM 558 CA LYS A 37 81.521 4.344 -8.314 1.00 0.00 C ATOM 559 C LYS A 37 81.579 4.289 -9.847 1.00 0.00 C ATOM 560 O LYS A 37 82.592 4.636 -10.460 1.00 0.00 O ATOM 561 CB LYS A 37 82.789 5.008 -7.766 1.00 0.00 C ATOM 562 CG LYS A 37 82.740 6.530 -7.787 1.00 0.00 C ATOM 563 CD LYS A 37 84.067 7.130 -8.235 1.00 0.00 C ATOM 564 CE LYS A 37 83.955 7.780 -9.606 1.00 0.00 C ATOM 565 NZ LYS A 37 84.211 6.810 -10.709 1.00 0.00 N ATOM 0 H LYS A 37 82.221 2.598 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 37 80.650 4.937 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.951 4.672 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 37 83.646 4.673 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 37 81.947 6.859 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 37 82.491 6.900 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 37 84.396 7.871 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 37 84.828 6.350 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 37 82.959 8.208 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 37 84.666 8.603 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 83.693 7.108 -11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 85.230 6.780 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.889 5.864 -10.421 1.00 0.00 H new ATOM 579 N VAL A 38 80.483 3.851 -10.457 1.00 0.00 N ATOM 580 CA VAL A 38 80.392 3.756 -11.912 1.00 0.00 C ATOM 581 C VAL A 38 79.047 4.287 -12.401 1.00 0.00 C ATOM 582 O VAL A 38 78.050 4.220 -11.686 1.00 0.00 O ATOM 583 CB VAL A 38 80.567 2.303 -12.416 1.00 0.00 C ATOM 584 CG1 VAL A 38 82.039 1.932 -12.497 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.811 1.324 -11.528 1.00 0.00 C ATOM 0 H VAL A 38 79.640 3.554 -9.965 1.00 0.00 H new ATOM 0 HA VAL A 38 81.204 4.361 -12.315 1.00 0.00 H new ATOM 0 HB VAL A 38 80.146 2.242 -13.420 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.137 0.907 -12.854 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.547 2.606 -13.187 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.491 2.017 -11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.950 0.310 -11.903 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.192 1.389 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.749 1.571 -11.535 1.00 0.00 H new ATOM 595 N LYS A 39 79.027 4.824 -13.616 1.00 0.00 N ATOM 596 CA LYS A 39 77.795 5.357 -14.195 1.00 0.00 C ATOM 597 C LYS A 39 76.905 4.232 -14.730 1.00 0.00 C ATOM 598 O LYS A 39 77.302 3.068 -14.751 1.00 0.00 O ATOM 599 CB LYS A 39 78.117 6.346 -15.319 1.00 0.00 C ATOM 600 CG LYS A 39 78.417 7.753 -14.827 1.00 0.00 C ATOM 601 CD LYS A 39 77.816 8.808 -15.745 1.00 0.00 C ATOM 602 CE LYS A 39 78.648 10.080 -15.750 1.00 0.00 C ATOM 603 NZ LYS A 39 77.793 11.298 -15.784 1.00 0.00 N ATOM 0 H LYS A 39 79.846 4.903 -14.219 1.00 0.00 H new ATOM 0 HA LYS A 39 77.253 5.878 -13.406 1.00 0.00 H new ATOM 0 HB2 LYS A 39 78.974 5.977 -15.881 1.00 0.00 H new ATOM 0 HB3 LYS A 39 77.275 6.384 -16.010 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.021 7.879 -13.819 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.496 7.895 -14.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 77.747 8.413 -16.759 1.00 0.00 H new ATOM 0 HD3 LYS A 39 76.801 9.037 -15.422 1.00 0.00 H new ATOM 0 HE2 LYS A 39 79.281 10.104 -14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 39 79.312 10.077 -16.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 78.396 12.145 -15.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 77.207 11.287 -16.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 77.177 11.314 -14.946 1.00 0.00 H new ATOM 617 N MET A 40 75.701 4.592 -15.172 1.00 0.00 N ATOM 618 CA MET A 40 74.752 3.607 -15.698 1.00 0.00 C ATOM 619 C MET A 40 75.182 3.053 -17.064 1.00 0.00 C ATOM 620 O MET A 40 74.777 1.956 -17.444 1.00 0.00 O ATOM 621 CB MET A 40 73.358 4.226 -15.818 1.00 0.00 C ATOM 622 CG MET A 40 72.449 3.925 -14.635 1.00 0.00 C ATOM 623 SD MET A 40 70.738 3.606 -15.126 1.00 0.00 S ATOM 624 CE MET A 40 70.404 4.993 -16.212 1.00 0.00 C ATOM 0 H MET A 40 75.359 5.553 -15.177 1.00 0.00 H new ATOM 0 HA MET A 40 74.733 2.777 -14.992 1.00 0.00 H new ATOM 0 HB2 MET A 40 73.458 5.306 -15.922 1.00 0.00 H new ATOM 0 HB3 MET A 40 72.885 3.861 -16.730 1.00 0.00 H new ATOM 0 HG2 MET A 40 72.835 3.059 -14.098 1.00 0.00 H new ATOM 0 HG3 MET A 40 72.472 4.766 -13.942 1.00 0.00 H new ATOM 0 HE1 MET A 40 69.327 5.143 -16.289 1.00 0.00 H new ATOM 0 HE2 MET A 40 70.868 5.892 -15.807 1.00 0.00 H new ATOM 0 HE3 MET A 40 70.814 4.788 -17.201 1.00 0.00 H new ATOM 634 N THR A 41 75.995 3.807 -17.807 1.00 0.00 N ATOM 635 CA THR A 41 76.456 3.369 -19.126 1.00 0.00 C ATOM 636 C THR A 41 77.612 2.367 -19.031 1.00 0.00 C ATOM 637 O THR A 41 78.671 2.566 -19.629 1.00 0.00 O ATOM 638 CB THR A 41 76.912 4.564 -19.982 1.00 0.00 C ATOM 639 OG1 THR A 41 76.267 5.766 -19.538 1.00 0.00 O ATOM 640 CG2 THR A 41 76.596 4.322 -21.449 1.00 0.00 C ATOM 0 H THR A 41 76.347 4.720 -17.519 1.00 0.00 H new ATOM 0 HA THR A 41 75.603 2.880 -19.597 1.00 0.00 H new ATOM 0 HB THR A 41 77.991 4.675 -19.870 1.00 0.00 H new ATOM 0 HG1 THR A 41 76.566 6.520 -20.088 1.00 0.00 H new ATOM 0 HG21 THR A 41 76.926 5.178 -22.038 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.114 3.426 -21.790 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.521 4.189 -21.573 1.00 0.00 H new ATOM 648 N THR A 42 77.409 1.293 -18.278 1.00 0.00 N ATOM 649 CA THR A 42 78.437 0.267 -18.113 1.00 0.00 C ATOM 650 C THR A 42 77.847 -1.145 -18.172 1.00 0.00 C ATOM 651 O THR A 42 76.646 -1.337 -17.986 1.00 0.00 O ATOM 652 CB THR A 42 79.209 0.455 -16.793 1.00 0.00 C ATOM 653 OG1 THR A 42 80.398 -0.347 -16.798 1.00 0.00 O ATOM 654 CG2 THR A 42 78.352 0.088 -15.586 1.00 0.00 C ATOM 0 H THR A 42 76.543 1.108 -17.771 1.00 0.00 H new ATOM 0 HA THR A 42 79.131 0.383 -18.946 1.00 0.00 H new ATOM 0 HB THR A 42 79.476 1.509 -16.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 80.882 -0.219 -15.956 1.00 0.00 H new ATOM 0 HG21 THR A 42 78.929 0.233 -14.673 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.467 0.724 -15.561 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.046 -0.956 -15.661 1.00 0.00 H new ATOM 662 N HIS A 43 78.702 -2.127 -18.445 1.00 0.00 N ATOM 663 CA HIS A 43 78.272 -3.526 -18.515 1.00 0.00 C ATOM 664 C HIS A 43 78.249 -4.152 -17.120 1.00 0.00 C ATOM 665 O HIS A 43 79.043 -3.779 -16.253 1.00 0.00 O ATOM 666 CB HIS A 43 79.206 -4.324 -19.427 1.00 0.00 C ATOM 667 CG HIS A 43 78.735 -4.414 -20.847 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.588 -4.363 -21.928 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.492 -4.561 -21.363 1.00 0.00 C ATOM 670 CE1 HIS A 43 78.893 -4.472 -23.046 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.617 -4.594 -22.731 1.00 0.00 N ATOM 0 H HIS A 43 79.696 -1.983 -18.622 1.00 0.00 H new ATOM 0 HA HIS A 43 77.264 -3.553 -18.928 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.194 -3.865 -19.410 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.316 -5.332 -19.026 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.572 -4.638 -20.803 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.299 -4.463 -24.047 1.00 0.00 H new ATOM 0 HE2 HIS A 43 76.849 -4.696 -23.395 1.00 0.00 H new ATOM 679 N LEU A 44 77.353 -5.116 -16.906 1.00 0.00 N ATOM 680 CA LEU A 44 77.237 -5.774 -15.604 1.00 0.00 C ATOM 681 C LEU A 44 78.463 -6.641 -15.258 1.00 0.00 C ATOM 682 O LEU A 44 78.626 -7.036 -14.105 1.00 0.00 O ATOM 683 CB LEU A 44 75.960 -6.615 -15.546 1.00 0.00 C ATOM 684 CG LEU A 44 74.802 -5.996 -14.751 1.00 0.00 C ATOM 685 CD1 LEU A 44 75.193 -5.791 -13.296 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.359 -4.678 -15.372 1.00 0.00 C ATOM 0 H LEU A 44 76.701 -5.457 -17.612 1.00 0.00 H new ATOM 0 HA LEU A 44 77.189 -4.983 -14.855 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.621 -6.801 -16.565 1.00 0.00 H new ATOM 0 HB3 LEU A 44 76.202 -7.584 -15.109 1.00 0.00 H new ATOM 0 HG LEU A 44 73.963 -6.691 -14.787 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.356 -5.351 -12.753 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.451 -6.751 -12.850 1.00 0.00 H new ATOM 0 HD13 LEU A 44 76.053 -5.123 -13.241 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.538 -4.260 -14.790 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.195 -3.978 -15.375 1.00 0.00 H new ATOM 0 HD23 LEU A 44 74.027 -4.851 -16.396 1.00 0.00 H new ATOM 698 N LYS A 45 79.312 -6.943 -16.251 1.00 0.00 N ATOM 699 CA LYS A 45 80.517 -7.760 -16.039 1.00 0.00 C ATOM 700 C LYS A 45 81.376 -7.236 -14.881 1.00 0.00 C ATOM 701 O LYS A 45 81.776 -7.996 -14.000 1.00 0.00 O ATOM 702 CB LYS A 45 81.368 -7.790 -17.314 1.00 0.00 C ATOM 703 CG LYS A 45 80.647 -8.351 -18.529 1.00 0.00 C ATOM 704 CD LYS A 45 81.230 -7.806 -19.823 1.00 0.00 C ATOM 705 CE LYS A 45 80.704 -8.565 -21.031 1.00 0.00 C ATOM 706 NZ LYS A 45 80.670 -7.713 -22.254 1.00 0.00 N ATOM 0 H LYS A 45 79.186 -6.632 -17.214 1.00 0.00 H new ATOM 0 HA LYS A 45 80.178 -8.765 -15.786 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.702 -6.777 -17.539 1.00 0.00 H new ATOM 0 HB3 LYS A 45 82.261 -8.386 -17.128 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.719 -9.439 -18.526 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.588 -8.101 -18.472 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.982 -6.749 -19.919 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.317 -7.876 -19.792 1.00 0.00 H new ATOM 0 HE2 LYS A 45 81.333 -9.437 -21.214 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.701 -8.935 -20.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.699 -7.676 -22.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.987 -6.751 -22.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 81.301 -8.117 -22.976 1.00 0.00 H new ATOM 720 N LYS A 46 81.649 -5.933 -14.889 1.00 0.00 N ATOM 721 CA LYS A 46 82.475 -5.310 -13.853 1.00 0.00 C ATOM 722 C LYS A 46 81.718 -5.137 -12.533 1.00 0.00 C ATOM 723 O LYS A 46 82.332 -5.009 -11.476 1.00 0.00 O ATOM 724 CB LYS A 46 82.986 -3.952 -14.337 1.00 0.00 C ATOM 725 CG LYS A 46 84.416 -3.989 -14.854 1.00 0.00 C ATOM 726 CD LYS A 46 84.973 -2.589 -15.055 1.00 0.00 C ATOM 727 CE LYS A 46 86.391 -2.626 -15.599 1.00 0.00 C ATOM 728 NZ LYS A 46 87.383 -2.124 -14.608 1.00 0.00 N ATOM 0 H LYS A 46 81.311 -5.286 -15.601 1.00 0.00 H new ATOM 0 HA LYS A 46 83.316 -5.978 -13.665 1.00 0.00 H new ATOM 0 HB2 LYS A 46 82.331 -3.588 -15.129 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.923 -3.236 -13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 46 85.044 -4.534 -14.150 1.00 0.00 H new ATOM 0 HG3 LYS A 46 84.449 -4.534 -15.798 1.00 0.00 H new ATOM 0 HD2 LYS A 46 84.333 -2.037 -15.743 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.960 -2.052 -14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 46 86.645 -3.648 -15.880 1.00 0.00 H new ATOM 0 HE3 LYS A 46 86.447 -2.023 -16.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 88.337 -2.167 -15.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 87.157 -1.140 -14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 87.349 -2.715 -13.753 1.00 0.00 H new ATOM 742 N LEU A 47 80.390 -5.125 -12.595 1.00 0.00 N ATOM 743 CA LEU A 47 79.563 -4.957 -11.399 1.00 0.00 C ATOM 744 C LEU A 47 79.334 -6.287 -10.668 1.00 0.00 C ATOM 745 O LEU A 47 79.642 -6.417 -9.481 1.00 0.00 O ATOM 746 CB LEU A 47 78.215 -4.341 -11.781 1.00 0.00 C ATOM 747 CG LEU A 47 77.821 -3.092 -10.992 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.777 -1.877 -11.905 1.00 0.00 C ATOM 749 CD2 LEU A 47 76.478 -3.298 -10.310 1.00 0.00 C ATOM 0 H LEU A 47 79.861 -5.230 -13.461 1.00 0.00 H new ATOM 0 HA LEU A 47 80.097 -4.292 -10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 47 78.237 -4.089 -12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.439 -5.095 -11.648 1.00 0.00 H new ATOM 0 HG LEU A 47 78.574 -2.916 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 47 77.495 -0.997 -11.327 1.00 0.00 H new ATOM 0 HD12 LEU A 47 78.760 -1.720 -12.349 1.00 0.00 H new ATOM 0 HD13 LEU A 47 77.044 -2.042 -12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 47 76.212 -2.400 -9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 47 75.715 -3.498 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 47 76.543 -4.144 -9.626 1.00 0.00 H new ATOM 761 N LYS A 48 78.800 -7.270 -11.392 1.00 0.00 N ATOM 762 CA LYS A 48 78.498 -8.592 -10.830 1.00 0.00 C ATOM 763 C LYS A 48 79.749 -9.292 -10.286 1.00 0.00 C ATOM 764 O LYS A 48 79.735 -9.827 -9.177 1.00 0.00 O ATOM 765 CB LYS A 48 77.837 -9.466 -11.904 1.00 0.00 C ATOM 766 CG LYS A 48 76.652 -10.278 -11.405 1.00 0.00 C ATOM 767 CD LYS A 48 75.628 -10.498 -12.508 1.00 0.00 C ATOM 768 CE LYS A 48 75.264 -11.968 -12.653 1.00 0.00 C ATOM 769 NZ LYS A 48 74.889 -12.315 -14.053 1.00 0.00 N ATOM 0 H LYS A 48 78.564 -7.176 -12.380 1.00 0.00 H new ATOM 0 HA LYS A 48 77.817 -8.447 -9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.506 -8.827 -12.723 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.584 -10.147 -12.312 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.000 -11.241 -11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.182 -9.762 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.730 -9.920 -12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.025 -10.127 -13.453 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.108 -12.583 -12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 48 74.434 -12.203 -11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 74.912 -13.348 -14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 73.930 -11.965 -14.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 75.562 -11.875 -14.712 1.00 0.00 H new ATOM 783 N GLU A 49 80.834 -9.273 -11.061 1.00 0.00 N ATOM 784 CA GLU A 49 82.086 -9.922 -10.655 1.00 0.00 C ATOM 785 C GLU A 49 82.763 -9.207 -9.478 1.00 0.00 C ATOM 786 O GLU A 49 83.561 -9.809 -8.758 1.00 0.00 O ATOM 787 CB GLU A 49 83.051 -9.989 -11.839 1.00 0.00 C ATOM 788 CG GLU A 49 83.633 -11.376 -12.076 1.00 0.00 C ATOM 789 CD GLU A 49 84.288 -11.511 -13.437 1.00 0.00 C ATOM 790 OE1 GLU A 49 83.587 -11.897 -14.397 1.00 0.00 O ATOM 791 OE2 GLU A 49 85.501 -11.233 -13.545 1.00 0.00 O ATOM 0 H GLU A 49 80.874 -8.817 -11.972 1.00 0.00 H new ATOM 0 HA GLU A 49 81.831 -10.929 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.530 -9.664 -12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.867 -9.286 -11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.367 -11.595 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.841 -12.119 -11.983 1.00 0.00 H new ATOM 798 N SER A 50 82.437 -7.934 -9.273 1.00 0.00 N ATOM 799 CA SER A 50 83.036 -7.160 -8.182 1.00 0.00 C ATOM 800 C SER A 50 82.296 -7.399 -6.871 1.00 0.00 C ATOM 801 O SER A 50 82.909 -7.482 -5.807 1.00 0.00 O ATOM 802 CB SER A 50 83.030 -5.667 -8.506 1.00 0.00 C ATOM 803 OG SER A 50 83.982 -5.356 -9.508 1.00 0.00 O ATOM 0 H SER A 50 81.767 -7.417 -9.842 1.00 0.00 H new ATOM 0 HA SER A 50 84.067 -7.496 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 50 82.036 -5.369 -8.840 1.00 0.00 H new ATOM 0 HB3 SER A 50 83.248 -5.096 -7.604 1.00 0.00 H new ATOM 0 HG SER A 50 83.545 -4.861 -10.232 1.00 0.00 H new ATOM 809 N TYR A 51 80.974 -7.498 -6.958 1.00 0.00 N ATOM 810 CA TYR A 51 80.134 -7.730 -5.779 1.00 0.00 C ATOM 811 C TYR A 51 80.482 -9.054 -5.076 1.00 0.00 C ATOM 812 O TYR A 51 80.631 -9.093 -3.853 1.00 0.00 O ATOM 813 CB TYR A 51 78.642 -7.716 -6.169 1.00 0.00 C ATOM 814 CG TYR A 51 77.765 -8.514 -5.233 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.509 -8.074 -3.942 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.211 -9.722 -5.638 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.727 -8.813 -3.081 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.422 -10.466 -4.781 1.00 0.00 C ATOM 819 CZ TYR A 51 76.185 -10.007 -3.504 1.00 0.00 C ATOM 820 OH TYR A 51 75.411 -10.747 -2.638 1.00 0.00 O ATOM 0 H TYR A 51 80.456 -7.422 -7.833 1.00 0.00 H new ATOM 0 HA TYR A 51 80.331 -6.920 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.291 -6.684 -6.192 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.535 -8.111 -7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.929 -7.137 -3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.400 -10.085 -6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.540 -8.458 -2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 51 75.994 -11.401 -5.110 1.00 0.00 H new ATOM 0 HH TYR A 51 75.930 -10.957 -1.833 1.00 0.00 H new ATOM 830 N CYS A 52 80.624 -10.130 -5.851 1.00 0.00 N ATOM 831 CA CYS A 52 80.933 -11.451 -5.286 1.00 0.00 C ATOM 832 C CYS A 52 82.302 -11.477 -4.602 1.00 0.00 C ATOM 833 O CYS A 52 82.486 -12.161 -3.592 1.00 0.00 O ATOM 834 CB CYS A 52 80.877 -12.534 -6.371 1.00 0.00 C ATOM 835 SG CYS A 52 79.396 -12.469 -7.403 1.00 0.00 S ATOM 0 H CYS A 52 80.531 -10.117 -6.867 1.00 0.00 H new ATOM 0 HA CYS A 52 80.175 -11.657 -4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.756 -12.440 -7.009 1.00 0.00 H new ATOM 0 HB3 CYS A 52 80.932 -13.513 -5.895 1.00 0.00 H new ATOM 0 HG CYS A 52 79.434 -11.405 -8.150 1.00 0.00 H new ATOM 841 N GLN A 53 83.256 -10.723 -5.150 1.00 0.00 N ATOM 842 CA GLN A 53 84.607 -10.663 -4.589 1.00 0.00 C ATOM 843 C GLN A 53 84.613 -9.957 -3.225 1.00 0.00 C ATOM 844 O GLN A 53 85.481 -10.212 -2.389 1.00 0.00 O ATOM 845 CB GLN A 53 85.558 -9.962 -5.573 1.00 0.00 C ATOM 846 CG GLN A 53 85.889 -8.521 -5.212 1.00 0.00 C ATOM 847 CD GLN A 53 86.734 -7.829 -6.264 1.00 0.00 C ATOM 848 OE1 GLN A 53 87.836 -8.265 -6.580 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.221 -6.739 -6.812 1.00 0.00 N ATOM 0 H GLN A 53 83.119 -10.146 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 53 84.957 -11.683 -4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.486 -10.531 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.111 -9.981 -6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 53 84.962 -7.964 -5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.417 -8.503 -4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 53 85.301 -6.407 -6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.746 -6.231 -7.524 1.00 0.00 H new ATOM 858 N ARG A 54 83.633 -9.079 -3.003 1.00 0.00 N ATOM 859 CA ARG A 54 83.521 -8.352 -1.738 1.00 0.00 C ATOM 860 C ARG A 54 82.996 -9.267 -0.631 1.00 0.00 C ATOM 861 O ARG A 54 83.427 -9.181 0.517 1.00 0.00 O ATOM 862 CB ARG A 54 82.596 -7.143 -1.900 1.00 0.00 C ATOM 863 CG ARG A 54 83.273 -5.937 -2.534 1.00 0.00 C ATOM 864 CD ARG A 54 83.775 -4.963 -1.481 1.00 0.00 C ATOM 865 NE ARG A 54 84.885 -4.148 -1.974 1.00 0.00 N ATOM 866 CZ ARG A 54 85.699 -3.461 -1.190 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.543 -3.477 0.111 1.00 0.00 N ATOM 868 NH2 ARG A 54 86.673 -2.755 -1.710 1.00 0.00 N ATOM 0 H ARG A 54 82.906 -8.855 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 54 84.515 -8.004 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 54 81.740 -7.431 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.209 -6.859 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.108 -6.270 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 54 82.570 -5.430 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 54 82.958 -4.312 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.096 -5.517 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 54 85.040 -4.107 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.789 -4.023 0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.176 -2.944 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.804 -2.735 -2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.300 -2.226 -1.103 1.00 0.00 H new ATOM 882 N GLN A 55 82.051 -10.136 -0.987 1.00 0.00 N ATOM 883 CA GLN A 55 81.473 -11.084 -0.026 1.00 0.00 C ATOM 884 C GLN A 55 82.427 -12.254 0.249 1.00 0.00 C ATOM 885 O GLN A 55 82.611 -12.654 1.398 1.00 0.00 O ATOM 886 CB GLN A 55 80.128 -11.626 -0.530 1.00 0.00 C ATOM 887 CG GLN A 55 79.167 -10.549 -1.009 1.00 0.00 C ATOM 888 CD GLN A 55 78.004 -10.338 -0.060 1.00 0.00 C ATOM 889 OE1 GLN A 55 76.864 -10.693 -0.363 1.00 0.00 O ATOM 890 NE2 GLN A 55 78.280 -9.758 1.095 1.00 0.00 N ATOM 0 H GLN A 55 81.668 -10.206 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 55 81.312 -10.540 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.312 -12.323 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 55 79.653 -12.192 0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 55 79.709 -9.611 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 55 78.783 -10.821 -1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 55 79.237 -9.478 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 55 77.536 -9.590 1.772 1.00 0.00 H new ATOM 899 N GLY A 56 83.022 -12.802 -0.808 1.00 0.00 N ATOM 900 CA GLY A 56 83.943 -13.917 -0.648 1.00 0.00 C ATOM 901 C GLY A 56 83.328 -15.250 -1.043 1.00 0.00 C ATOM 902 O GLY A 56 83.657 -16.288 -0.471 1.00 0.00 O ATOM 0 H GLY A 56 82.884 -12.495 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 56 84.831 -13.738 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.270 -13.966 0.391 1.00 0.00 H new ATOM 906 N VAL A 57 82.439 -15.219 -2.031 1.00 0.00 N ATOM 907 CA VAL A 57 81.769 -16.432 -2.503 1.00 0.00 C ATOM 908 C VAL A 57 81.864 -16.557 -4.026 1.00 0.00 C ATOM 909 O VAL A 57 82.045 -15.558 -4.726 1.00 0.00 O ATOM 910 CB VAL A 57 80.280 -16.467 -2.083 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.122 -17.106 -0.712 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.671 -15.071 -2.098 1.00 0.00 C ATOM 0 H VAL A 57 82.164 -14.368 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 57 82.283 -17.273 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 57 79.742 -17.076 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.067 -17.120 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.504 -18.127 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.682 -16.530 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.624 -15.127 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.213 -14.430 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.739 -14.655 -3.103 1.00 0.00 H new ATOM 922 N PRO A 58 81.756 -17.793 -4.562 1.00 0.00 N ATOM 923 CA PRO A 58 81.824 -18.041 -6.011 1.00 0.00 C ATOM 924 C PRO A 58 80.707 -17.339 -6.785 1.00 0.00 C ATOM 925 O PRO A 58 79.619 -17.104 -6.253 1.00 0.00 O ATOM 926 CB PRO A 58 81.672 -19.564 -6.130 1.00 0.00 C ATOM 927 CG PRO A 58 82.010 -20.096 -4.779 1.00 0.00 C ATOM 928 CD PRO A 58 81.576 -19.042 -3.802 1.00 0.00 C ATOM 0 HA PRO A 58 82.751 -17.655 -6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.657 -19.837 -6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.339 -19.968 -6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.496 -21.039 -4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 58 83.079 -20.293 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.540 -19.180 -3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.184 -19.055 -2.897 1.00 0.00 H new ATOM 936 N MET A 59 80.979 -17.023 -8.049 1.00 0.00 N ATOM 937 CA MET A 59 80.004 -16.343 -8.906 1.00 0.00 C ATOM 938 C MET A 59 78.774 -17.218 -9.178 1.00 0.00 C ATOM 939 O MET A 59 77.655 -16.718 -9.265 1.00 0.00 O ATOM 940 CB MET A 59 80.657 -15.942 -10.231 1.00 0.00 C ATOM 941 CG MET A 59 80.824 -14.439 -10.396 1.00 0.00 C ATOM 942 SD MET A 59 79.303 -13.627 -10.922 1.00 0.00 S ATOM 943 CE MET A 59 79.872 -12.759 -12.381 1.00 0.00 C ATOM 0 H MET A 59 81.868 -17.227 -8.506 1.00 0.00 H new ATOM 0 HA MET A 59 79.669 -15.451 -8.377 1.00 0.00 H new ATOM 0 HB2 MET A 59 81.635 -16.418 -10.304 1.00 0.00 H new ATOM 0 HB3 MET A 59 80.054 -16.325 -11.054 1.00 0.00 H new ATOM 0 HG2 MET A 59 81.154 -14.008 -9.451 1.00 0.00 H new ATOM 0 HG3 MET A 59 81.608 -14.242 -11.127 1.00 0.00 H new ATOM 0 HE1 MET A 59 79.015 -12.369 -12.930 1.00 0.00 H new ATOM 0 HE2 MET A 59 80.519 -11.933 -12.084 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.430 -13.445 -13.018 1.00 0.00 H new ATOM 953 N ASN A 60 78.985 -18.529 -9.290 1.00 0.00 N ATOM 954 CA ASN A 60 77.886 -19.461 -9.552 1.00 0.00 C ATOM 955 C ASN A 60 77.252 -19.960 -8.246 1.00 0.00 C ATOM 956 O ASN A 60 76.977 -21.150 -8.090 1.00 0.00 O ATOM 957 CB ASN A 60 78.380 -20.648 -10.389 1.00 0.00 C ATOM 958 CG ASN A 60 77.313 -21.186 -11.327 1.00 0.00 C ATOM 959 OD1 ASN A 60 77.362 -20.965 -12.532 1.00 0.00 O ATOM 960 ND2 ASN A 60 76.341 -21.892 -10.776 1.00 0.00 N ATOM 0 H ASN A 60 79.901 -18.969 -9.204 1.00 0.00 H new ATOM 0 HA ASN A 60 77.121 -18.925 -10.114 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.249 -20.341 -10.971 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.709 -21.446 -9.723 1.00 0.00 H new ATOM 0 HD21 ASN A 60 75.596 -22.275 -11.358 1.00 0.00 H new ATOM 0 HD22 ASN A 60 76.336 -22.054 -9.769 1.00 0.00 H new ATOM 967 N SER A 61 77.028 -19.040 -7.313 1.00 0.00 N ATOM 968 CA SER A 61 76.425 -19.382 -6.023 1.00 0.00 C ATOM 969 C SER A 61 75.192 -18.521 -5.734 1.00 0.00 C ATOM 970 O SER A 61 74.289 -18.937 -5.007 1.00 0.00 O ATOM 971 CB SER A 61 77.449 -19.220 -4.895 1.00 0.00 C ATOM 972 OG SER A 61 77.708 -17.851 -4.631 1.00 0.00 O ATOM 0 H SER A 61 77.254 -18.051 -7.423 1.00 0.00 H new ATOM 0 HA SER A 61 76.107 -20.423 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.078 -19.704 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.377 -19.723 -5.168 1.00 0.00 H new ATOM 0 HG SER A 61 78.168 -17.451 -5.398 1.00 0.00 H new ATOM 978 N LEU A 62 75.159 -17.320 -6.306 1.00 0.00 N ATOM 979 CA LEU A 62 74.035 -16.407 -6.104 1.00 0.00 C ATOM 980 C LEU A 62 73.509 -15.866 -7.435 1.00 0.00 C ATOM 981 O LEU A 62 74.241 -15.787 -8.422 1.00 0.00 O ATOM 982 CB LEU A 62 74.442 -15.246 -5.190 1.00 0.00 C ATOM 983 CG LEU A 62 75.925 -14.867 -5.219 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.195 -13.829 -6.298 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.365 -14.350 -3.859 1.00 0.00 C ATOM 0 H LEU A 62 75.895 -16.956 -6.911 1.00 0.00 H new ATOM 0 HA LEU A 62 73.234 -16.971 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 73.856 -14.369 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.171 -15.502 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 62 76.503 -15.760 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.255 -13.574 -6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.917 -14.234 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.607 -12.933 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.422 -14.085 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.778 -13.469 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.211 -15.125 -3.108 1.00 0.00 H new ATOM 997 N ARG A 63 72.233 -15.501 -7.452 1.00 0.00 N ATOM 998 CA ARG A 63 71.599 -14.967 -8.654 1.00 0.00 C ATOM 999 C ARG A 63 71.266 -13.482 -8.498 1.00 0.00 C ATOM 1000 O ARG A 63 70.744 -13.059 -7.466 1.00 0.00 O ATOM 1001 CB ARG A 63 70.319 -15.747 -8.973 1.00 0.00 C ATOM 1002 CG ARG A 63 70.487 -17.259 -8.920 1.00 0.00 C ATOM 1003 CD ARG A 63 69.915 -17.925 -10.161 1.00 0.00 C ATOM 1004 NE ARG A 63 69.511 -19.307 -9.909 1.00 0.00 N ATOM 1005 CZ ARG A 63 68.850 -20.052 -10.779 1.00 0.00 C ATOM 1006 NH1 ARG A 63 68.516 -19.568 -11.953 1.00 0.00 N ATOM 1007 NH2 ARG A 63 68.522 -21.285 -10.479 1.00 0.00 N ATOM 0 H ARG A 63 71.614 -15.565 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 63 72.307 -15.077 -9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 63 69.541 -15.453 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 63 69.972 -15.465 -9.967 1.00 0.00 H new ATOM 0 HG2 ARG A 63 71.545 -17.506 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.989 -17.651 -8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 63 69.055 -17.355 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 63 70.659 -17.905 -10.958 1.00 0.00 H new ATOM 0 HE ARG A 63 69.753 -19.721 -9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 63 68.766 -18.611 -12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 63 68.006 -20.150 -12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 63 68.777 -21.674 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 63 68.012 -21.856 -11.153 1.00 0.00 H new ATOM 1021 N LEU A 64 71.569 -12.699 -9.529 1.00 0.00 N ATOM 1022 CA LEU A 64 71.290 -11.264 -9.514 1.00 0.00 C ATOM 1023 C LEU A 64 70.088 -10.955 -10.410 1.00 0.00 C ATOM 1024 O LEU A 64 70.108 -11.234 -11.609 1.00 0.00 O ATOM 1025 CB LEU A 64 72.522 -10.464 -9.970 1.00 0.00 C ATOM 1026 CG LEU A 64 73.334 -9.825 -8.841 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.421 -10.774 -8.359 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.941 -8.507 -9.298 1.00 0.00 C ATOM 0 H LEU A 64 72.008 -13.033 -10.387 1.00 0.00 H new ATOM 0 HA LEU A 64 71.053 -10.967 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.176 -11.126 -10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.194 -9.678 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 64 72.661 -9.623 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 64 74.987 -10.301 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 64 73.965 -11.692 -7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.091 -11.009 -9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.514 -8.068 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.599 -8.685 -10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 64 73.145 -7.822 -9.592 1.00 0.00 H new ATOM 1040 N LEU A 65 69.037 -10.383 -9.821 1.00 0.00 N ATOM 1041 CA LEU A 65 67.823 -10.070 -10.579 1.00 0.00 C ATOM 1042 C LEU A 65 67.209 -8.722 -10.176 1.00 0.00 C ATOM 1043 O LEU A 65 67.452 -8.210 -9.082 1.00 0.00 O ATOM 1044 CB LEU A 65 66.795 -11.233 -10.484 1.00 0.00 C ATOM 1045 CG LEU A 65 65.908 -11.358 -9.218 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.675 -11.097 -7.933 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.687 -10.454 -9.308 1.00 0.00 C ATOM 0 H LEU A 65 69.000 -10.129 -8.834 1.00 0.00 H new ATOM 0 HA LEU A 65 68.112 -9.966 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.130 -11.154 -11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.346 -12.167 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 65 65.572 -12.394 -9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.003 -11.199 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.488 -11.817 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.085 -10.087 -7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.085 -10.564 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.008 -9.417 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.092 -10.732 -10.178 1.00 0.00 H new ATOM 1059 N PHE A 66 66.421 -8.151 -11.084 1.00 0.00 N ATOM 1060 CA PHE A 66 65.764 -6.866 -10.839 1.00 0.00 C ATOM 1061 C PHE A 66 64.308 -6.898 -11.312 1.00 0.00 C ATOM 1062 O PHE A 66 64.035 -7.195 -12.473 1.00 0.00 O ATOM 1063 CB PHE A 66 66.530 -5.743 -11.552 1.00 0.00 C ATOM 1064 CG PHE A 66 65.872 -4.393 -11.449 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.893 -3.686 -10.259 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.234 -3.836 -12.545 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.288 -2.446 -10.163 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.626 -2.599 -12.457 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.654 -1.903 -11.264 1.00 0.00 C ATOM 0 H PHE A 66 66.221 -8.557 -11.998 1.00 0.00 H new ATOM 0 HA PHE A 66 65.767 -6.675 -9.766 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.534 -5.679 -11.133 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.640 -6.003 -12.605 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.387 -4.107 -9.396 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.212 -4.376 -13.480 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.311 -1.903 -9.230 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.130 -2.177 -13.319 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.181 -0.935 -11.192 1.00 0.00 H new ATOM 1079 N GLU A 67 63.383 -6.612 -10.384 1.00 0.00 N ATOM 1080 CA GLU A 67 61.930 -6.581 -10.655 1.00 0.00 C ATOM 1081 C GLU A 67 61.400 -7.871 -11.314 1.00 0.00 C ATOM 1082 O GLU A 67 60.333 -7.875 -11.932 1.00 0.00 O ATOM 1083 CB GLU A 67 61.557 -5.332 -11.487 1.00 0.00 C ATOM 1084 CG GLU A 67 61.657 -5.501 -13.001 1.00 0.00 C ATOM 1085 CD GLU A 67 60.404 -5.051 -13.728 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.676 -4.192 -13.186 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.154 -5.553 -14.846 1.00 0.00 O ATOM 0 H GLU A 67 63.619 -6.394 -9.416 1.00 0.00 H new ATOM 0 HA GLU A 67 61.436 -6.519 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.537 -5.041 -11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.205 -4.509 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.510 -4.931 -13.370 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.849 -6.549 -13.233 1.00 0.00 H new ATOM 1094 N GLY A 68 62.128 -8.973 -11.147 1.00 0.00 N ATOM 1095 CA GLY A 68 61.710 -10.239 -11.734 1.00 0.00 C ATOM 1096 C GLY A 68 62.477 -10.593 -13.001 1.00 0.00 C ATOM 1097 O GLY A 68 62.368 -11.710 -13.506 1.00 0.00 O ATOM 0 H GLY A 68 62.999 -9.014 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.845 -11.034 -11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.645 -10.193 -11.962 1.00 0.00 H new ATOM 1101 N GLN A 69 63.254 -9.644 -13.511 1.00 0.00 N ATOM 1102 CA GLN A 69 64.040 -9.865 -14.724 1.00 0.00 C ATOM 1103 C GLN A 69 65.467 -10.305 -14.374 1.00 0.00 C ATOM 1104 O GLN A 69 66.066 -9.805 -13.419 1.00 0.00 O ATOM 1105 CB GLN A 69 64.044 -8.584 -15.583 1.00 0.00 C ATOM 1106 CG GLN A 69 65.429 -8.066 -15.960 1.00 0.00 C ATOM 1107 CD GLN A 69 65.520 -6.552 -15.929 1.00 0.00 C ATOM 1108 OE1 GLN A 69 66.263 -5.977 -15.137 1.00 0.00 O ATOM 1109 NE2 GLN A 69 64.767 -5.893 -16.795 1.00 0.00 N ATOM 0 H GLN A 69 63.358 -8.714 -13.105 1.00 0.00 H new ATOM 0 HA GLN A 69 63.583 -10.668 -15.303 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.483 -8.776 -16.498 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.514 -7.800 -15.042 1.00 0.00 H new ATOM 0 HG2 GLN A 69 66.167 -8.484 -15.275 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.685 -8.420 -16.959 1.00 0.00 H new ATOM 0 HE21 GLN A 69 64.162 -6.404 -17.438 1.00 0.00 H new ATOM 0 HE22 GLN A 69 64.792 -4.874 -16.820 1.00 0.00 H new ATOM 1118 N ARG A 70 65.995 -11.255 -15.144 1.00 0.00 N ATOM 1119 CA ARG A 70 67.352 -11.759 -14.919 1.00 0.00 C ATOM 1120 C ARG A 70 68.393 -10.735 -15.372 1.00 0.00 C ATOM 1121 O ARG A 70 68.195 -10.024 -16.359 1.00 0.00 O ATOM 1122 CB ARG A 70 67.559 -13.098 -15.645 1.00 0.00 C ATOM 1123 CG ARG A 70 67.606 -12.988 -17.165 1.00 0.00 C ATOM 1124 CD ARG A 70 66.836 -14.116 -17.838 1.00 0.00 C ATOM 1125 NE ARG A 70 66.563 -13.828 -19.246 1.00 0.00 N ATOM 1126 CZ ARG A 70 67.168 -14.434 -20.257 1.00 0.00 C ATOM 1127 NH1 ARG A 70 68.081 -15.351 -20.041 1.00 0.00 N ATOM 1128 NH2 ARG A 70 66.859 -14.118 -21.491 1.00 0.00 N ATOM 0 H ARG A 70 65.507 -11.691 -15.927 1.00 0.00 H new ATOM 0 HA ARG A 70 67.480 -11.925 -13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.489 -13.547 -15.296 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.753 -13.777 -15.366 1.00 0.00 H new ATOM 0 HG2 ARG A 70 67.189 -12.029 -17.473 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.643 -13.007 -17.499 1.00 0.00 H new ATOM 0 HD2 ARG A 70 67.407 -15.041 -17.761 1.00 0.00 H new ATOM 0 HD3 ARG A 70 65.895 -14.277 -17.312 1.00 0.00 H new ATOM 0 HE ARG A 70 65.864 -13.117 -19.463 1.00 0.00 H new ATOM 0 HH11 ARG A 70 68.333 -15.605 -19.086 1.00 0.00 H new ATOM 0 HH12 ARG A 70 68.539 -15.810 -20.828 1.00 0.00 H new ATOM 0 HH21 ARG A 70 66.152 -13.405 -21.673 1.00 0.00 H new ATOM 0 HH22 ARG A 70 67.325 -14.585 -22.269 1.00 0.00 H new ATOM 1142 N ILE A 71 69.507 -10.659 -14.652 1.00 0.00 N ATOM 1143 CA ILE A 71 70.555 -9.701 -14.991 1.00 0.00 C ATOM 1144 C ILE A 71 71.787 -10.390 -15.591 1.00 0.00 C ATOM 1145 O ILE A 71 72.491 -11.156 -14.924 1.00 0.00 O ATOM 1146 CB ILE A 71 70.945 -8.835 -13.762 1.00 0.00 C ATOM 1147 CG1 ILE A 71 70.037 -7.607 -13.672 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.403 -8.392 -13.822 1.00 0.00 C ATOM 1149 CD1 ILE A 71 69.755 -7.168 -12.256 1.00 0.00 C ATOM 0 H ILE A 71 69.707 -11.242 -13.839 1.00 0.00 H new ATOM 0 HA ILE A 71 70.148 -9.039 -15.755 1.00 0.00 H new ATOM 0 HB ILE A 71 70.817 -9.452 -12.873 1.00 0.00 H new ATOM 0 HG12 ILE A 71 70.500 -6.782 -14.214 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.093 -7.826 -14.171 1.00 0.00 H new ATOM 0 HG21 ILE A 71 72.636 -7.789 -12.945 1.00 0.00 H new ATOM 0 HG22 ILE A 71 73.049 -9.269 -13.841 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.567 -7.801 -14.723 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.105 -6.293 -12.269 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.263 -7.977 -11.715 1.00 0.00 H new ATOM 0 HD13 ILE A 71 70.692 -6.917 -11.759 1.00 0.00 H new ATOM 1161 N ALA A 72 72.008 -10.132 -16.873 1.00 0.00 N ATOM 1162 CA ALA A 72 73.157 -10.680 -17.586 1.00 0.00 C ATOM 1163 C ALA A 72 74.336 -9.704 -17.548 1.00 0.00 C ATOM 1164 O ALA A 72 74.148 -8.490 -17.477 1.00 0.00 O ATOM 1165 CB ALA A 72 72.783 -11.009 -19.023 1.00 0.00 C ATOM 0 H ALA A 72 71.403 -9.543 -17.445 1.00 0.00 H new ATOM 0 HA ALA A 72 73.461 -11.600 -17.088 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.651 -11.417 -19.541 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.978 -11.744 -19.030 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.451 -10.103 -19.529 1.00 0.00 H new ATOM 1171 N ASP A 73 75.548 -10.245 -17.618 1.00 0.00 N ATOM 1172 CA ASP A 73 76.771 -9.450 -17.575 1.00 0.00 C ATOM 1173 C ASP A 73 76.933 -8.563 -18.818 1.00 0.00 C ATOM 1174 O ASP A 73 77.513 -7.481 -18.745 1.00 0.00 O ATOM 1175 CB ASP A 73 77.978 -10.380 -17.425 1.00 0.00 C ATOM 1176 CG ASP A 73 78.036 -11.040 -16.058 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.070 -11.753 -15.701 1.00 0.00 O ATOM 1178 OD2 ASP A 73 79.042 -10.845 -15.348 1.00 0.00 O ATOM 0 H ASP A 73 75.710 -11.248 -17.706 1.00 0.00 H new ATOM 0 HA ASP A 73 76.706 -8.783 -16.715 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.938 -11.150 -18.195 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.893 -9.812 -17.590 1.00 0.00 H new ATOM 1183 N ASN A 74 76.400 -9.015 -19.952 1.00 0.00 N ATOM 1184 CA ASN A 74 76.490 -8.253 -21.201 1.00 0.00 C ATOM 1185 C ASN A 74 75.311 -7.281 -21.348 1.00 0.00 C ATOM 1186 O ASN A 74 74.922 -6.917 -22.459 1.00 0.00 O ATOM 1187 CB ASN A 74 76.548 -9.203 -22.405 1.00 0.00 C ATOM 1188 CG ASN A 74 77.348 -8.624 -23.559 1.00 0.00 C ATOM 1189 OD1 ASN A 74 78.198 -7.755 -23.371 1.00 0.00 O ATOM 1190 ND2 ASN A 74 77.083 -9.104 -24.762 1.00 0.00 N ATOM 0 H ASN A 74 75.903 -9.902 -20.034 1.00 0.00 H new ATOM 0 HA ASN A 74 77.408 -7.667 -21.168 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.992 -10.150 -22.097 1.00 0.00 H new ATOM 0 HB3 ASN A 74 75.535 -9.421 -22.742 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.591 -8.754 -25.574 1.00 0.00 H new ATOM 0 HD22 ASN A 74 76.371 -9.825 -24.878 1.00 0.00 H new ATOM 1197 N HIS A 75 74.751 -6.859 -20.219 1.00 0.00 N ATOM 1198 CA HIS A 75 73.619 -5.933 -20.210 1.00 0.00 C ATOM 1199 C HIS A 75 73.979 -4.626 -19.504 1.00 0.00 C ATOM 1200 O HIS A 75 74.986 -4.547 -18.799 1.00 0.00 O ATOM 1201 CB HIS A 75 72.431 -6.568 -19.491 1.00 0.00 C ATOM 1202 CG HIS A 75 71.571 -7.443 -20.353 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.611 -8.287 -19.838 1.00 0.00 N ATOM 1204 CD2 HIS A 75 71.514 -7.596 -21.700 1.00 0.00 C ATOM 1205 CE1 HIS A 75 70.001 -8.920 -20.822 1.00 0.00 C ATOM 1206 NE2 HIS A 75 70.528 -8.519 -21.964 1.00 0.00 N ATOM 0 H HIS A 75 75.064 -7.145 -19.291 1.00 0.00 H new ATOM 0 HA HIS A 75 73.360 -5.716 -21.246 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.804 -7.159 -18.655 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.812 -5.775 -19.070 1.00 0.00 H new ATOM 0 HD2 HIS A 75 72.128 -7.088 -22.429 1.00 0.00 H new ATOM 0 HE1 HIS A 75 69.206 -9.643 -20.712 1.00 0.00 H new ATOM 0 HE2 HIS A 75 70.250 -8.841 -22.891 1.00 0.00 H new ATOM 1214 N THR A 76 73.150 -3.606 -19.706 1.00 0.00 N ATOM 1215 CA THR A 76 73.349 -2.306 -19.070 1.00 0.00 C ATOM 1216 C THR A 76 72.076 -1.876 -18.339 1.00 0.00 C ATOM 1217 O THR A 76 70.968 -2.209 -18.770 1.00 0.00 O ATOM 1218 CB THR A 76 73.730 -1.207 -20.089 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.586 -0.848 -20.873 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.857 -1.662 -21.006 1.00 0.00 C ATOM 0 H THR A 76 72.329 -3.655 -20.309 1.00 0.00 H new ATOM 0 HA THR A 76 74.173 -2.422 -18.366 1.00 0.00 H new ATOM 0 HB THR A 76 74.078 -0.340 -19.528 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.643 -1.279 -21.751 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.098 -0.865 -21.709 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.738 -1.899 -20.410 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.542 -2.548 -21.557 1.00 0.00 H new ATOM 1228 N PRO A 77 72.209 -1.142 -17.215 1.00 0.00 N ATOM 1229 CA PRO A 77 71.054 -0.670 -16.432 1.00 0.00 C ATOM 1230 C PRO A 77 70.066 0.163 -17.253 1.00 0.00 C ATOM 1231 O PRO A 77 68.854 0.078 -17.056 1.00 0.00 O ATOM 1232 CB PRO A 77 71.685 0.195 -15.340 1.00 0.00 C ATOM 1233 CG PRO A 77 73.090 -0.289 -15.228 1.00 0.00 C ATOM 1234 CD PRO A 77 73.488 -0.734 -16.607 1.00 0.00 C ATOM 0 HA PRO A 77 70.468 -1.509 -16.056 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.652 1.252 -15.605 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.154 0.087 -14.394 1.00 0.00 H new ATOM 0 HG2 PRO A 77 73.748 0.503 -14.869 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.163 -1.112 -14.517 1.00 0.00 H new ATOM 0 HD2 PRO A 77 73.961 0.072 -17.168 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.199 -1.560 -16.574 1.00 0.00 H new ATOM 1242 N LYS A 78 70.590 0.964 -18.185 1.00 0.00 N ATOM 1243 CA LYS A 78 69.745 1.806 -19.034 1.00 0.00 C ATOM 1244 C LYS A 78 68.897 0.963 -19.998 1.00 0.00 C ATOM 1245 O LYS A 78 67.811 1.376 -20.403 1.00 0.00 O ATOM 1246 CB LYS A 78 70.599 2.826 -19.805 1.00 0.00 C ATOM 1247 CG LYS A 78 71.388 2.240 -20.969 1.00 0.00 C ATOM 1248 CD LYS A 78 72.328 3.268 -21.577 1.00 0.00 C ATOM 1249 CE LYS A 78 72.808 2.839 -22.954 1.00 0.00 C ATOM 1250 NZ LYS A 78 72.236 3.691 -24.034 1.00 0.00 N ATOM 0 H LYS A 78 71.590 1.047 -18.370 1.00 0.00 H new ATOM 0 HA LYS A 78 69.059 2.350 -18.385 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.947 3.613 -20.184 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.296 3.296 -19.111 1.00 0.00 H new ATOM 0 HG2 LYS A 78 71.962 1.379 -20.625 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.699 1.879 -21.732 1.00 0.00 H new ATOM 0 HD2 LYS A 78 71.819 4.229 -21.651 1.00 0.00 H new ATOM 0 HD3 LYS A 78 73.186 3.412 -20.920 1.00 0.00 H new ATOM 0 HE2 LYS A 78 73.896 2.889 -22.991 1.00 0.00 H new ATOM 0 HE3 LYS A 78 72.531 1.799 -23.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 72.588 3.365 -24.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 71.198 3.624 -24.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 72.522 4.680 -23.884 1.00 0.00 H new ATOM 1264 N GLU A 79 69.397 -0.220 -20.359 1.00 0.00 N ATOM 1265 CA GLU A 79 68.672 -1.117 -21.257 1.00 0.00 C ATOM 1266 C GLU A 79 67.719 -2.021 -20.468 1.00 0.00 C ATOM 1267 O GLU A 79 66.636 -2.363 -20.941 1.00 0.00 O ATOM 1268 CB GLU A 79 69.652 -1.970 -22.068 1.00 0.00 C ATOM 1269 CG GLU A 79 69.904 -1.439 -23.472 1.00 0.00 C ATOM 1270 CD GLU A 79 71.236 -1.894 -24.040 1.00 0.00 C ATOM 1271 OE1 GLU A 79 72.268 -1.720 -23.351 1.00 0.00 O ATOM 1272 OE2 GLU A 79 71.249 -2.426 -25.168 1.00 0.00 O ATOM 0 H GLU A 79 70.299 -0.578 -20.044 1.00 0.00 H new ATOM 0 HA GLU A 79 68.084 -0.507 -21.943 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.601 -2.026 -21.534 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.265 -2.987 -22.137 1.00 0.00 H new ATOM 0 HG2 GLU A 79 69.101 -1.770 -24.131 1.00 0.00 H new ATOM 0 HG3 GLU A 79 69.874 -0.350 -23.455 1.00 0.00 H new ATOM 1279 N LEU A 80 68.143 -2.409 -19.265 1.00 0.00 N ATOM 1280 CA LEU A 80 67.331 -3.269 -18.395 1.00 0.00 C ATOM 1281 C LEU A 80 66.145 -2.521 -17.769 1.00 0.00 C ATOM 1282 O LEU A 80 65.197 -3.145 -17.291 1.00 0.00 O ATOM 1283 CB LEU A 80 68.206 -3.867 -17.290 1.00 0.00 C ATOM 1284 CG LEU A 80 69.171 -4.962 -17.746 1.00 0.00 C ATOM 1285 CD1 LEU A 80 70.043 -5.421 -16.589 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.404 -6.136 -18.337 1.00 0.00 C ATOM 0 H LEU A 80 69.044 -2.143 -18.868 1.00 0.00 H new ATOM 0 HA LEU A 80 66.921 -4.063 -19.020 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.783 -3.064 -16.831 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.557 -4.276 -16.516 1.00 0.00 H new ATOM 0 HG LEU A 80 69.818 -4.550 -18.520 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.723 -6.200 -16.933 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.620 -4.577 -16.211 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.412 -5.815 -15.792 1.00 0.00 H new ATOM 0 HD21 LEU A 80 69.106 -6.906 -18.656 1.00 0.00 H new ATOM 0 HD22 LEU A 80 67.732 -6.548 -17.584 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.823 -5.796 -19.195 1.00 0.00 H new ATOM 1298 N GLY A 81 66.196 -1.189 -17.771 1.00 0.00 N ATOM 1299 CA GLY A 81 65.111 -0.402 -17.208 1.00 0.00 C ATOM 1300 C GLY A 81 65.328 -0.020 -15.750 1.00 0.00 C ATOM 1301 O GLY A 81 64.401 -0.096 -14.942 1.00 0.00 O ATOM 0 H GLY A 81 66.968 -0.643 -18.152 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.988 0.506 -17.798 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.182 -0.966 -17.293 1.00 0.00 H new ATOM 1305 N MET A 82 66.546 0.392 -15.411 1.00 0.00 N ATOM 1306 CA MET A 82 66.850 0.802 -14.039 1.00 0.00 C ATOM 1307 C MET A 82 66.587 2.298 -13.857 1.00 0.00 C ATOM 1308 O MET A 82 66.532 3.054 -14.827 1.00 0.00 O ATOM 1309 CB MET A 82 68.296 0.458 -13.658 1.00 0.00 C ATOM 1310 CG MET A 82 68.396 -0.737 -12.720 1.00 0.00 C ATOM 1311 SD MET A 82 69.992 -1.571 -12.815 1.00 0.00 S ATOM 1312 CE MET A 82 69.475 -3.238 -13.219 1.00 0.00 C ATOM 0 H MET A 82 67.333 0.452 -16.058 1.00 0.00 H new ATOM 0 HA MET A 82 66.191 0.247 -13.371 1.00 0.00 H new ATOM 0 HB2 MET A 82 68.865 0.250 -14.564 1.00 0.00 H new ATOM 0 HB3 MET A 82 68.757 1.325 -13.184 1.00 0.00 H new ATOM 0 HG2 MET A 82 68.226 -0.404 -11.696 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.605 -1.448 -12.960 1.00 0.00 H new ATOM 0 HE1 MET A 82 70.352 -3.878 -13.312 1.00 0.00 H new ATOM 0 HE2 MET A 82 68.829 -3.620 -12.429 1.00 0.00 H new ATOM 0 HE3 MET A 82 68.929 -3.231 -14.162 1.00 0.00 H new ATOM 1322 N GLU A 83 66.430 2.719 -12.610 1.00 0.00 N ATOM 1323 CA GLU A 83 66.141 4.119 -12.306 1.00 0.00 C ATOM 1324 C GLU A 83 67.067 4.663 -11.220 1.00 0.00 C ATOM 1325 O GLU A 83 67.969 3.964 -10.773 1.00 0.00 O ATOM 1326 CB GLU A 83 64.671 4.289 -11.888 1.00 0.00 C ATOM 1327 CG GLU A 83 64.292 3.567 -10.599 1.00 0.00 C ATOM 1328 CD GLU A 83 63.678 4.493 -9.569 1.00 0.00 C ATOM 1329 OE1 GLU A 83 64.442 5.058 -8.754 1.00 0.00 O ATOM 1330 OE2 GLU A 83 62.440 4.656 -9.574 1.00 0.00 O ATOM 0 H GLU A 83 66.497 2.114 -11.791 1.00 0.00 H new ATOM 0 HA GLU A 83 66.319 4.695 -13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 83 64.461 5.352 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.033 3.926 -12.694 1.00 0.00 H new ATOM 0 HG2 GLU A 83 63.587 2.768 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 83 65.180 3.097 -10.176 1.00 0.00 H new ATOM 1337 N GLU A 84 66.836 5.925 -10.839 1.00 0.00 N ATOM 1338 CA GLU A 84 67.615 6.634 -9.800 1.00 0.00 C ATOM 1339 C GLU A 84 68.159 5.730 -8.672 1.00 0.00 C ATOM 1340 O GLU A 84 69.350 5.786 -8.369 1.00 0.00 O ATOM 1341 CB GLU A 84 66.759 7.746 -9.186 1.00 0.00 C ATOM 1342 CG GLU A 84 66.583 8.957 -10.091 1.00 0.00 C ATOM 1343 CD GLU A 84 65.233 8.979 -10.782 1.00 0.00 C ATOM 1344 OE1 GLU A 84 64.865 7.955 -11.401 1.00 0.00 O ATOM 1345 OE2 GLU A 84 64.542 10.018 -10.704 1.00 0.00 O ATOM 0 H GLU A 84 66.094 6.496 -11.245 1.00 0.00 H new ATOM 0 HA GLU A 84 68.489 7.038 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 84 65.777 7.342 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 84 67.215 8.067 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 84 66.700 9.866 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.372 8.961 -10.843 1.00 0.00 H new ATOM 1352 N GLU A 85 67.297 4.918 -8.040 1.00 0.00 N ATOM 1353 CA GLU A 85 67.740 4.032 -6.948 1.00 0.00 C ATOM 1354 C GLU A 85 68.830 3.053 -7.406 1.00 0.00 C ATOM 1355 O GLU A 85 69.786 2.803 -6.670 1.00 0.00 O ATOM 1356 CB GLU A 85 66.554 3.249 -6.370 1.00 0.00 C ATOM 1357 CG GLU A 85 65.961 3.873 -5.116 1.00 0.00 C ATOM 1358 CD GLU A 85 64.803 4.809 -5.414 1.00 0.00 C ATOM 1359 OE1 GLU A 85 65.052 6.016 -5.616 1.00 0.00 O ATOM 1360 OE2 GLU A 85 63.649 4.332 -5.447 1.00 0.00 O ATOM 0 H GLU A 85 66.303 4.855 -8.261 1.00 0.00 H new ATOM 0 HA GLU A 85 68.165 4.671 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 85 65.776 3.172 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 85 66.877 2.233 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 85 65.620 3.082 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 85 66.739 4.423 -4.587 1.00 0.00 H new ATOM 1367 N ASP A 86 68.682 2.509 -8.625 1.00 0.00 N ATOM 1368 CA ASP A 86 69.665 1.579 -9.212 1.00 0.00 C ATOM 1369 C ASP A 86 70.017 0.388 -8.299 1.00 0.00 C ATOM 1370 O ASP A 86 71.051 -0.258 -8.489 1.00 0.00 O ATOM 1371 CB ASP A 86 70.928 2.345 -9.604 1.00 0.00 C ATOM 1372 CG ASP A 86 70.969 2.686 -11.079 1.00 0.00 C ATOM 1373 OD1 ASP A 86 70.789 1.767 -11.904 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.183 3.871 -11.411 1.00 0.00 O ATOM 0 H ASP A 86 67.883 2.699 -9.230 1.00 0.00 H new ATOM 0 HA ASP A 86 69.197 1.146 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 86 70.987 3.264 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 86 71.804 1.749 -9.348 1.00 0.00 H new ATOM 1379 N VAL A 87 69.170 0.106 -7.311 1.00 0.00 N ATOM 1380 CA VAL A 87 69.427 -0.984 -6.370 1.00 0.00 C ATOM 1381 C VAL A 87 69.032 -2.354 -6.943 1.00 0.00 C ATOM 1382 O VAL A 87 67.917 -2.554 -7.429 1.00 0.00 O ATOM 1383 CB VAL A 87 68.692 -0.742 -5.026 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.205 -0.491 -5.243 1.00 0.00 C ATOM 1385 CG2 VAL A 87 68.906 -1.907 -4.068 1.00 0.00 C ATOM 0 H VAL A 87 68.302 0.615 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 87 70.502 -0.995 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 87 69.120 0.153 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.720 -0.325 -4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.073 0.389 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.757 -1.357 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.380 -1.711 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.520 -2.823 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 87 69.971 -2.022 -3.867 1.00 0.00 H new ATOM 1395 N ILE A 88 69.983 -3.286 -6.891 1.00 0.00 N ATOM 1396 CA ILE A 88 69.777 -4.645 -7.388 1.00 0.00 C ATOM 1397 C ILE A 88 69.630 -5.636 -6.227 1.00 0.00 C ATOM 1398 O ILE A 88 70.262 -5.478 -5.180 1.00 0.00 O ATOM 1399 CB ILE A 88 70.956 -5.089 -8.291 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.222 -4.041 -9.379 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.677 -6.448 -8.918 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.507 -4.266 -10.149 1.00 0.00 C ATOM 0 H ILE A 88 70.913 -3.121 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 88 68.858 -4.642 -7.975 1.00 0.00 H new ATOM 0 HB ILE A 88 71.846 -5.178 -7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.386 -4.039 -10.079 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.255 -3.054 -8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 88 71.518 -6.738 -9.547 1.00 0.00 H new ATOM 0 HG22 ILE A 88 70.539 -7.190 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.773 -6.390 -9.525 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.623 -3.484 -10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.353 -4.238 -9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.471 -5.238 -10.641 1.00 0.00 H new ATOM 1414 N GLU A 89 68.803 -6.662 -6.419 1.00 0.00 N ATOM 1415 CA GLU A 89 68.578 -7.672 -5.382 1.00 0.00 C ATOM 1416 C GLU A 89 69.284 -8.984 -5.731 1.00 0.00 C ATOM 1417 O GLU A 89 69.271 -9.428 -6.878 1.00 0.00 O ATOM 1418 CB GLU A 89 67.075 -7.922 -5.174 1.00 0.00 C ATOM 1419 CG GLU A 89 66.731 -8.452 -3.788 1.00 0.00 C ATOM 1420 CD GLU A 89 65.277 -8.224 -3.420 1.00 0.00 C ATOM 1421 OE1 GLU A 89 64.912 -7.066 -3.127 1.00 0.00 O ATOM 1422 OE2 GLU A 89 64.501 -9.207 -3.424 1.00 0.00 O ATOM 0 H GLU A 89 68.278 -6.817 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 89 68.999 -7.288 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.534 -6.991 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.726 -8.633 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.949 -9.519 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.369 -7.967 -3.049 1.00 0.00 H new ATOM 1429 N VAL A 90 69.913 -9.595 -4.729 1.00 0.00 N ATOM 1430 CA VAL A 90 70.627 -10.856 -4.926 1.00 0.00 C ATOM 1431 C VAL A 90 69.977 -12.000 -4.142 1.00 0.00 C ATOM 1432 O VAL A 90 69.546 -11.819 -3.005 1.00 0.00 O ATOM 1433 CB VAL A 90 72.107 -10.733 -4.495 1.00 0.00 C ATOM 1434 CG1 VAL A 90 72.894 -11.969 -4.895 1.00 0.00 C ATOM 1435 CG2 VAL A 90 72.737 -9.485 -5.093 1.00 0.00 C ATOM 0 H VAL A 90 69.943 -9.238 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 90 70.576 -11.080 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 90 72.136 -10.649 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 90 73.932 -11.857 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.462 -12.847 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 90 72.854 -12.091 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 90 73.778 -9.416 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.690 -9.539 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.195 -8.604 -4.750 1.00 0.00 H new ATOM 1445 N TYR A 91 69.909 -13.175 -4.764 1.00 0.00 N ATOM 1446 CA TYR A 91 69.329 -14.357 -4.122 1.00 0.00 C ATOM 1447 C TYR A 91 70.332 -15.510 -4.113 1.00 0.00 C ATOM 1448 O TYR A 91 70.864 -15.890 -5.156 1.00 0.00 O ATOM 1449 CB TYR A 91 68.034 -14.791 -4.822 1.00 0.00 C ATOM 1450 CG TYR A 91 66.825 -13.963 -4.441 1.00 0.00 C ATOM 1451 CD1 TYR A 91 65.968 -13.465 -5.414 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.543 -13.677 -3.110 1.00 0.00 C ATOM 1453 CE1 TYR A 91 64.867 -12.705 -5.074 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.442 -12.918 -2.762 1.00 0.00 C ATOM 1455 CZ TYR A 91 64.607 -12.436 -3.745 1.00 0.00 C ATOM 1456 OH TYR A 91 63.513 -11.676 -3.403 1.00 0.00 O ATOM 0 H TYR A 91 70.248 -13.336 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 91 69.088 -14.090 -3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.178 -14.731 -5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 91 67.836 -15.836 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.166 -13.676 -6.454 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.195 -14.054 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.212 -12.323 -5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 91 65.237 -12.704 -1.723 1.00 0.00 H new ATOM 0 HH TYR A 91 63.720 -10.727 -3.534 1.00 0.00 H new ATOM 1466 N GLN A 92 70.586 -16.066 -2.932 1.00 0.00 N ATOM 1467 CA GLN A 92 71.536 -17.169 -2.788 1.00 0.00 C ATOM 1468 C GLN A 92 70.908 -18.503 -3.201 1.00 0.00 C ATOM 1469 O GLN A 92 69.838 -18.876 -2.721 1.00 0.00 O ATOM 1470 CB GLN A 92 72.037 -17.251 -1.344 1.00 0.00 C ATOM 1471 CG GLN A 92 73.349 -16.517 -1.109 1.00 0.00 C ATOM 1472 CD GLN A 92 73.679 -16.364 0.364 1.00 0.00 C ATOM 1473 OE1 GLN A 92 73.548 -15.282 0.932 1.00 0.00 O ATOM 1474 NE2 GLN A 92 74.114 -17.443 0.991 1.00 0.00 N ATOM 0 H GLN A 92 70.148 -15.772 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 92 72.379 -16.972 -3.450 1.00 0.00 H new ATOM 0 HB2 GLN A 92 71.276 -16.839 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.163 -18.299 -1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.156 -17.057 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 92 73.296 -15.531 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.209 -18.323 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 92 74.354 -17.395 1.981 1.00 0.00 H new ATOM 1483 N GLU A 93 71.589 -19.220 -4.090 1.00 0.00 N ATOM 1484 CA GLU A 93 71.101 -20.511 -4.571 1.00 0.00 C ATOM 1485 C GLU A 93 72.236 -21.535 -4.640 1.00 0.00 C ATOM 1486 O GLU A 93 72.582 -22.026 -5.716 1.00 0.00 O ATOM 1487 CB GLU A 93 70.452 -20.350 -5.949 1.00 0.00 C ATOM 1488 CG GLU A 93 69.060 -20.960 -6.046 1.00 0.00 C ATOM 1489 CD GLU A 93 69.053 -22.295 -6.764 1.00 0.00 C ATOM 1490 OE1 GLU A 93 69.029 -22.296 -8.015 1.00 0.00 O ATOM 1491 OE2 GLU A 93 69.071 -23.338 -6.078 1.00 0.00 O ATOM 0 H GLU A 93 72.480 -18.930 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 93 70.354 -20.877 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.391 -19.289 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.094 -20.811 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.654 -21.090 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.400 -20.268 -6.569 1.00 0.00 H new